format-version: 1.2 data-version: release/2019-08-22 ontology: xlmod date: 22:08:2019 10:17 saved-by: Gerhard Mayer auto-generated-by: OBO-Edit 2.3.1 default-namespace: XLMOD remark: version: 1.1.11 remark: coverage: cross-linking reagents, cross-linker related post-translational modifications, and derivatization reagents for GC-MS and LC-MS remark: creator: Lutz Fischer staffmail.ed.ac.uk> remark: creator: Alexander Leitner imsb.biol.ethz.ch> remark: creator: Nils Hoffmann isas.de> remark: creator: Gerhard Mayer rub.de> remark: This work is licensed under the Creative Commons Attribution 4.0 International (CC BY 4.0) license. remark: To view a copy of this license, visit https://creativecommons.org/licenses/by/4.0/ or send a letter to Creative Commons, 444 Castro Street, Suite 900, Mountain View, California, 94041, USA. [Typedef] id: part_of name: part_of is_transitive: true def: "The basic part of relationship indicating a top-level branch of this ontology." [OBO:defs] [Typedef] id: is_activatable name: is_activatable def: "Indicates how the cross-linking reagent can be activated." [OBO:defs] [Typedef] id: is_analog_of name: is_analog_of def: "Indicates biochemical analogues of nucleobases, nucleosides or amino acids." [OBO:defs] [Typedef] id: is_cleavable name: is_cleavable def: "Indicates that the cross-linking reagent is cleavable." [OBO:defs] [Typedef] id: is_labelled name: is_labelled def: "Indicates that the cross-linking or derivatization reagent has an isotopic label." [OBO:defs] [Typedef] id: is_partially_reacted name: is_partially_reacted def: "Specifies the type of the cross-linker related chemical modification." [OBO:defs] [Typedef] id: is_reactive_with name: is_reactive_with def: "Indicates the chemical group that can react with the cross-linking or derivatization reagent." [OBO:defs] [Typedef] id: is_side_product_of name: is_side_product_of def: "Indicates the cross-linking reagent from which the chemical modification is derived." [OBO:defs] [Typedef] id: has_handle name: has_handle def: "Indicates that the cross-linking reagent has a handle that can be used for detection/identification, enrichment or purification." [OBO:defs] [Typedef] id: has_click_enabled_linker name: has_click_enabled_linker def: "Indicates that the cross-linking reagent has a linker that can be enabled by click chemistry." [OBO:defs] [Typedef] id: has_neutral_loss_reporter name: has_neutral_loss_reporter def: "Indicates that the cross-linking reagent has a neutral loss reporter." [OBO:defs] [Typedef] id: has_property name: has_property def: "Indicates a property of a cross-linking or derivatization reagent." [OBO:defs] [Typedef] id: has_chromophore name: has_chromophore def: "Indicates that the derivatization reagent can be detected by the specified chromophore." [OBO:defs] [Typedef] id: has_electrophore name: has_electrophore def: "Indicates that the derivatization reagent can be detected by the specified electrophore." [OBO:defs] [Typedef] id: has_fluorophore name: has_fluorophore def: "Indicates that the derivatization reagent can be detected by the specified fluorophore." [OBO:defs] [Typedef] id: has_reactive_group name: has_reactive_group def: "Indicates that the cross-linking or derivatization reagent has the specified reactive group." [OBO:defs] [Term] id: XLMOD:00000 name: Proteomics Standards Initiative cross-linking and derivatization controlled vocabulary def: "Proteomics Standards Initiative cross-linking and derivatization controlled vocabulary." [PSI:XL] [Term] id: XLMOD:00001 name: cross-linking entity def: "Entity relevant to the domain of cross-linking in proteomics." [PSI:XL] relationship: part_of XLMOD:00000 ! Proteomics Standards Initiative cross-linking and derivatization controlled vocabulary [Term] id: XLMOD:00002 name: cross-linker related chemical modification def: "Dead-end modification resulting from a cross-linker reagent reacting only with one peptide." [PSI:XL] relationship: part_of XLMOD:00000 ! Proteomics Standards Initiative cross-linking and derivatization controlled vocabulary [Term] id: XLMOD:00003 name: label transfer reagent def: "A cross-linker acting as label transfer reagent." [PSI:XL] relationship: part_of XLMOD:00000 ! Proteomics Standards Initiative cross-linking and derivatization controlled vocabulary [Term] id: XLMOD:00004 name: cross-linker def: "Compound that can link two or more polymer chains." [PSI:XL] is_a: XLMOD:00001 ! cross-linking entity [Term] id: XLMOD:00005 name: homofunctional cross-linker def: "A cross-linking reagent with identical reactive groups at each end of the spacer arm." [PSI:XL] is_a: XLMOD:00004 ! cross-linker [Term] id: XLMOD:00006 name: heterofunctional cross-linker def: "A cross-linking reagent with at least two different reactive groups." [PSI:XL] is_a: XLMOD:00004 ! cross-linker [Term] id: XLMOD:00007 name: photoreactive cross-linker def: "OBSOLETE A cross-linking reagent that becomes reactive when exposed to ultraviolet or visible light." [PSI:XL] comment: This term was made obsolete because photo-reactivity is now encoded for the reactive groups of the cross-linkers, see (XLMOD:00108). is_obsolete: true [Term] id: XLMOD:00008 name: zero-length cross-linker def: "A cross-linking reagent causing direct conjugation without becoming part of the final cross-link between the target molecules." [PSI:XL] is_a: XLMOD:00004 ! cross-linker [Term] id: XLMOD:00009 name: cross-linking attribute def: "An attribute describing a cross-linker." [PSI:XL] is_a: XLMOD:00001 ! cross-linking entity [Term] id: XLMOD:00010 name: deuterium labelled def: "Indicates that a cross-linker is deuterium labelled." [PSI:XL] is_a: XLMOD:00009 ! cross-linking attribute [Term] id: XLMOD:00011 name: hydrolyzed def: "Indicates that a cross-linker is hydrolyzed, for example for NHS-type reagents -C(=O)-NHS was converted to -C(=O)-OH." [PSI:XL] is_a: XLMOD:00009 ! cross-linking attribute [Term] id: XLMOD:00012 name: amidated def: "Indicates that a cross-linker is amidated." [PSI:XL] is_a: XLMOD:00009 ! cross-linking attribute [Term] id: XLMOD:00013 name: membrane permeable def: "Indicates that a cross-linker is membrane permeable." [PSI:XL] is_a: XLMOD:00009 ! cross-linking attribute [Term] id: XLMOD:00014 name: hydrophilic def: "Indicates that a cross-linker is hydrophilic." [PSI:XL] is_a: XLMOD:00009 ! cross-linking attribute [Term] id: XLMOD:00015 name: fluorescent def: "Indicates that a cross-linker is fluorescent." [PSI:XL] is_a: XLMOD:00009 ! cross-linking attribute [Term] id: XLMOD:00016 name: cleavable def: "Indicates that a cross-linker is cleavable." [PSI:XL] is_a: XLMOD:00009 ! cross-linking attribute [Term] id: XLMOD:00017 name: chemically cleavable def: "Indicates that a cross-linker is chemically cleavable." [PSI:XL] is_a: XLMOD:00016 ! cleavable [Term] id: XLMOD:00018 name: cleavable by MS2 labile bond def: "Indicates that a cross-linker is mass-spectrometrically cleavable, i.e. contains a MS2 labile bond leading to fragments detected in MS3." [PSI:XL] is_a: XLMOD:00016 ! cleavable [Term] id: XLMOD:00019 name: enrichable def: "Indicates that a cross-linker facilitates enrichment." [PSI:XL] is_a: XLMOD:00009 ! cross-linking attribute [Term] id: XLMOD:00020 name: iodinatable def: "Indicates that a cross-linker is iodinatable, e.g. for autoradiographic detection by radio-labelling with J-131." [PSI:XL] is_a: XLMOD:00009 ! cross-linking attribute [Term] id: XLMOD:00021 name: ammonium amidated def: "Indicates a dead-end modification that was amidated by an ammonium salt, like e.g. bicarbonate, phosphate, chloride, for example for NHS-type reagents -C(=O)-NHS was converted to -C(=O)-NH2." [PSI:XL] is_a: XLMOD:00012 ! amidated [Term] id: XLMOD:00022 name: Tris amidated def: "Indicates a dead-end modification that was amidated by Tris(hydroxymethyl)-aminomethane, for example for NHS-type reagents -C(=O)-NHS was converted to -C(=O)-NHC(CH2OH)3." [PSI:XL] is_a: XLMOD:00012 ! amidated [Term] id: XLMOD:00023 name: cleavable S-S bond def: "Indicates that a cross-linker contains a cleavable S-S bond, which is chemically cleavable by reducing agents like e.g. thiols, beta-mercaptoethanol, dithiothreitol (DTT), mercaptomethylamine or Tris(2-carboxyethyl)phosphin (TCEP)." [PSI:XL] is_a: XLMOD:00017 ! chemically cleavable relationship: is_cleavable XLMOD:00041 ! thiol cleavable relationship: is_cleavable XLMOD:00038 ! DTT cleavable relationship: is_cleavable XLMOD:00042 ! TCEP cleavable relationship: is_cleavable XLMOD:00043 ! mercaptoethanol cleavable [Term] id: XLMOD:00024 name: periodate cleavable def: "Indicates that a cross-linker is chemically cleavable by the oxidizing agent periodate." [PSI:XL] is_a: XLMOD:00017 ! chemically cleavable [Term] id: XLMOD:00025 name: hydroxylamine cleavable def: "Indicates that a cross-linker is chemically cleavable by hydroxylamine." [PSI:XL] is_a: XLMOD:00017 ! chemically cleavable [Term] id: XLMOD:00026 name: reactive group attribute def: "An attribute describing a reactive group." [PSI:XL] relationship: part_of XLMOD:00001 ! cross-linking entity [Term] id: XLMOD:00027 name: chemically reactive def: "Indicates that a reactive group reacts with specific functional groups." [PSI:XL] is_a: XLMOD:00026 ! reactive group attribute [Term] id: XLMOD:00028 name: primary amine reactive def: "Indicates that a reactive group is reactive with primary amino (-NH2) groups." [PSI:XL] is_a: XLMOD:00027 ! chemically reactive [Term] id: XLMOD:00029 name: sulfhydryl reactive def: "Indicates that a reactive group is reactive with sulfhydryl (-SH) groups." [PSI:XL] is_a: XLMOD:00027 ! chemically reactive [Term] id: XLMOD:00030 name: carboxyl reactive def: "Indicates that a reactive group is reactive with carboxyl (-COOH) groups." [PSI:XL] is_a: XLMOD:00027 ! chemically reactive [Term] id: XLMOD:00031 name: aldehyde reactive def: "Indicates that a reactive group is reactive with aldehyde (-CHO) or carbonyl (-CO) groups." [PSI:XL] is_a: XLMOD:00027 ! chemically reactive [Term] id: XLMOD:00032 name: hydroxyl reactive def: "Indicates that a reactive group is reactive with hydroxyl (-OH) groups." [PSI:XL] is_a: XLMOD:00027 ! chemically reactive [Term] id: XLMOD:00033 name: azide reactive def: "Indicates that a reactive group is reactive with azide (-N3) groups." [PSI:XL] is_a: XLMOD:00027 ! chemically reactive [Term] id: XLMOD:00034 name: photo cleavable def: "Indicates that a cross-linker is cleavable by light." [PSI:XL] is_a: XLMOD:00016 ! cleavable [Term] id: XLMOD:00035 name: CID cleavable def: "Indicates that a cross-linker is mass-spectrometrically cleavable by collission induced dissociation." [PSI:XL] is_a: XLMOD:00016 ! cleavable [Term] id: XLMOD:00036 name: 13C labelled def: "Indicates that a cross-linker is labelled with carbon-13." [PSI:XL] is_a: XLMOD:00009 ! cross-linking attribute [Term] id: XLMOD:00037 name: non-selective def: "Indicates that a cross-linker is non-selective (i.e. can react with different amino acids, but also with DNA/RNA and carbohydrates (aldehyde reactive))." [PSI:XL] is_a: XLMOD:00026 ! reactive group attribute [Term] id: XLMOD:00038 name: DTT cleavable def: "Indicates that a cross-linker is chemically cleavable by the reducing agent DTT (dithiothreitol)." [PSI:XL] is_a: XLMOD:00017 ! chemically cleavable [Term] id: XLMOD:00039 name: ammonium cleavable def: "Indicates that a cross-linker is chemically cleavable by ammonium hydroxide." [PSI:XL] is_a: XLMOD:00017 ! chemically cleavable [Term] id: XLMOD:00040 name: ISD cleavable def: "Indicates that a cross-linker is mass-spectrometrically cleavable by in-source decay." [PSI:XL] is_a: XLMOD:00016 ! cleavable [Term] id: XLMOD:00041 name: thiol cleavable def: "Indicates that a cross-linker is mass-spectrometrically cleavable (reducible) by thiols." [PSI:XL] synonym: "DTT cleavable" RELATED [] synonym: "TCEP cleavable" RELATED [] synonym: "mercaptoethanol cleavable" RELATED [] is_a: XLMOD:00016 ! cleavable [Term] id: XLMOD:00042 name: TCEP cleavable def: "Indicates that a cross-linker is chemically cleavable by the reducing agent TCEP (Tris(2-carboxyethyl)phosphin)." [PSI:XL] is_a: XLMOD:00017 ! chemically cleavable [Term] id: XLMOD:00043 name: mercaptoethanol cleavable def: "Indicates that a cross-linker is chemically cleavable by the reducing agent mercaptoethanol." [PSI:XL] is_a: XLMOD:00017 ! chemically cleavable [Term] id: XLMOD:00044 name: mass defect labelled def: "Indicates that a cross-linker is mass defect labelled." [PSI:XL] is_a: XLMOD:00009 ! cross-linking attribute [Term] id: XLMOD:00045 name: thioether reactive def: "Indicates that a reactive group is reactive with thioether (R1-S-R2) groups." [PSI:XL] is_a: XLMOD:00027 ! chemically reactive [Term] id: XLMOD:00046 name: imidazole reactive def: "Indicates that a reactive group is reactive with the heterocyclic imidazole groups." [PSI:XL] is_a: XLMOD:00027 ! chemically reactive [Term] id: XLMOD:00047 name: thioesterized def: "Indicates that a cross-linker is thioesterized." [PSI:XL] is_a: XLMOD:00009 ! cross-linking attribute [Term] id: XLMOD:00048 name: nucleic acid reactive def: "Indicates that a reactive group is reactive with RNA or DNA." [PSI:XL] is_a: XLMOD:00027 ! chemically reactive [Term] id: XLMOD:00049 name: amino acid derivative def: "An amino acid derivative used in cross-linking experiments." [PSI:XL] is_a: XLMOD:00001 ! cross-linking entity [Term] id: XLMOD:00050 name: handle def: "A handle attached to a cross-linker used for detection, affinity enrichment or purification." [PSI:XL] is_a: XLMOD:00001 ! cross-linking entity relationship: part_of XLMOD:00004 ! cross-linker [Term] id: XLMOD:00051 name: biotin def: "A Biotin affinity handle, enrichable with avidin, streptavidin or neutravidin, attached to a cross-linker." [PSI:XL] is_a: XLMOD:00050 ! handle is_a: XLMOD:00019 ! enrichable [Term] id: XLMOD:00052 name: NO2 neutral loss reporter def: "A NO2 detection tag." [PMID:19496583] is_a: XLMOD:00050 ! handle [Term] id: XLMOD:00053 name: alkyne def: "An alkyne (hadrocarbon with at least one C-C triple bond) tag, e.g. BARAC (biarylazacycloctynone) to enable enrichment of cross-linked peptides by either coupling of an affinity group with alkyne-azido click chemistry or by using immobilized azide linkers." [PMID:19496583] is_a: XLMOD:00050 ! handle is_a: XLMOD:00019 ! enrichable [Term] id: XLMOD:00054 name: DNB def: "A dinitrobenzole affinity handle for enrichment with anti-DNB antibodies, attached to a cross-linker." [PSI:XL] is_a: XLMOD:00050 ! handle is_a: XLMOD:00019 ! enrichable [Term] id: XLMOD:00055 name: azide def: "A photoreactive azide (-N3) tag to enable enrichment of cross-linked peptides with either immobilized alkyne linkers or by azide-alkyne click chemistry using biotin-alkyne respective biotin-phosphine." [PMID:20472459] is_a: XLMOD:00050 ! handle is_a: XLMOD:00019 ! enrichable is_a: XLMOD:00100 ! reactive group relationship: is_activatable XLMOD:00149 ! photoactivatable relationship: is_reactive_with XLMOD:00037 ! non-selective [Term] id: XLMOD:00056 name: CHCA def: "An alpha-cyano-4-hydroxycinnamic acid UV-absorbing label for signal enhancement." [PMID:19902427] is_a: XLMOD:00050 ! handle [Term] id: XLMOD:00057 name: generic neutral loss reporter def: "A generic neutral loss reporter." [PXI:XL] is_a: XLMOD:00050 ! handle [Term] id: XLMOD:00058 name: amino acid def: "An amino acid compound." [PSI:XL] is_a: XLMOD:00001 ! cross-linking entity [Term] id: XLMOD:00059 name: L-Leucine def: "The amino acid L-Leucine." [PXI:XL] is_a: XLMOD:00058 ! amino acid [Term] id: XLMOD:00060 name: L-Methionine def: "The amino acid L-Methionine." [PXI:XL] is_a: XLMOD:00058 ! amino acid [Term] id: XLMOD:00061 name: base cleavable def: "Indicates that a cross-linker is chemically cleavable by bases." [PSI:XL] is_a: XLMOD:00017 ! chemically cleavable [Term] id: XLMOD:00062 name: hydrazine reactive def: "Indicates that a reactive group is reactive with hydrazines (N2H4)." [PSI:XL] is_a: XLMOD:00027 ! chemically reactive [Term] id: XLMOD:00063 name: carbonyl reactive def: "Indicates that a reactive group is reactive with carbonyl (R1-CO-R2) groups." [PSI:XL] is_a: XLMOD:00027 ! chemically reactive [Term] id: XLMOD:00064 name: oxidized def: "Indicates that a cross-linker is oxidized, e.g. by oxidizing a carbonyl to a carboxyl functional group." [PSI:XL] is_a: XLMOD:00009 ! cross-linking attribute [Term] id: XLMOD:00065 name: alkenized def: "Indicates that a cross-linker is modified to it's alkene form (loss of two hydrogen atoms by forming a C=C double bond)." [PSI:XL] is_a: XLMOD:00009 ! cross-linking attribute [Term] id: XLMOD:00066 name: acid cleavable def: "Indicates that a cross-linker is chemically cleavable by acids." [PSI:XL] is_a: XLMOD:00017 ! chemically cleavable [Term] id: XLMOD:00067 name: CID cleavable C-S bond def: "Indicates that a cross-linker contains a CID (Collision Induced Dissociation) cleavable C-S bond." [PSI:XL] is_a: XLMOD:00035 ! CID cleavable relationship: is_cleavable XLMOD:00018 ! cleavable by MS2 labile bond [Term] id: XLMOD:00068 name: L-Isoleucine def: "The amino acid L-Isoleucine." [PXI:XL] is_a: XLMOD:00058 ! amino acid [Term] id: XLMOD:00069 name: 18O labelled def: "Indicates that a cross-linker is labelled with oxygen-18." [PSI:XL] is_a: XLMOD:00009 ! cross-linking attribute [Term] id: XLMOD:00070 name: L-Phenylalanine def: "The amino acid L-Phenylalanine." [PXI:XL] is_a: XLMOD:00058 ! amino acid [Term] id: XLMOD:00071 name: iminobiotintrifluoroacetamide def: "A Iminobiotin trifluoroacetamide affinity handle, enrichable with avidin, streptavidin or neutravidin, attached to a cross-linker." [PSI:XL] is_a: XLMOD:00050 ! handle is_a: XLMOD:00019 ! enrichable relationship: is_reactive_with XLMOD:00072 ! avidin reactive [Term] id: XLMOD:00072 name: avidin reactive def: "Indicates that a reactive group is reactive with either of the glycoproteins avidin, streptavidin or neutravidin." [PSI:XL] is_a: XLMOD:00027 ! chemically reactive [Term] id: XLMOD:00073 name: nucleobase def: "A nitrogeneous base occurring in nucleic acids." [PSI:XL] is_a: XLMOD:00001 ! cross-linking entity [Term] id: XLMOD:00074 name: purine base def: "A purine base occurring in nucleic acids." [PSI:XL] is_a: XLMOD:00073 ! nucleobase [Term] id: XLMOD:00075 name: pyrimidine base def: "A pyrimidine base occurring in nucleic acids." [PSI:XL] is_a: XLMOD:00073 ! nucleobase [Term] id: XLMOD:00076 name: adenine def: "The nucleobase adenine." [PXI:XL] is_a: XLMOD:00074 ! purine base [Term] id: XLMOD:00077 name: guanine def: "The nucleobase guanine." [PXI:XL] is_a: XLMOD:00074 ! purine base [Term] id: XLMOD:00078 name: cytosine def: "The nucleobase cytosine." [PXI:XL] is_a: XLMOD:00075 ! pyrimidine base [Term] id: XLMOD:00079 name: thymine def: "The nucleobase thymine." [PXI:XL] is_a: XLMOD:00075 ! pyrimidine base [Term] id: XLMOD:00080 name: uracil def: "The nucleobase uracil." [PXI:XL] is_a: XLMOD:00075 ! pyrimidine base [Term] id: XLMOD:00081 name: nucleobase derivative def: "A nucleobase derivative used in cross-linking experiments for protein-oligonucleotide cross-linking." [PSI:XL] is_a: XLMOD:00001 ! cross-linking entity relationship: is_analog_of XLMOD:00073 ! nucleobase [Term] id: XLMOD:00082 name: nucleoside def: "A combination of a nucleobase and a sugar (either ribose or deoxyribose)." [PSI:XL] is_a: XLMOD:00001 ! cross-linking entity [Term] id: XLMOD:00083 name: adenosine def: "The nucleoside adenosine." [PXI:XL] is_a: XLMOD:00082 ! nucleoside [Term] id: XLMOD:00084 name: guanosine def: "The nucleoside guanosine." [PXI:XL] is_a: XLMOD:00082 ! nucleoside [Term] id: XLMOD:00085 name: cytidine def: "The nucleoside cytidine." [PXI:XL] is_a: XLMOD:00082 ! nucleoside [Term] id: XLMOD:00086 name: uridine def: "The nucleoside uridine." [PXI:XL] is_a: XLMOD:00082 ! nucleoside [Term] id: XLMOD:00087 name: 5-methyluridine def: "The nucleoside 5-methyluridine." [PXI:XL] is_a: XLMOD:00082 ! nucleoside [Term] id: XLMOD:00088 name: nucleoside derivative def: "A nucleoside derivative used in cross-linking experiments for protein-oligonucleotide cross-linking." [PSI:XL] is_a: XLMOD:00001 ! cross-linking entity relationship: is_analog_of XLMOD:00082 ! nucleoside [Term] id: XLMOD:00089 name: RNA-SH def: "Thiol-modified RNA." [PSI:XL] is_a: XLMOD:00001 ! cross-linking entity [Term] id: XLMOD:00090 name: biotin-alkyne def: "A biotin-alkyne affinity handle, which can be used for enrichment with click-chemistry." [PSI:XL] is_a: XLMOD:00050 ! handle is_a: XLMOD:00019 ! enrichable relationship: is_reactive_with XLMOD:00033 ! azide reactive [Term] id: XLMOD:00091 name: tetramethylrhodamine-alkyne def: "A tetramethylrhodamine-alkyne affinity handle, which can be used for enrichment with click-chemistry." [PSI:XL] synonym: "TAMRA" EXACT [] is_a: XLMOD:00050 ! handle is_a: XLMOD:00019 ! enrichable relationship: is_reactive_with XLMOD:00033 ! azide reactive [Term] id: XLMOD:00092 name: lipid analogue def: "A lipid analogue used in cross-linking experiments for lipid-protein cross-linking." [PSI:XL] is_a: XLMOD:00001 ! cross-linking entity [Term] id: XLMOD:00093 name: sialic acid analogue def: "A sialic acid analogue used in cross-linking experiments for glycan-protein cross-linking." [PSI:XL] is_a: XLMOD:00001 ! cross-linking entity [Term] id: XLMOD:00094 name: alkenized cross-linker related chemical modification def: "Alkenization dead-end modification resulting from a cross-linker reagent reacting only with one peptide." [PSI:XL] is_a: XLMOD:00002 ! cross-linker related chemical modification [Term] id: XLMOD:00095 name: ammonium amidation cross-linker related chemical modification def: "Ammonium amidation dead-end modification resulting from a cross-linker reagent reacting only with one peptide." [PSI:XL] is_a: XLMOD:00002 ! cross-linker related chemical modification [Term] id: XLMOD:00096 name: hydrolization cross-linker related chemical modification def: "Hydrolization dead-end modification resulting from a cross-linker reagent reacting only with one peptide." [PSI:XL] is_a: XLMOD:00002 ! cross-linker related chemical modification [Term] id: XLMOD:00097 name: oxidation cross-linker related chemical modification def: "Oxidition dead-end modification resulting from a cross-linker reagent reacting only with one peptide." [PSI:XL] is_a: XLMOD:00002 ! cross-linker related chemical modification [Term] id: XLMOD:00098 name: thioesterization cross-linker related chemical modification def: "Thio-esterization dead-end modification resulting from a cross-linker reagent reacting only with one peptide." [PSI:XL] is_a: XLMOD:00002 ! cross-linker related chemical modification [Term] id: XLMOD:00099 name: formic acid cleavable def: "Indicates that a cross-linker is chemically cleavable by formic acid." [PSI:XL] is_a: XLMOD:00017 ! chemically cleavable [Term] id: XLMOD:00100 name: reactive group def: "Part of a cross-linker that reacts with the amino-acids of the protein." [PSI:XL] is_a: XLMOD:00009 ! cross-linking attribute [Term] id: XLMOD:00101 name: NHS ester def: "A reactive group (N-hydroxysuccinimide) that reacts with lysines and N-termini but also serines, threonines and tyrosines." [PSI:XL] synonym: "N-hydroxysuccinimide ester" EXACT [] property_value: specificities: "(K,Protein N-term)" xsd:string property_value: secondarySpecificities: "(S,T,Y)" xsd:string is_a: XLMOD:00100 ! reactive group relationship: has_property XLMOD:00013 ! membrane permeable relationship: is_reactive_with XLMOD:00028 ! primary amine reactive [Term] id: XLMOD:00102 name: Sulfo NHS ester def: "A reactive group (N-hydroxysulfosuccinimide) that reacts with lysines and N-termini but also serines, threonines and tyrosines." [PSI:XL] synonym: "N-hydroxysulfosuccinimide ester" EXACT [] property_value: specificities: "(K,Protein N-term)" xsd:string property_value: secondarySpecificities: "(S,T,Y)" xsd:string is_a: XLMOD:00100 ! reactive group relationship: has_property XLMOD:00014 ! hydrophilic relationship: is_reactive_with XLMOD:00028 ! primary amine reactive [Term] id: XLMOD:00103 name: diazirine def: "Photoreactive group (R1-CN2-R2) that inserts into any C-H or N-H bond." [PSI:XL] property_value: waveLengthRange: "330-370 nm" xsd:string is_a: XLMOD:00100 ! reactive group relationship: is_activatable XLMOD:00149 ! photoactivatable relationship: is_reactive_with XLMOD:00037 ! non-selective [Term] id: XLMOD:00104 name: N-hydroxyphthalimide def: "A reactive group that reacts with amines." [PMID:19994840] property_value: specificities: "(K,N,Q,R,Protein N-term)" xsd:string is_a: XLMOD:00100 ! reactive group relationship: is_reactive_with XLMOD:00028 ! primary amine reactive [Term] id: XLMOD:00105 name: carbodiimide def: "A Carboxyl-to-amine (R1-N=C=N_R2) reactive chemical group." [PSI:XL] property_value: specificities: "(K,N,Q,R,Protein N-term)&(E,D,Protein C-term)" xsd:string is_a: XLMOD:00100 ! reactive group relationship: is_reactive_with XLMOD:00028 ! primary amine reactive relationship: is_reactive_with XLMOD:00030 ! carboxyl reactive [Term] id: XLMOD:00106 name: maleimide def: "A reactive group that reacts with sulfhydryl groups." [PSI:XL] property_value: specificities: "(C)" xsd:string is_a: XLMOD:00100 ! reactive group relationship: is_reactive_with XLMOD:00029 ! sulfhydryl reactive [Term] id: XLMOD:00107 name: nitrophenyl azide def: "A nitrophenyl azide photoreactive group." [PSI:XL] property_value: waveLengthRange: "320-370 nm" xsd:string is_a: XLMOD:00114 ! aryl azide relationship: is_activatable XLMOD:00149 ! photoactivatable relationship: is_reactive_with XLMOD:00037 ! non-selective relationship: is_reactive_with XLMOD:00089 ! RNA-SH [Term] id: XLMOD:00108 name: photoreactive def: "Indicates that a reactive group is photoreactive." [PSI:XL] is_a: XLMOD:00026 ! reactive group attribute [Term] id: XLMOD:00109 name: pyridinyldisulfide def: "A pyridinyldisulfide reactive group that reacts with sulfhydryl groups to form disulfide bonds." [PSI:XL] synonym: "pyridyl disulfide" EXACT [] synonym: "pyridyldithiol" EXACT [] property_value: specificities: "(C)" xsd:string is_a: XLMOD:00100 ! reactive group relationship: is_cleavable XLMOD:00023 ! cleavable S-S bond relationship: is_reactive_with XLMOD:00029 ! sulfhydryl reactive [Term] id: XLMOD:00110 name: hydrazide def: "A hydrazide reactive group (-CO-NH-NH2) that reacts with carbonyls to form hydrazone bonds." [PSI:XL] property_value: specificities: "(D,E,Protein C-term)" xsd:string is_a: XLMOD:00100 ! reactive group relationship: is_reactive_with XLMOD:00030 ! carboxyl reactive relationship: is_reactive_with XLMOD:00031 ! aldehyde reactive relationship: is_reactive_with XLMOD:06510 ! ketone reactive [Term] id: XLMOD:00111 name: imidoester def: "An amine-reactive chemical group (R1-C(=NH)-OR2)." [PSI:XL] property_value: specificities: "(K,N,Q,R,Protein N-term)" xsd:string is_a: XLMOD:00100 ! reactive group relationship: is_reactive_with XLMOD:00028 ! primary amine reactive [Term] id: XLMOD:00112 name: haloacetyl def: "A reactive group (alpha-haloacetyl, halo-C2H5), mostly a iodoacetyl, bromoacetyl or chloroacetyl group, that reacts with sulfhydryl groups." [PSI:XL] property_value: specificities: "(C)" xsd:string is_a: XLMOD:00100 ! reactive group relationship: is_reactive_with XLMOD:00029 ! sulfhydryl reactive [Term] id: XLMOD:00113 name: alkoxyamine def: "A reactive group (R-O-N-R2) that conjugates to carbonyls." [PSI:XL] property_value: specificities: "(D,E,Protein C-term)" xsd:string is_a: XLMOD:00100 ! reactive group relationship: is_reactive_with XLMOD:00031 ! aldehyde reactive [Term] id: XLMOD:00114 name: aryl azide def: "Photoreactive aryl(Ar)-substitited azide (N=N=N) group, that initiates addition reactions with double bonds or insertion into C-H and N-H bonds or reacts with primary amines." [PSI:XL] property_value: waveLengthRange: "250-350 nm" xsd:string is_a: XLMOD:00055 ! azide relationship: is_activatable XLMOD:00149 ! photoactivatable relationship: is_reactive_with XLMOD:00028 ! primary amine reactive relationship: is_reactive_with XLMOD:00037 ! non-selective [Term] id: XLMOD:00115 name: glyoxal def: "An arginine-specific reactive group (H-CO-CO-H)." [PSI:XL] property_value: base specificities: "(Guanine)" xsd:string property_value: specificities: "(R)" xsd:string is_a: XLMOD:00100 ! reactive group [Term] id: XLMOD:00116 name: aldehyde group def: "An aldehyde (R-CO-H) reactive group." [PSI:XL] property_value: specificities: "(K,N,R,Q,Y,Protein N-term)" xsd:string property_value: secondarySpecificities: "(C,F,H,S,T,W)" xsd:string is_a: XLMOD:00100 ! reactive group relationship: is_reactive_with XLMOD:00028 ! primary amine reactive [Term] id: XLMOD:00117 name: acryl def: "A reactive group (CH2=CH-CO-R) that reacts with sulfhydryl (-SH) groups." [PMID:22641729] property_value: specificities: "(C)" xsd:string is_a: XLMOD:00100 ! reactive group relationship: is_reactive_with XLMOD:00029 ! sulfhydryl reactive [Term] id: XLMOD:00118 name: tetrafluorophenyl azide def: "Tetrafluorophenyl (TFP) azide (N=N=N) photoreactive group." [PMID:22641729] is_a: XLMOD:00114 ! aryl azide relationship: is_activatable XLMOD:00149 ! photoactivatable relationship: is_reactive_with XLMOD:00037 ! non-selective [Term] id: XLMOD:00119 name: benzophenone def: "Benzophenone photoreactive group." [PMID:22641729] property_value: waveLengthRange: "350-360 nm" xsd:string is_a: XLMOD:00100 ! reactive group relationship: is_activatable XLMOD:00149 ! photoactivatable relationship: is_reactive_with XLMOD:00037 ! non-selective relationship: is_reactive_with XLMOD:00089 ! RNA-SH [Term] id: XLMOD:00120 name: pentafluorophenyl def: "A reactive group (F5-Ph) that reacts with amines." [PMID:22067100] synonym: "PFP ester" EXACT [] property_value: specificities: "(K,N,Q,R,Protein N-term)" xsd:string is_a: XLMOD:00100 ! reactive group relationship: is_reactive_with XLMOD:00028 ! primary amine reactive [Term] id: XLMOD:00121 name: methanethiosulfonate def: "A reactive group (Ch3-SO2-S-R) that reacts with sulfhydryl (-SH) groups." [PSI:XL] synonym: "MTS" EXACT [] property_value: specificities: "(C)" xsd:string is_a: XLMOD:00100 ! reactive group relationship: is_reactive_with XLMOD:00029 ! sulfhydryl reactive [Term] id: XLMOD:00122 name: 4-azido-2,3,5,6-tetrafluorobenzene def: "Photoreactive group that inserts into any C-H bond." [PSI:XL] synonym: "ATFB" EXACT [] property_value: waveLengthRange: "UV" xsd:string is_a: XLMOD:00100 ! reactive group relationship: is_activatable XLMOD:00149 ! photoactivatable relationship: is_reactive_with XLMOD:00037 ! non-selective [Term] id: XLMOD:00123 name: thermoreactive def: "Indicates that a reactive group is thermoreactive." [PSI:XL] is_a: XLMOD:00026 ! reactive group attribute [Term] id: XLMOD:00124 name: isocyanate def: "An isocyanate (-N=C=O) that reacts with hydroxyl groups." [PMID:21557289] property_value: specificities: "(S,T,Y)" xsd:string is_a: XLMOD:00100 ! reactive group relationship: is_reactive_with XLMOD:00028 ! primary amine reactive relationship: is_reactive_with XLMOD:00032 ! hydroxyl reactive relationship: is_reactive_with XLMOD:06500 ! secondary amine reactive [Term] id: XLMOD:00125 name: hydroxyphenyl azide def: "A hydroxyphenyl azid photoreactive group." [PSI:XL] property_value: waveLengthRange: "320-350 nm" xsd:string is_a: XLMOD:00114 ! aryl azide relationship: is_activatable XLMOD:00149 ! photoactivatable relationship: is_reactive_with XLMOD:00037 ! non-selective [Term] id: XLMOD:00126 name: phenyl azide def: "A phenyl azide photoreactive group." [PSI:XL] synonym: "aryl nitrene" EXACT [] property_value: waveLengthRange: "320-350 nm" xsd:string is_a: XLMOD:00114 ! aryl azide relationship: is_activatable XLMOD:00149 ! photoactivatable relationship: is_reactive_with XLMOD:00037 ! non-selective [Term] id: XLMOD:00127 name: iodoacetyl def: "A iodoacetyl reactive group, that reacts with sulfhydryl groups." [PSI:XL] property_value: specificities: "(C,H)" xsd:string is_a: XLMOD:00112 ! haloacetyl relationship: is_reactive_with XLMOD:00029 ! sulfhydryl reactive [Term] id: XLMOD:00128 name: bromoacetyl def: "A bromoacetyl reactive group, that reacts with sulfhydryl groups." [PSI:XL] property_value: specificities: "(C,H)" xsd:string is_a: XLMOD:00112 ! haloacetyl relationship: is_reactive_with XLMOD:00029 ! sulfhydryl reactive [Term] id: XLMOD:00129 name: hydroxybenzotriazole def: "A reactive group that reacts with amines." [PMID:19994840] property_value: specificities: "(K,N,Q,R,Protein N-term)" xsd:string is_a: XLMOD:00100 ! reactive group relationship: is_reactive_with XLMOD:00028 ! primary amine reactive [Term] id: XLMOD:00130 name: 1-hydroxy-7-azabenzotriazole def: "A reactive group that reacts with amines." [PMID:19994840] property_value: specificities: "(K,N,Q,R,Protein N-term)" xsd:string is_a: XLMOD:00100 ! reactive group relationship: is_reactive_with XLMOD:00028 ! primary amine reactive [Term] id: XLMOD:00131 name: thioimidate def: "A reactive group that reacts with amines." [PMID:20795639] property_value: specificities: "(K,N,Q,R,Protein N-term)" xsd:string is_a: XLMOD:00100 ! reactive group relationship: is_reactive_with XLMOD:00028 ! primary amine reactive [Term] id: XLMOD:00132 name: platinum(II) def: "Platinum(II) coordinates with the side chains of methionine (Met), cysteine (Cys), and histidine(His), namely, thioether, sulfhydryl, and imidazole." [PMID:21591778] property_value: base specificities: "(Guanine)" xsd:string property_value: secondary base specificities: "(Adenin, Cytosin)" xsd:string property_value: specificities: "(C,H,M)" xsd:string is_a: XLMOD:00100 ! reactive group relationship: is_reactive_with XLMOD:00029 ! sulfhydryl reactive relationship: is_reactive_with XLMOD:00045 ! thioether reactive relationship: is_reactive_with XLMOD:00046 ! imidazole reactive [Term] id: XLMOD:00133 name: amine reactive group def: "Reactive group (-NH2) that reacts with carboxyl (-COOH) groups." [PSI:XL] property_value: specificities: "(D,E)" xsd:string is_a: XLMOD:00100 ! reactive group relationship: is_reactive_with XLMOD:00030 ! carboxyl reactive relationship: is_reactive_with XLMOD:00031 ! aldehyde reactive relationship: is_reactive_with XLMOD:06510 ! ketone reactive [Term] id: XLMOD:00134 name: psoralen def: "A photoreactive group that reacts with pyrimidines, especially thymines of nucleic acids." [PSI:XL] property_value: specificities: "(Thy)" xsd:string is_a: XLMOD:00100 ! reactive group relationship: is_activatable XLMOD:00149 ! photoactivatable relationship: is_reactive_with XLMOD:00048 ! nucleic acid reactive [Term] id: XLMOD:00135 name: azido-methylcoumarin def: "A photoreactive azido-methylcoumarin group." [PSI:XL] is_a: XLMOD:00100 ! reactive group relationship: is_activatable XLMOD:00149 ! photoactivatable relationship: is_reactive_with XLMOD:00037 ! non-selective [Term] id: XLMOD:00136 name: perfluoroaryl azide def: "A photoreactive perfluoroaryl azide group." [PSI:XL] is_a: XLMOD:00114 ! aryl azide relationship: is_activatable XLMOD:00149 ! photoactivatable relationship: is_reactive_with XLMOD:00037 ! non-selective [Term] id: XLMOD:00137 name: diazo group def: "A photoreactive diazo (R1R2C=N=N) group." [PSI:XL] is_a: XLMOD:00100 ! reactive group relationship: is_activatable XLMOD:00149 ! photoactivatable relationship: is_reactive_with XLMOD:00037 ! non-selective [Term] id: XLMOD:00138 name: carboxyl def: "A reactive group (-COOH) that reacts with primary amine (-NH2) groups." [PSI:XL] property_value: specificities: "(K,N,Q,R,Protein N-term)" xsd:string is_a: XLMOD:00100 ! reactive group relationship: is_reactive_with XLMOD:00028 ! primary amine reactive [Term] id: XLMOD:00139 name: hydroxymethyl phosphine def: "A reactive group that reacts with amine groups." [PSI:XL] property_value: specificities: "(K,N,Q,R,Protein N-term)" xsd:string is_a: XLMOD:00100 ! reactive group relationship: is_reactive_with XLMOD:00028 ! primary amine reactive [Term] id: XLMOD:00140 name: vinyl sulfone def: "A reactive group that reacts with hydroxyl groups." [PSI:XL] property_value: specificities: "(C,K,N,Q,R,S,T,Y)" xsd:string is_a: XLMOD:00100 ! reactive group relationship: is_reactive_with XLMOD:00028 ! primary amine reactive relationship: is_reactive_with XLMOD:00029 ! sulfhydryl reactive relationship: is_reactive_with XLMOD:00032 ! hydroxyl reactive [Term] id: XLMOD:00141 name: carbonyl def: "A reactive group (C=O)that reacts with hydrazines (N2H4)." [PSI:XL] is_a: XLMOD:00100 ! reactive group relationship: is_reactive_with XLMOD:00062 ! hydrazine reactive [Term] id: XLMOD:00142 name: phenylglyoxal def: "An arginine-specific reactive group." [PSI:XL] property_value: specificities: "(R)" xsd:string is_a: XLMOD:00115 ! glyoxal [Term] id: XLMOD:00143 name: hydrazone def: "A hydrazone reactive group (C=NH-NHR) that reacts with carbonyls." [PSI:XL] property_value: specificities: "(D,E,Protein C-term)" xsd:string is_a: XLMOD:00100 ! reactive group relationship: is_reactive_with XLMOD:00031 ! aldehyde reactive [Term] id: XLMOD:00144 name: S-acetyl def: "A S-acetyl group." [PSI:XL] comment: Used to incorporate sulfhydryl (-SH) groups into proteins as part of a two-step or heterobifunctional crosslinking strategy. synonym: "SAT" EXACT [] is_a: XLMOD:00100 ! reactive group [Term] id: XLMOD:00145 name: aryl halide def: "An aryl halide group (Ar-halogen) that reacts with primary amines." [PSI:XL] property_value: specificities: "(K,N,Q,R,Protein N-term)" xsd:string is_a: XLMOD:00100 ! reactive group relationship: is_reactive_with XLMOD:00028 ! primary amine reactive relationship: is_reactive_with XLMOD:00037 ! non-selective [Term] id: XLMOD:00146 name: dimethylether def: "A dimethylether (Ch3-O-CH3) reactive group that reacts with carboxyl groups." [PSI:XL] property_value: specificities: "(D,E)" xsd:string is_a: XLMOD:00100 ! reactive group relationship: is_reactive_with XLMOD:00030 ! carboxyl reactive [Term] id: XLMOD:00147 name: photocleavable def: "Indicates that a reactive group is photocleavable." [PSI:XL] is_a: XLMOD:00108 ! photoreactive [Term] id: XLMOD:00148 name: nitrobenzylester def: "A photocleavable group." [PSI:XL] is_a: XLMOD:00100 ! reactive group relationship: is_cleavable XLMOD:00147 ! photocleavable relationship: is_reactive_with XLMOD:00037 ! non-selective [Term] id: XLMOD:00149 name: photoactivatable def: "Indicates that a reactive group is photoactivatable." [PSI:XL] is_a: XLMOD:00108 ! photoreactive [Term] id: XLMOD:00150 name: tetrafluorophenyl ester def: "Tetrafluorophenyl (TFP, F4-Ph) ester." [PMID:22641729] is_a: XLMOD:00100 ! reactive group relationship: is_reactive_with XLMOD:00028 ! primary amine reactive [Term] id: XLMOD:00151 name: pentylamine def: "A pentylamine (CH3(CH2)4-NH2) reactive group that reacts with carboxyl groups." [PSI:XL] property_value: specificities: "(D,E)" xsd:string is_a: XLMOD:00100 ! reactive group relationship: is_reactive_with XLMOD:00030 ! carboxyl reactive [Term] id: XLMOD:00152 name: Biotin def: "A biotin reactive group that reacts with avidin, streptavidin or neutravidin." [PSI:XL] is_a: XLMOD:00100 ! reactive group relationship: is_reactive_with XLMOD:00072 ! avidin reactive [Term] id: XLMOD:00153 name: chloroethyl def: "A reactive group that reacts with guanin." [PSI:XL] is_a: XLMOD:00100 ! reactive group property_value: base specificities: "(Guanine)" xsd:string property_value: Secondary base specificities: "(Adenin, Cytosin)" xsd:string [Term] id: XLMOD:00154 name: imino def: "An imino (R1R2-C=N-R3) reactive group that reacts with primary amines." [PSI:XL] property_value: specificities: "(D,E,K,Protein N-term)" xsd:string is_a: XLMOD:00100 ! reactive group relationship: is_reactive_with XLMOD:00028 ! primary amine reactive [Term] id: XLMOD:00155 name: acyl chloride def: "An acyl chloride (R-CO-Cl) reactive group that reacts with alcohol, phenol, thiol and amines." [PMID:21557289] is_a: XLMOD:00100 ! reactive group relationship: is_reactive_with XLMOD:00028 ! primary amine reactive relationship: is_reactive_with XLMOD:00032 ! hydroxyl reactive relationship: is_reactive_with XLMOD:06500 ! secondary amine reactive relationship: is_reactive_with XLMOD:06509 ! phenol reactive relationship: is_reactive_with XLMOD:06513 ! thiol reactive [Term] id: XLMOD:00156 name: sulfonyl chloride def: "A sulfonyl chloride (R-SO2-Cl) reactive group." [PMID:21557289] is_a: XLMOD:00100 ! reactive group relationship: is_reactive_with XLMOD:00028 ! primary amine reactive relationship: is_reactive_with XLMOD:00032 ! hydroxyl reactive relationship: is_reactive_with XLMOD:06500 ! secondary amine reactive relationship: is_reactive_with XLMOD:06509 ! phenol reactive relationship: is_reactive_with XLMOD:06513 ! thiol reactive [Term] id: XLMOD:00157 name: benzofurazan def: "A benzofurazan (2,1,3-benzoxadiazole) reactive group." [PMID:21557289] is_a: XLMOD:00100 ! reactive group relationship: is_reactive_with XLMOD:00030 ! carboxyl reactive relationship: is_reactive_with XLMOD:00031 ! aldehyde reactive relationship: is_reactive_with XLMOD:06510 ! ketone reactive [Term] id: XLMOD:00158 name: halobenzofurazan def: "A halobenzofurazan (2,1,3-benzoxadiazole) reactive group with a halogen (-F, -Cl) modification." [PMID:21557289] is_a: XLMOD:00100 ! reactive group relationship: is_reactive_with XLMOD:00028 ! primary amine reactive [Term] id: XLMOD:00159 name: hydrazine def: "A hydrazine (R-NHNH2-) reactive group." [PMID:21557289] is_a: XLMOD:00100 ! reactive group relationship: is_reactive_with XLMOD:00030 ! carboxyl reactive relationship: is_reactive_with XLMOD:00031 ! aldehyde reactive relationship: is_reactive_with XLMOD:06510 ! ketone reactive [Term] id: XLMOD:00160 name: TAD def: "A 4-substituted 1,2,4-triazoline-3,5-dione (TAD) reactive group." [PMID:21557289] synonym: "1,2,4-triazoline-3,5-dione" EXACT [] is_a: XLMOD:00100 ! reactive group relationship: is_reactive_with XLMOD:06514 ! Vitamin D metabolite reactive [Term] id: XLMOD:00161 name: boronic acid def: "An (alkyl- or aryl-substituted) boronic acid (R-B-(OH)2) reactive group." [PMID:21557289] is_a: XLMOD:00100 ! reactive group relationship: is_reactive_with XLMOD:06503 ! amino acid reactive relationship: is_reactive_with XLMOD:06506 ! carbohydrate reactive [Term] id: XLMOD:00162 name: isothiocyanate def: "An isothiocyanate (-N=C=S) reactive group." [PMID:21557289] is_a: XLMOD:00100 ! reactive group relationship: is_reactive_with XLMOD:00028 ! primary amine reactive relationship: is_reactive_with XLMOD:06500 ! secondary amine reactive [Term] id: XLMOD:00163 name: chloroformate reactive group def: "A chloroformate (Cl-CO-OR) reactive group." [PMID:21557289] is_a: XLMOD:00100 ! reactive group relationship: is_reactive_with XLMOD:00028 ! primary amine reactive relationship: is_reactive_with XLMOD:06500 ! secondary amine reactive [Term] id: XLMOD:00164 name: carabamate def: "A carbamate (O-CO-N) reactive group." [PMID:21557289] synonym: "urethane" EXACT [] is_a: XLMOD:00100 ! reactive group relationship: is_reactive_with XLMOD:00028 ! primary amine reactive relationship: is_reactive_with XLMOD:06500 ! secondary amine reactive [Term] id: XLMOD:00165 name: sulfonate def: "A sulfonate (R1-SO2O-R2) reactive group." [PMID:21557289] synonym: "sulphonate" EXACT [] synonym: "sulfonic ester" EXACT [] is_a: XLMOD:00100 ! reactive group relationship: is_reactive_with XLMOD:00030 ! carboxyl reactive [Term] id: XLMOD:00166 name: anhydride def: "An anhydride (R1-CO-O-CO-R2) reactive group." [PMID:21557289] is_a: XLMOD:00100 ! reactive group relationship: is_reactive_with XLMOD:00028 ! primary amine reactive relationship: is_reactive_with XLMOD:00032 ! hydroxyl reactive [Term] id: XLMOD:00167 name: carboxyl reactive group def: "Reactive group (-COOH) that reacts with amino (-NH2) groups." [PSI:XL] is_a: XLMOD:00100 ! reactive group relationship: is_reactive_with XLMOD:00028 ! amine reactive [Term] id: XLMOD:00168 name: benzyl bromide reactive group def: "A benzyl bromide (C6H5CH2Br) reactive group." [PMID:21557289] synonym: "Bn-Br" EXACT [] is_a: XLMOD:00100 ! reactive group relationship: is_reactive_with XLMOD:00029 ! sulfhydryl reactive relationship: is_reactive_with XLMOD:00030 ! carboxyl reactive relationship: is_reactive_with XLMOD:06509 ! phenol reactive relationship: is_reactive_with XLMOD:06521 ! phosphate reactive [Term] id: XLMOD:00169 name: sodium dithionite cleavable def: "Indicates that a cross-linker is chemically cleavable by sodium dithionite." [PSI:XL] is_a: XLMOD:00017 ! chemically cleavable [Term] id: XLMOD:00169 name: benzoyl bromide def: "A benzoyl bromide (C6H5COBr) reactive group." [PMID:21557289] synonym: "Bz-Br" EXACT [] is_a: XLMOD:00100 ! reactive group relationship: is_reactive_with XLMOD:00029 ! sulfhydryl reactive relationship: is_reactive_with XLMOD:00030 ! carboxyl reactive relationship: is_reactive_with XLMOD:06509 ! phenol reactive relationship: is_reactive_with XLMOD:06521 ! phosphate reactive [Term] id: XLMOD:01000 name: hydrolyzed BS3 def: "Hydrolyzed bis(sulfosuccinimidyl)suberate." [PSI:XL] property_value: deadEndFormula: "C8 H12 O3" xsd:string property_value: monoIsotopicMass: "156.07864431" xsd:double is_a: XLMOD:00096 ! hydrolization cross-linker related chemical modification relationship: is_partially_reacted XLMOD:00011 ! hydrolyzed relationship: is_side_product_of XLMOD:02000 ! BS3 [Term] id: XLMOD:01001 name: ammonium amidated BS3 def: "Ammonium amidated bis(sulfosuccinimidyl)suberate." [PSI:XL] property_value: deadEndFormula: "C8 H13 O2 N" xsd:string property_value: monoIsotopicMass: "155.094628715" xsd:double is_a: XLMOD:00095 ! ammonium amidation cross-linker related chemical modification relationship: is_partially_reacted XLMOD:00021 ! ammonium amidated relationship: is_side_product_of XLMOD:02000 ! BS3 [Term] id: XLMOD:01002 name: hydrolyzed DSS def: "Hydrolyzed disuccinimidyl suberate." [PSI:XL] property_value: deadEndFormula: "C8 H12 O3" xsd:string property_value: monoIsotopicMass: "156.07864431" xsd:double is_a: XLMOD:00096 ! hydrolization cross-linker related chemical modification relationship: is_partially_reacted XLMOD:00011 ! hydrolyzed relationship: is_side_product_of XLMOD:02001 ! DSS [Term] id: XLMOD:01003 name: ammonium amidated DSS def: "Ammonium amidated disuccinimidyl suberate." [PSI:XL] property_value: deadEndFormula: "C8 H13 O2 N" xsd:string property_value: monoIsotopicMass: "155.094628715" xsd:double is_a: XLMOD:00095 ! ammonium amidation cross-linker related chemical modification relationship: is_partially_reacted XLMOD:00021 ! ammonium amidated relationship: is_side_product_of XLMOD:02001 ! DSS [Term] id: XLMOD:01004 name: hydrolyzed DSS-d4 def: "Deuterium labelled hydrolyzed disuccinimidyl 2,2,7,7-suberate." [PSI:XL] property_value: monoIsotopicMass: "160.1037416836" xsd:double is_a: XLMOD:00096 ! hydrolization cross-linker related chemical modification relationship: is_labelled XLMOD:00010 ! deuterium labelled relationship: is_partially_reacted XLMOD:00011 ! hydrolyzed relationship: is_side_product_of XLMOD:02002 ! DSS-d4 [Term] id: XLMOD:01005 name: ammonium amidated DSS-d4 def: "Deuterium labelled ammonium amidated disuccinimidyl 2,2,7,7-suberate." [PSI:XL] property_value: monoIsotopicMass: "159.1197260886" xsd:double is_a: XLMOD:00095 ! ammonium amidation cross-linker related chemical modification relationship: is_labelled XLMOD:00010 ! deuterium labelled relationship: is_partially_reacted XLMOD:00021 ! ammonium amidated relationship: is_side_product_of XLMOD:02002 ! DSS-d4 [Term] id: XLMOD:01006 name: hydrolyzed DSS-d12 def: "Deuterium labelled hydrolyzed disuccinimidyl 2,2,3,3,4,4,5,5,6,6,7,7-suberate." [PSI:XL] property_value: monoIsotopicMass: "168.153965238" xsd:double is_a: XLMOD:00096 ! hydrolization cross-linker related chemical modification relationship: is_labelled XLMOD:00010 ! deuterium labelled relationship: is_partially_reacted XLMOD:00011 ! hydrolyzed relationship: is_side_product_of XLMOD:02003 ! DSS-d12 [Term] id: XLMOD:01007 name: ammonium amidated DSS-d12 def: "Deuterium labelled ammonium amidated disuccinimidyl 2,2,3,3,4,4,5,5,6,6,7,7-suberate." [PSI:XL] property_value: monoIsotopicMass: "167.169949643" xsd:double is_a: XLMOD:00095 ! ammonium amidation cross-linker related chemical modification relationship: is_labelled XLMOD:00010 ! deuterium labelled relationship: is_partially_reacted XLMOD:00021 ! ammonium amidated relationship: is_side_product_of XLMOD:02003 ! DSS-d12 [Term] id: XLMOD:01008 name: hydrolyzed BS3-d4 def: "Deuterium labelled hydrolyzed bis(sulfosuccinimidyl) 2,2,7,7-suberate." [PSI:XL] property_value: deadEndFormula: "C8 D4 H8 O3" xsd:string property_value: monoIsotopicMass: "160.103751286" xsd:double is_a: XLMOD:00096 ! hydrolization cross-linker related chemical modification relationship: is_labelled XLMOD:00010 ! deuterium labelled relationship: is_partially_reacted XLMOD:00011 ! hydrolyzed relationship: is_side_product_of XLMOD:02004 ! BS3-d4 [Term] id: XLMOD:01009 name: ammonium amidated BS3-d4 def: "Deuterium labelled ammonium amidated bis(sulfosuccinimidyl) 2,2,7,7-suberate." [PSI:XL] property_value: deadEndFormula: "C8 D4 H9 N1 O2" xsd:string property_value: monoIsotopicMass: "159.119735691" xsd:double is_a: XLMOD:00095 ! ammonium amidation cross-linker related chemical modification relationship: is_labelled XLMOD:00010 ! deuterium labelled relationship: is_partially_reacted XLMOD:00021 ! ammonium amidated relationship: is_side_product_of XLMOD:02004 ! BS3-d4 [Term] id: XLMOD:01010 name: hydrolyzed BS2G def: "Hydrolyzed bis(sulfosuccinimidyl) glutarate." [PSI:XL] property_value: deadEndFormula: "C5 H6 O3" xsd:string property_value: monoIsotopicMass: "114.0316941" xsd:double is_a: XLMOD:00096 ! hydrolization cross-linker related chemical modification relationship: is_partially_reacted XLMOD:00011 ! hydrolyzed relationship: is_side_product_of XLMOD:02005 ! BS2G [Term] id: XLMOD:01011 name: ammonium amidated BS2G def: "Ammonium amidated bis(sulfosuccinimidyl) glutarate." [PSI:XL] property_value: deadEndFormula: "C5 H7 N1 O2" xsd:string property_value: monoIsotopicMass: "113.047678505" xsd:double is_a: XLMOD:00095 ! ammonium amidation cross-linker related chemical modification relationship: is_partially_reacted XLMOD:00021 ! ammonium amidated relationship: is_side_product_of XLMOD:02005 ! BS2G [Term] id: XLMOD:01012 name: hydrolyzed DSG def: "Hydrolyzed disuccinimidyl glutarate." [PSI:XL] property_value: deadEndFormula: "C5 H6 O3" xsd:string property_value: monoIsotopicMass: "114.0316941" xsd:double is_a: XLMOD:00096 ! hydrolization cross-linker related chemical modification relationship: is_partially_reacted XLMOD:00011 ! hydrolyzed relationship: is_side_product_of XLMOD:02006 ! DSG [Term] id: XLMOD:01013 name: ammonium amidated DSG def: "Ammonium amidated disuccinimidyl glutarate." [PSI:XL] property_value: deadEndFormula: "C5 H7 N1 O2" xsd:string property_value: monoIsotopicMass: "113.047678505" xsd:double is_a: XLMOD:00095 ! ammonium amidation cross-linker related chemical modification relationship: is_partially_reacted XLMOD:00021 ! ammonium amidated relationship: is_side_product_of XLMOD:02006 ! DSG [Term] id: XLMOD:01014 name: hydrolyzed DSG-d4 def: "Deuterium labelled hydrolyzed disuccinimidyl 2,2,4,4-glutarate." [PSI:XL] property_value: deadEndFormula: "C5 D4 H2 O3" xsd:string property_value: monoIsotopicMass: "118.0567741" xsd:double is_a: XLMOD:00096 ! hydrolization cross-linker related chemical modification relationship: is_labelled XLMOD:00010 ! deuterium labelled relationship: is_partially_reacted XLMOD:00011 ! hydrolyzed relationship: is_side_product_of XLMOD:02007 ! DSG-d4 [Term] id: XLMOD:01015 name: ammonium amidated DSG-d4 def: "Deuterium labelled ammonium amidated disuccinimidyl 2,2,4,4-glutarate." [PSI:XL] property_value: deadEndFormula: "C5 D4 H3 N1 O2" xsd:string property_value: monoIsotopicMass: "117.072758505" xsd:double is_a: XLMOD:00095 ! ammonium amidation cross-linker related chemical modification relationship: is_labelled XLMOD:00010 ! deuterium labelled relationship: is_partially_reacted XLMOD:00021 ! ammonium amidated relationship: is_side_product_of XLMOD:02007 ! DSG-d4 [Term] id: XLMOD:01016 name: hydrolyzed BS2G-d4 def: "Deuterium labelled hydrolyzed bis(sulfosuccinimidyl) 2,2,4,4-glutarate." [PSI:XL] property_value: deadEndFormula: "C5 D4 H2 O3" xsd:string property_value: monoIsotopicMass: "118.056801076" xsd:double is_a: XLMOD:00096 ! hydrolization cross-linker related chemical modification relationship: is_labelled XLMOD:00010 ! deuterium labelled relationship: is_partially_reacted XLMOD:00011 ! hydrolyzed relationship: is_side_product_of XLMOD:02008 ! BS2G-d4 [Term] id: XLMOD:01017 name: ammonium amidated BS2G-d4 def: "Deuterium labelled ammonium amidated bis(sulfosuccinimidyl) 2,2,4,4-glutarate." [PSI:XL] property_value: deadEndFormula: "C5 D4 H3 N1 O2" xsd:string property_value: monoIsotopicMass: "117.072785481" xsd:double is_a: XLMOD:00095 ! ammonium amidation cross-linker related chemical modification relationship: is_labelled XLMOD:00010 ! deuterium labelled relationship: is_partially_reacted XLMOD:00021 ! ammonium amidated relationship: is_side_product_of XLMOD:02008 ! BS2G-d4 [Term] id: XLMOD:01018 name: BDP-NHP-stump def: "Biotin Aspartate Proline n-hydroxyphthalimide-stump." [PMID:23413883, PMID:26235782, PMID:27089058] property_value: monoIsotopicMass: "197.032422395" xsd:double is_a: XLMOD:00002 ! cross-linker related chemical modification relationship: is_side_product_of XLMOD:02011 ! BDP-NHP [Term] id: XLMOD:01019 name: hydrolyzed DSP def: "Hydrolyzed dithiobis[succinimidyl propionate." [PSI:XL] property_value: deadEndFormula: "C6 H8 O3 S2" xsd:string property_value: monoIsotopicMass: "191.99148557" xsd:double is_a: XLMOD:00096 ! hydrolization cross-linker related chemical modification relationship: is_partially_reacted XLMOD:00011 ! hydrolyzed relationship: is_side_product_of XLMOD:02029 ! DSP [Term] id: XLMOD:01020 name: ammonium amidated DSP def: "Ammonium amidated dithiobis[succinimidyl propionate." [PSI:XL] property_value: deadEndFormula: "C6 H9 N1 O2 S2" xsd:string property_value: monoIsotopicMass: "191.007469975" xsd:double is_a: XLMOD:00095 ! ammonium amidation cross-linker related chemical modification relationship: is_partially_reacted XLMOD:00021 ! ammonium amidated relationship: is_side_product_of XLMOD:02029 ! DSP [Term] id: XLMOD:01021 name: hydrolyzed EGS def: "Hydrolyzed ethylene glycolbis(succinimidylsuccinate)." [PSI:XL] property_value: deadEndFormula: "C10 H12 O7" xsd:string property_value: monoIsotopicMass: "244.0583027" xsd:double is_a: XLMOD:00096 ! hydrolization cross-linker related chemical modification relationship: is_partially_reacted XLMOD:00011 ! hydrolyzed relationship: is_side_product_of XLMOD:02034 ! EGS [Term] id: XLMOD:01022 name: ammonium amidated EGS def: "Ammonium amidated ethylene glycolbis(succinimidylsuccinate)." [PSI:XL] property_value: deadEndFormula: "C10 H13 N1 O6" xsd:string property_value: monoIsotopicMass: "243.074287105" xsd:double is_a: XLMOD:00095 ! ammonium amidation cross-linker related chemical modification relationship: is_partially_reacted XLMOD:00021 ! ammonium amidated relationship: is_side_product_of XLMOD:02034 ! EGS [Term] id: XLMOD:01023 name: hydrolyzed BiPS def: "Hydrolyzed bimane bisthiopropionic acid N-succinimidyl ester." [PMID:18838738] property_value: deadEndFormula: "C16 H18 N2 O5 S2" xsd:string property_value: monoIsotopicMass: "382.06571" xsd:double is_a: XLMOD:00096 ! hydrolization cross-linker related chemical modification relationship: is_partially_reacted XLMOD:00011 ! hydrolyzed relationship: is_side_product_of XLMOD:02040 ! BiPS [Term] id: XLMOD:01024 name: ammonium amidated BiPS def: "Ammonium amidated bimane bisthiopropionic acid N-succinimidyl ester." [PMID:18838738] property_value: deadEndFormula: "C16 H18 N3 O4 S2" xsd:string property_value: monoIsotopicMass: "381.08169" xsd:double is_a: XLMOD:00095 ! ammonium amidation cross-linker related chemical modification relationship: is_partially_reacted XLMOD:00021 ! ammonium amidated relationship: is_side_product_of XLMOD:02040 ! BiPS [Term] id: XLMOD:01025 name: hydrolyzed CBDPS def: "Hydrolyzed cyanurbiotindipropionylsuccinimide." [PMID:20622150] property_value: deadEndFormula: "C19 H25 N7 O5 S3" xsd:string property_value: monoIsotopicMass: "527.10738" xsd:double is_a: XLMOD:00096 ! hydrolization cross-linker related chemical modification relationship: has_handle XLMOD:00051 ! biotin relationship: is_partially_reacted XLMOD:00011 ! hydrolyzed relationship: is_side_product_of XLMOD:02041 ! CBDPS [Term] id: XLMOD:01026 name: ammonium amidated CBDPS def: "Ammonium amidated cyanurbiotindipropionylsuccinimide." [PMID:20622150] property_value: deadEndFormula: "C19 H25 N8 O4 S3" xsd:string property_value: monoIsotopicMass: "526.12336" xsd:double is_a: XLMOD:00095 ! ammonium amidation cross-linker related chemical modification relationship: has_handle XLMOD:00051 ! biotin relationship: is_partially_reacted XLMOD:00021 ! ammonium amidated relationship: is_side_product_of XLMOD:02041 ! CBDPS [Term] id: XLMOD:01027 name: hydrolyzed DSA def: "Hydrolyzed disuccinimidyladipic acid." [PSI:XL] property_value: deadEndFormula: "C6 H8 O3" xsd:string property_value: monoIsotopicMass: "128.04680" xsd:double is_a: XLMOD:00096 ! hydrolization cross-linker related chemical modification relationship: is_partially_reacted XLMOD:00011 ! hydrolyzed relationship: is_side_product_of XLMOD:02044 ! DSA [Term] id: XLMOD:01028 name: ammonium amidated DSA def: "Ammonium amidated disuccinimidyladipic acid." [PSI:XL] property_value: deadEndFormula: "C6 H9 N1 O2" xsd:string property_value: monoIsotopicMass: "127.06278" xsd:double is_a: XLMOD:00095 ! ammonium amidation cross-linker related chemical modification relationship: is_partially_reacted XLMOD:00021 ! ammonium amidated relationship: is_side_product_of XLMOD:02044 ! DSA [Term] id: XLMOD:01029 name: hydrolyzed DNBDPS def: "Hydrolyzed DNBDPS." [PMID:20109223] property_value: deadEndFormula: "C12 H10 N2 O7 S2" xsd:string property_value: monoIsotopicMass: "357.99294" xsd:double is_a: XLMOD:00096 ! hydrolization cross-linker related chemical modification relationship: has_handle XLMOD:00054 ! DNB relationship: is_partially_reacted XLMOD:00011 ! hydrolyzed relationship: is_side_product_of XLMOD:02045 ! DNBDPS [Term] id: XLMOD:01030 name: ammonium amidated DNBDPS def: "Ammonium amidated DNBDPS." [PMID:20109223] property_value: deadEndFormula: "C12 H10 N3 O6 S2" xsd:string property_value: monoIsotopicMass: "357.00892" xsd:double is_a: XLMOD:00095 ! ammonium amidation cross-linker related chemical modification relationship: has_handle XLMOD:00054 ! DNB relationship: is_partially_reacted XLMOD:00021 ! ammonium amidated relationship: is_side_product_of XLMOD:02045 ! DNBDPS [Term] id: XLMOD:01031 name: hydrolyzed TEABS def: "Hydrolyzed TEABS cross-linking reagent." [PMID:20109223] property_value: deadEndFormula: "C28 H41 N5 O12 S1" xsd:string property_value: monoIsotopicMass: "671.24724" xsd:double is_a: XLMOD:00096 ! hydrolization cross-linker related chemical modification relationship: is_partially_reacted XLMOD:00011 ! hydrolyzed relationship: is_side_product_of XLMOD:02046 ! TEABS [Term] id: XLMOD:01032 name: ammonium amidated TEABS def: "Ammonium amidated TEABS cross-linking reagent." [PMID:20109223] property_value: deadEndFormula: "C28 H41 N6 O11 S1" xsd:string property_value: monoIsotopicMass: "670.26322" xsd:double is_a: XLMOD:00095 ! ammonium amidation cross-linker related chemical modification relationship: is_partially_reacted XLMOD:00021 ! ammonium amidated relationship: is_side_product_of XLMOD:02046 ! TEABS [Term] id: XLMOD:01033 name: hydrolyzed DTSSP-d8 def: "Hydrolyzed deuterium labelled 3,3'-Dithiobis[sulfosuccinimidylpropionate]." [PMID:10975572, PMID:18510349] property_value: deadEndFormula: "C6 D8 O3 S2" xsd:string property_value: monoIsotopicMass: "191.99149" xsd:double is_a: XLMOD:00096 ! hydrolization cross-linker related chemical modification relationship: is_labelled XLMOD:00010 ! deuterium labelled relationship: is_partially_reacted XLMOD:00011 ! hydrolyzed relationship: is_side_product_of XLMOD:02049 ! DTSSP [Term] id: XLMOD:01034 name: ammonium amidated DTSSP-d8 def: "Ammonium amidated deuterium labelled 3,3'-Dithiobis[sulfosuccinimidylpropionate]." [PMID:10975572, PMID:18510349] property_value: deadEndFormula: "C6 D8 H1 N1 O2 S2" xsd:string property_value: monoIsotopicMass: "191.00747" xsd:double is_a: XLMOD:00095 ! ammonium amidation cross-linker related chemical modification relationship: is_labelled XLMOD:00010 ! deuterium labelled relationship: is_partially_reacted XLMOD:00021 ! ammonium amidated relationship: is_side_product_of XLMOD:02049 ! DTSSP [Term] id: XLMOD:01035 name: hydrolyzed DSP-d8 def: "Hydrolyzed deuterium-labelled dithiobis[succinimidyl propionate." [PSI:XL] property_value: deadEndFormula: "C6 D8 O3 S2" xsd:string property_value: monoIsotopicMass: "200.04165" xsd:double is_a: XLMOD:00096 ! hydrolization cross-linker related chemical modification relationship: is_labelled XLMOD:00010 ! deuterium labelled relationship: is_partially_reacted XLMOD:00011 ! hydrolyzed relationship: is_side_product_of XLMOD:02030 ! DSP-d8 [Term] id: XLMOD:01036 name: ammonium amidated DSP-d8 def: "Ammonium amidated deuterium-labelled dithiobis[succinimidyl propionate." [PSI:XL] property_value: deadEndFormula: "C6 D8 H1 N1 O2 S2" xsd:string property_value: monoIsotopicMass: "199.05763" xsd:double is_a: XLMOD:00095 ! ammonium amidation cross-linker related chemical modification relationship: is_labelled XLMOD:00010 ! deuterium labelled relationship: is_partially_reacted XLMOD:00021 ! ammonium amidated relationship: is_side_product_of XLMOD:02030 ! DSP-d8 [Term] id: XLMOD:01037 name: hydrolyzed Sulfo-EGS def: "Hydrolyzed ethylene glycolbis(sulfosuccinimidylsuccinate)." [PSI:XL] property_value: deadEndFormula: "C10 H12 O7" xsd:string property_value: monoIsotopicMass: "244.0583028" xsd:double is_a: XLMOD:00096 ! hydrolization cross-linker related chemical modification relationship: is_partially_reacted XLMOD:00011 ! hydrolyzed relationship: is_side_product_of XLMOD:02035 ! Sulfo-EGS [Term] id: XLMOD:01038 name: ammonium amidated Sulfo-EGS def: "Ammonium amidated ethylene glycolbis(sulfosuccinimidylsuccinate)." [PSI:XL] property_value: deadEndFormula: "C10 H12 N1 O6" xsd:string property_value: monoIsotopicMass: "243.07428" xsd:double is_a: XLMOD:00095 ! ammonium amidation cross-linker related chemical modification relationship: is_partially_reacted XLMOD:00021 ! ammonium amidated relationship: is_side_product_of XLMOD:02035 ! Sulfo-EGS [Term] id: XLMOD:01039 name: hydrolyzed EGS-d12 def: "Deuterium labelled hydrolyzed ethylene glycolbis(succinimidylsuccinate)." [PSI:XL] property_value: deadEndFormula: "C10 D12 O7" xsd:string property_value: monoIsotopicMass: "256.13403" xsd:double is_a: XLMOD:00096 ! hydrolization cross-linker related chemical modification relationship: is_labelled XLMOD:00010 ! deuterium labelled relationship: is_partially_reacted XLMOD:00011 ! hydrolyzed relationship: is_side_product_of XLMOD:02050 ! EGS-d12 [Term] id: XLMOD:01040 name: ammonium amidated EGS-d12 def: "Deuterium labelled ammonium amidated ethylene glycolbis(succinimidylsuccinate)." [PSI:XL] property_value: deadEndFormula: "C10 D12 N1 O6" xsd:string property_value: monoIsotopicMass: "255.15001" xsd:double is_a: XLMOD:00095 ! ammonium amidation cross-linker related chemical modification relationship: is_labelled XLMOD:00010 ! deuterium labelled relationship: is_partially_reacted XLMOD:00021 ! ammonium amidated relationship: is_side_product_of XLMOD:02050 ! EGS-d12 [Term] id: XLMOD:01041 name: hydrolyzed Sulfo-EGS-d12 def: "Deuterium labelled hydrolyzed ethylene glycolbis(sulfosuccinimidylsuccinate)." [PSI:XL] property_value: deadEndFormula: "C10 D12 O7" xsd:string property_value: monoIsotopicMass: "256.13403" xsd:double is_a: XLMOD:00096 ! hydrolization cross-linker related chemical modification relationship: is_labelled XLMOD:00010 ! deuterium labelled relationship: is_partially_reacted XLMOD:00011 ! hydrolyzed relationship: is_side_product_of XLMOD:02050 ! Sulfo-EGS-d12 [Term] id: XLMOD:01042 name: ammonium amidated Sulfo-EGS-d12 def: "Deuterium labelled ammonium amidated ethylene glycolbis(sulfosuccinimidylsuccinate)." [PSI:XL] property_value: deadEndFormula: "C10 D12 N1 O6" xsd:string property_value: monoIsotopicMass: "255.15001" xsd:double is_a: XLMOD:00095 ! ammonium amidation cross-linker related chemical modification relationship: is_labelled XLMOD:00010 ! deuterium labelled relationship: is_partially_reacted XLMOD:00021 ! ammonium amidated relationship: is_side_product_of XLMOD:02050 ! Sulfo-EGS-d12 [Term] id: XLMOD:01043 name: hydrolyzed DSA-13C6 def: "Hydrolyzed 13C labelled disuccinimidyladipic acid." [PSI:XL] property_value: deadEndFormula: "13C6 H8 O3" xsd:string property_value: monoIsotopicMass: "134.06696" xsd:double is_a: XLMOD:00096 ! hydrolization cross-linker related chemical modification relationship: is_labelled XLMOD:00036 ! 13C labelled relationship: is_partially_reacted XLMOD:00011 ! hydrolyzed relationship: is_side_product_of XLMOD:02054 ! DSA-13C6 [Term] id: XLMOD:01044 name: ammonium amidated DSA-13C6 def: "Ammonium amidated 13C labelled disuccinimidyladipic acid." [PSI:XL] property_value: deadEndFormula: "13C6 H9 N1 O2" xsd:string property_value: monoIsotopicMass: "133.08294" xsd:double is_a: XLMOD:00095 ! ammonium amidation cross-linker related chemical modification relationship: is_labelled XLMOD:00036 ! 13C labelled relationship: is_partially_reacted XLMOD:00021 ! ammonium amidated relationship: is_side_product_of XLMOD:02054 ! DSA-13C6 [Term] id: XLMOD:01045 name: hydrolyzed CBDPS-d8 def: "Deuterium labelled hydrolyzed cyanurbiotindipropionylsuccinimide." [PMID:20622150] property_value: deadEndFormula: "C19 D8 H17 N7 O5 S3" xsd:string property_value: monoIsotopicMass: "535.15754" xsd:double is_a: XLMOD:00096 ! hydrolization cross-linker related chemical modification relationship: has_handle XLMOD:00051 ! biotin relationship: is_labelled XLMOD:00010 ! deuterium labelled relationship: is_partially_reacted XLMOD:00011 ! hydrolyzed relationship: is_side_product_of XLMOD:02055 ! CBDPS-d8 [Term] id: XLMOD:01046 name: ammonium amidated CBDPS-d8 def: "Deuterium labelled ammonium amidated cyanurbiotindipropionylsuccinimide." [PMID:20622150] property_value: deadEndFormula: "C19 D8 H17 N8 O4 S3" xsd:string property_value: monoIsotopicMass: "534.17352 xsd:double is_a: XLMOD:00095 ! ammonium amidation cross-linker related chemical modification relationship: has_handle XLMOD:00051 ! biotin relationship: is_labelled XLMOD:00010 ! deuterium labelled relationship: is_partially_reacted XLMOD:00021 ! ammonium amidated relationship: is_side_product_of XLMOD:02055 ! CBDPS-d8 [Term] id: XLMOD:01047 name: hydrolyzed CBDPSS def: "Hydrolyzed cyanurbiotindimercaptopropionylsulfosuccinimide." [PMID:20622150] property_value: deadEndFormula: "C19 H25 N7 O5 S3" xsd:string property_value: monoIsotopicMass: "527.10738" xsd:double is_a: XLMOD:00096 ! hydrolization cross-linker related chemical modification relationship: has_handle XLMOD:00051 ! biotin relationship: is_partially_reacted XLMOD:00011 ! hydrolyzed relationship: is_side_product_of XLMOD:02056 ! CBDPSS [Term] id: XLMOD:01048 name: ammonium amidated CBDPSS def: "Ammonium amidated cyanurbiotindimercaptopropionylsulfosuccinimide." [PMID:20622150] property_value: deadEndFormula: "C19 H25 N8 O4 S3" xsd:string property_value: monoIsotopicMass: "526.12336" xsd:double is_a: XLMOD:00095 ! ammonium amidation cross-linker related chemical modification relationship: has_handle XLMOD:00051 ! biotin relationship: is_partially_reacted XLMOD:00021 ! ammonium amidated relationship: is_side_product_of XLMOD:02056 ! CBDPSS [Term] id: XLMOD:01049 name: hydrolyzed CBDPSS-d8 def: "Deuterium labelled hydrolyzed cyanurbiotindimercaptopropionylsulfosuccinimide." [PMID:20622150] property_value: deadEndFormula: "C19 D8 H17 N7 O5 S3" xsd:string property_value: monoIsotopicMass: "535.15754" xsd:double is_a: XLMOD:00096 ! hydrolization cross-linker related chemical modification relationship: has_handle XLMOD:00051 ! biotin relationship: is_labelled XLMOD:00010 ! deuterium labelled relationship: is_partially_reacted XLMOD:00011 ! hydrolyzed relationship: is_side_product_of XLMOD:02057 ! CBDPSS-d8 [Term] id: XLMOD:01050 name: ammonium amidated CBDPSS-d8 def: "Deuterium labelled ammonium amidated cyanurbiotindimercaptopropionylsulfosuccinimide." [PMID:20622150] property_value: deadEndFormula: "C19 D8 H17 N8 O4 S3" xsd:string property_value: monoIsotopicMass: "534.17352 xsd:double is_a: XLMOD:00095 ! ammonium amidation cross-linker related chemical modification relationship: has_handle XLMOD:00051 ! biotin relationship: is_labelled XLMOD:00010 ! deuterium labelled relationship: is_partially_reacted XLMOD:00021 ! ammonium amidated relationship: is_side_product_of XLMOD:02057 ! CBDPSS-d8 [Term] id: XLMOD:01051 name: hydrolyzed BS3-d12 def: "Deuterium labelled hydrolyzed bis(sulfosuccinimidyl) 2,2,3,3,4,4,5,5,6,6,7,7-suberate." [PSI:XL] property_value: deadEndFormula: "C8 D12 O3" xsd:string property_value: monoIsotopicMass: "168.15437" xsd:double is_a: XLMOD:00096 ! hydrolization cross-linker related chemical modification relationship: is_labelled XLMOD:00010 ! deuterium labelled relationship: is_partially_reacted XLMOD:00011 ! hydrolyzed relationship: is_side_product_of XLMOD:02064 ! BS3-d12 [Term] id: XLMOD:01052 name: ammonium amidated BS3-d12 def: "Deuterium labelled ammonium amidated bis(sulfosuccinimidyl) 2,2,3,3,4,4,5,5,6,6,7,7-suberate." [PSI:XL] property_value: deadEndFormula: "C8 D12 H1 N1 O2" xsd:string property_value: monoIsotopicMass: "167.17035" xsd:double is_a: XLMOD:00095 ! ammonium amidation cross-linker related chemical modification relationship: is_labelled XLMOD:00010 ! deuterium labelled relationship: is_partially_reacted XLMOD:00021 ! ammonium amidated relationship: is_side_product_of XLMOD:02064 ! BS3-d12 [Term] id: XLMOD:01053 name: hydrolyzed DSG-d6 def: "Deuterium labelled hydrolyzed disuccinimidyl 2,2,3,3,4,4-glutarate." [PSI:XL] property_value: deadEndFormula: "C5 D6 O3" xsd:string property_value: monoIsotopicMass: "120.07483" xsd:double is_a: XLMOD:00096 ! hydrolization cross-linker related chemical modification relationship: is_labelled XLMOD:00010 ! deuterium labelled relationship: is_partially_reacted XLMOD:00011 ! hydrolyzed relationship: is_side_product_of XLMOD:02065 ! DSG-d6 [Term] id: XLMOD:01054 name: ammonium amidated DSG-d6 def: "Deuterium labelled ammonium amidated disuccinimidyl 2,2,3,3,4,4-glutarate." [PSI:XL] property_value: deadEndFormula: "C5 D6 H1 N1 O2" xsd:string property_value: monoIsotopicMass: "119.09081" xsd:double is_a: XLMOD:00095 ! ammonium amidation cross-linker related chemical modification relationship: is_labelled XLMOD:00010 ! deuterium labelled relationship: is_partially_reacted XLMOD:00021 ! ammonium amidated relationship: is_side_product_of XLMOD:02065 ! DSG-d6 [Term] id: XLMOD:01055 name: hydrolyzed BS2G-d6 def: "Deuterium labelled hydrolyzed bis(sulfosuccinimidyl) 2,2,3,3,4,4-glutarate." [PSI:XL] property_value: deadEndFormula: "C5 D6 O3" xsd:string property_value: monoIsotopicMass: "120.06877" xsd:double is_a: XLMOD:00096 ! hydrolization cross-linker related chemical modification relationship: is_labelled XLMOD:00010 ! deuterium labelled relationship: is_partially_reacted XLMOD:00011 ! hydrolyzed relationship: is_side_product_of XLMOD:02066 ! BS2G-d6 [Term] id: XLMOD:01056 name: ammonium amidated BS2G-d6 def: "Deuterium labelled ammonium amidated bis(sulfosuccinimidyl) 2,2,3,3,4,4-glutarate." [PSI:XL] property_value: deadEndFormula: "C5 D6 H1 N1 O2" xsd:string property_value: monoIsotopicMass: "119.08475" xsd:double is_a: XLMOD:00095 ! ammonium amidation cross-linker related chemical modification relationship: is_labelled XLMOD:00010 ! deuterium labelled relationship: is_partially_reacted XLMOD:00021 ! ammonium amidated relationship: is_side_product_of XLMOD:02066 ! BS2G-d6 [Term] id: XLMOD:01057 name: hydrolyzed SDH def: "Hydrolyzed Suberic acid 1,8-dihydrazide." [PMID:24938783] property_value: deadEndFormula: "C8 H16 N4 O1" xsd:string property_value: monoIsotopicMass: "184.13241119" xsd:double is_a: XLMOD:00096 ! hydrolization cross-linker related chemical modification relationship: is_partially_reacted XLMOD:00011 ! hydrolyzed relationship: is_side_product_of XLMOD:02058 ! SDH [Term] id: XLMOD:01058 name: hydrolyzed SDH-d12 def: "Deuterium labelled hydrolyzed suberic acid 1,8-dihydrazide." [PMID:24938783] property_value: deadEndFormula: "C8 D12 H4 N4 O1" xsd:string property_value: monoIsotopicMass: "196.207732118" xsd:double is_a: XLMOD:00096 ! hydrolization cross-linker related chemical modification relationship: is_labelled XLMOD:00010 ! deuterium labelled relationship: is_partially_reacted XLMOD:00011 ! hydrolyzed relationship: is_side_product_of XLMOD:02059 ! SDH-d12 [Term] id: XLMOD:01059 name: hydrolyzed ADH def: "Hydrolyzed adipic acid 1,6-dihydrazide." [PMID:24938783] property_value: deadEndFormula: "C6 H12 N4 O1" xsd:string property_value: monoIsotopicMass: "156.10111105" xsd:double is_a: XLMOD:00096 ! hydrolization cross-linker related chemical modification relationship: is_partially_reacted XLMOD:00011 ! hydrolyzed relationship: is_side_product_of XLMOD:02060 ! ADH [Term] id: XLMOD:01060 name: hydrolyzed ADH-d8 def: "Deuterium labelled hydrolyzed adipic acid 1,6-dihydrazide." [PMID:24938783] property_value: deadEndFormula: "C6 D8 H4 N4 O1" xsd:string property_value: monoIsotopicMass: "164.151325002" xsd:double is_a: XLMOD:00096 ! hydrolization cross-linker related chemical modification relationship: is_labelled XLMOD:00010 ! deuterium labelled relationship: is_partially_reacted XLMOD:00011 ! hydrolyzed relationship: is_side_product_of XLMOD:02060 ! ADH-d8 [Term] id: XLMOD:01061 name: hydrolyzed GDH def: "Hydrolyzed glutaric acid 1,5-dihydrazide." [PMID:24938783] property_value: deadEndFormula: "C5 H10 N4 O1" xsd:string property_value: monoIsotopicMass: "142.08546098" xsd:double is_a: XLMOD:00096 ! hydrolization cross-linker related chemical modification relationship: is_partially_reacted XLMOD:00011 ! hydrolyzed relationship: is_side_product_of XLMOD:02062 ! GDH [Term] id: XLMOD:01062 name: hydrolyzed GDH-d6 def: "Deuterium labelled hydrolyzed glutaric acid 1,5-dihydrazide." [PMID:24938783] property_value: deadEndFormula: "C5 D6 H4 N4 O1" xsd:string property_value: monoIsotopicMass: "148.123121444" xsd:double is_a: XLMOD:00096 ! hydrolization cross-linker related chemical modification relationship: is_labelled XLMOD:00010 ! deuterium labelled relationship: is_partially_reacted XLMOD:00011 ! hydrolyzed relationship: is_side_product_of XLMOD:02063 ! GDH-d6 [Term] id: XLMOD:01063 name: hydrolyzed BCCL1 def: "Hydrolyzed bis-(N-hydroxysuccinimidyl) 3-amino-N-biotinoyl-1,5-pentanedioate." [PMID:19412923] property_value: monoIsotopicMass: "355.12019" xsd:double is_a: XLMOD:00096 ! hydrolization cross-linker related chemical modification relationship: has_handle XLMOD:00051 ! biotin relationship: is_partially_reacted XLMOD:00011 ! hydrolyzed relationship: is_side_product_of XLMOD:02108 ! BCCL1 [Term] id: XLMOD:01064 name: hydrolyzed BCCL2 def: "Hydrolyzed bis-(N-hydroxysuccinimidyl) 5-amino-N-biotinoyl-1,9-nonanedioate." [PMID:19412923] property_value: monoIsotopicMass: "411.18179" xsd:double is_a: XLMOD:00096 ! hydrolization cross-linker related chemical modification relationship: has_handle XLMOD:00051 ! biotin relationship: is_partially_reacted XLMOD:00011 ! hydrolyzed relationship: is_side_product_of XLMOD:02109 ! BCCL2 [Term] id: XLMOD:01065 name: hydrolyzed IRCX def: "Hydrolyzed dibenzoyloxysuccinimidylethyl phosphate." [PMID:18517224] property_value: monoIsotopicMass: "348.0" xsd:double is_a: XLMOD:00096 ! hydrolization cross-linker related chemical modification relationship: is_partially_reacted XLMOD:00011 ! hydrolyzed relationship: is_side_product_of XLMOD:02116 ! ICRX [Term] id: XLMOD:01066 name: hydrolyzed azide-DSG def: "Hydrolyzed bis(succinimidyl)-3-azidomethyl glutarate." [PMID:20472459] property_value: monoIsotopicMass: "229.0" xsd:double is_a: XLMOD:00096 ! hydrolization cross-linker related chemical modification relationship: is_partially_reacted XLMOD:00011 ! hydrolyzed relationship: is_side_product_of XLMOD:02118 ! azide-DSG [Term] id: XLMOD:01067 name: hydrolyzed JMV 3378 def: "Hydrolyzed crosslinking reagent JMV 3378." [PMID:19902427] property_value: monoIsotopicMass: "286.0" xsd:double is_a: XLMOD:00096 ! hydrolization cross-linker related chemical modification relationship: is_partially_reacted XLMOD:00011 ! hydrolyzed relationship: is_side_product_of XLMOD:02120 ! JMV 3378 [Term] id: XLMOD:01068 name: hydrolyzed BuTuGPG def: "Hydrolyzed 4-[3-(2-{2-[(2,5-dioxo-pyrrolidin-1-yloxycarbonyl-methyl)-carbamoyl]-pyrrolidin-1-yl}-2-oxo-ethyl)-thioureido]-butyric acid 2,5-dioxo-pyrrolidin-1-yl ester." [PMID:19950134] property_value: monoIsotopicMass: "1704.86" xsd:double is_a: XLMOD:00096 ! hydrolization cross-linker related chemical modification relationship: is_partially_reacted XLMOD:00011 ! hydrolyzed relationship: is_side_product_of XLMOD:02121 ! BuTuGPG [Term] id: XLMOD:01069 name: hydrolyzed BuUrBu def: "Hydrolyzed NHS-amino butyric acid-urea-amino butyric acid-NHS." [PMID:21157862] is_a: XLMOD:00096 ! hydrolization cross-linker related chemical modification relationship: is_partially_reacted XLMOD:00011 ! hydrolyzed relationship: is_side_product_of XLMOD:02122 ! BuUrBu [Term] id: XLMOD:01070 name: hydrolyzed DEST def: "Hydrolyzed diethylsuberthioimidate." [PMID:20795639, PMID:22460622] property_value: deadEndFormula: "C8 H14 N2 O1" xsd:string property_value: monoIsotopicMass: "154.11061312" xsd:double is_a: XLMOD:00096 ! hydrolization cross-linker related chemical modification relationship: is_partially_reacted XLMOD:00011 ! hydrolyzed relationship: is_side_product_of XLMOD:02129 ! DEST [Term] id: XLMOD:01071 name: ammonium amidated DEST def: "Ammonium amidated diethylsuberthioimidate." [PMID:20795639, PMID:22460622] property_value: deadEndFormula: "C8 H15 N3" xsd:string property_value: monoIsotopicMass: "153.126593" xsd:double is_a: XLMOD:00095 ! ammonium amidation cross-linker related chemical modification relationship: is_partially_reacted XLMOD:00021 ! ammonium amidated relationship: is_side_product_of XLMOD:02129 ! DEST [Term] id: XLMOD:01072 name: thioesterized DEST def: "Thioesterized diethylsuberthioimidate." [PMID:20795639, PMID:22460622] property_value: deadEndFormula: "C10 H17 N1 O1 S1" xsd:string property_value: monoIsotopicMass: "199.103084925" xsd:double is_a: XLMOD:00098 ! thioesterization cross-linker related chemical modification relationship: is_partially_reacted XLMOD:00047 ! thioesterized relationship: is_side_product_of XLMOD:02129 ! DEST [Term] id: XLMOD:01073 name: hydrolyzed BS(PEG)5 def: "Hydrolyzed bis(sulfosuccinimidyl)suberate pentaethyleneglycol." [PSI:XL] property_value: deadEndFormula: "C14 H24 O8" xsd:string property_value: monoIsotopicMass: "320.1471147" xsd:double is_a: XLMOD:00096 ! hydrolization cross-linker related chemical modification relationship: is_partially_reacted XLMOD:00011 ! hydrolyzed relationship: is_side_product_of XLMOD:02198 ! BS(PEG)5 [Term] id: XLMOD:01074 name: ammonium amidated BS(PEG)5 def: "Ammonium amidated bis(sulfosuccinimidyl)suberate pentaethyleneglycol." [PSI:XL] property_value: deadEndFormula: "C14 H27 N1 O7" xsd:string property_value: monoIsotopicMass: "320.1471147" xsd:double is_a: XLMOD:00095 ! ammonium amidation cross-linker related chemical modification relationship: is_partially_reacted XLMOD:00021 ! ammonium amidated relationship: is_side_product_of XLMOD:02198 ! BS(PEG)5 [Term] id: XLMOD:01075 name: hydrolyzed BSOCOES def: "Hydrolyzed bis(2-[Succinimidooxycarbonyloxy]ethyl) sulfone." [PSI:XL] property_value: deadEndFormula: "C6 H8 O7 S1" xsd:string property_value: monoIsotopicMass: "223.9990767" xsd:double is_a: XLMOD:00096 ! hydrolization cross-linker related chemical modification relationship: is_partially_reacted XLMOD:00011 ! hydrolyzed relationship: is_side_product_of XLMOD:02079 ! BSOCOES [Term] id: XLMOD:01076 name: ammonium amidated BSOCOES def: "Ammonium amidated bis(2-[Succinimidooxycarbonyloxy]ethyl) sulfone." [PSI:XL] property_value: deadEndFormula: "C6 H9 N1 O6 S1" xsd:string property_value: monoIsotopicMass: "223.015061105" xsd:double is_a: XLMOD:00095 ! ammonium amidation cross-linker related chemical modification relationship: is_partially_reacted XLMOD:00021 ! ammonium amidated relationship: is_side_product_of XLMOD:02079 ! BSOCOES [Term] id: XLMOD:01077 name: hydrolyzed DST def: "Hydrolyzed disuccinimidyl tartrate." [PSI:XL] property_value: deadEndFormula: "C4 H4 O5" xsd:string property_value: monoIsotopicMass: "132.0058747" xsd:double is_a: XLMOD:00096 ! hydrolization cross-linker related chemical modification relationship: is_partially_reacted XLMOD:00011 ! hydrolyzed relationship: is_side_product_of XLMOD:02032 ! DST [Term] id: XLMOD:01078 name: ammonium amidated DST def: "Ammonium amidated disuccinimidyl tartrate." [PSI:XL] property_value: deadEndFormula: "C4 H5 N1 O4" xsd:string property_value: monoIsotopicMass: "131.021859105" xsd:double is_a: XLMOD:00095 ! ammonium amidation cross-linker related chemical modification relationship: is_partially_reacted XLMOD:00021 ! ammonium amidated relationship: is_side_product_of XLMOD:02032 ! DST [Term] id: XLMOD:01079 name: hydrolyzed SDA def: "Hydrolyzed succinimidyl-ester diazirine." [PSI:XL] property_value: deadEndFormula: "C5 H8 O2" xsd:string property_value: monoIsotopicMass: "100.05242954" xsd:double is_a: XLMOD:00096 ! hydrolization cross-linker related chemical modification relationship: is_partially_reacted XLMOD:00011 ! hydrolyzed relationship: is_side_product_of XLMOD:02138 ! SDA [Term] id: XLMOD:01080 name: oxidized SDA def: "Oxidized succinimidyl-ester diazirine." [PSI:XL] property_value: deadEndFormula: "C5 H6 O2" xsd:string property_value: monoIsotopicMass: "98.03677947" xsd:double is_a: XLMOD:00097 ! oxidation cross-linker related chemical modification relationship: is_partially_reacted XLMOD:00064 ! oxidized relationship: is_side_product_of XLMOD:02138 ! SDA [Term] id: XLMOD:01081 name: alkenized SDA def: "Alkenized succinimidyl-ester diazirine." [PSI:XL] property_value: deadEndFormula: "C4 H4 O1" xsd:string property_value: monoIsotopicMass: "68.02621477" xsd:double is_a: XLMOD:00094 ! alkenization cross-linker related chemical modification relationship: is_partially_reacted XLMOD:00065 ! alkenized relationship: is_side_product_of XLMOD:02138 ! SDA [Term] id: XLMOD:01082 name: hydrolyzed LC-SDA def: "Hydrolyzed LC-SDA." [PSI:XL] property_value: deadEndFormula: "C11 H19 N1 O3" xsd:string property_value: monoIsotopicMass: "213.136493555" xsd:double is_a: XLMOD:00096 ! hydrolization cross-linker related chemical modification relationship: is_partially_reacted XLMOD:00011 ! hydrolyzed relationship: is_side_product_of XLMOD:02139 ! LC-SDA [Term] id: XLMOD:01083 name: oxidized LC-SDA def: "Oxidized LC-SDA." [PSI:XL] property_value: deadEndFormula: "C11 H17 N1 O3" xsd:string property_value: monoIsotopicMass: "211.120843485" xsd:double is_a: XLMOD:00097 ! oxidation cross-linker related chemical modification relationship: is_partially_reacted XLMOD:00064 ! oxidized relationship: is_side_product_of XLMOD:02139 ! LC-SDA [Term] id: XLMOD:01084 name: alkenized LC-SDA def: "Alkenized LC-SDA." [PSI:XL] property_value: deadEndFormula: "C10 H15 N1 O2" xsd:string property_value: monoIsotopicMass: "181.110278785" xsd:double is_a: XLMOD:00094 ! alkenization cross-linker related chemical modification relationship: is_partially_reacted XLMOD:00065 ! alkenized relationship: is_side_product_of XLMOD:02139 ! LC-SDA [Term] id: XLMOD:01085 name: hydrolyzed L-Photo-Leucine def: "Hydrolyzed L-2-amino-4,4-azi-pentanoic acid." [PSI:XL] property_value: deadEndFormula: "-C1 -H2 O1" xsd:string property_value: monoIsotopicMass: "1.97926456" xsd:double is_a: XLMOD:00096 ! hydrolization cross-linker related chemical modification relationship: is_partially_reacted XLMOD:00011 ! hydrolyzed relationship: is_side_product_of XLMOD:01900 ! L-Photo-Leucine [Term] id: XLMOD:01086 name: oxidized L-Photo-Leucine def: "Oxidized L-2-amino-4,4-azi-pentanoic acid." [PSI:XL] property_value: deadEndFormula: "-C1 -H4 O1" xsd:string property_value: monoIsotopicMass: "-0.036385501" xsd:double is_a: XLMOD:00097 ! oxidation cross-linker related chemical modification relationship: is_partially_reacted XLMOD:00064 ! oxidized relationship: is_side_product_of XLMOD:01900 ! L-Photo-Leucine [Term] id: XLMOD:01087 name: alkenized L-Photo-Leucine def: "Alkenized L-2-amino-4,4-azi-pentanoic acid." [PSI:XL] property_value: deadEndFormula: "-C2 -H6" xsd:string property_value: monoIsotopicMass: "-30.04695021" xsd:double is_a: XLMOD:00094 ! alkenization cross-linker related chemical modification relationship: is_partially_reacted XLMOD:00065 ! alkenized relationship: is_side_product_of XLMOD:01900 ! L-Photo-Leucine [Term] id: XLMOD:01088 name: hydrolyzed L-Photo-Methionine def: "Hydrolyzed L-2-amino-5,5-azi-hexanoic acid." [PSI:XL] property_value: deadEndFormula: "C1 H2 O1 -S1" xsd:string property_value: monoIsotopicMass: "-1.96150744" xsd:double is_a: XLMOD:00096 ! hydrolization cross-linker related chemical modification relationship: is_partially_reacted XLMOD:00011 ! hydrolyzed relationship: is_side_product_of XLMOD:01901 ! L-Photo-Methionine [Term] id: XLMOD:01089 name: oxidized L-Photo-Methionine def: "Oxidized L-2-amino-5,5-azi-hexanoic acid." [PSI:XL] property_value: deadEndFormula: "C1 O1 -S1" xsd:string property_value: monoIsotopicMass: "-3.97715607" xsd:double is_a: XLMOD:00097 ! oxidation cross-linker related chemical modification relationship: is_partially_reacted XLMOD:00064 ! oxidized relationship: is_side_product_of XLMOD:01901 ! L-Photo-Methionine [Term] id: XLMOD:01090 name: alkenized L-Photo-Methionine def: "Alkenized L-2-amino-5,5-azi-hexanoic acid." [PSI:XL] property_value: deadEndFormula: "-H2 -S1" xsd:string property_value: monoIsotopicMass: "-33.98772221" xsd:double is_a: XLMOD:00094 ! alkenization cross-linker related chemical modification relationship: is_partially_reacted XLMOD:00065 ! alkenized relationship: is_side_product_of XLMOD:01901 ! L-Photo-Methionine [Term] id: XLMOD:01091 name: hydrolyzed BMOE def: "Hydrolyzed bis-Maleimidoethane." [PSI:XL] is_a: XLMOD:00096 ! hydrolization cross-linker related chemical modification relationship: is_partially_reacted XLMOD:00011 ! hydrolyzed relationship: is_side_product_of XLMOD:02188 ! BMOE [Term] id: XLMOD:01092 name: hydrolyzed BMPS def: "Hydrolyzed N-(beta-Maleimidopropyloxy)succinimide ester." [PSI:XL] property_value: bridgeFormula: "C7 H7 O4 N1" xsd:string property_value: monoIsotopicMass: "169.037507765" xsd:double is_a: XLMOD:00096 ! hydrolization cross-linker related chemical modification relationship: is_partially_reacted XLMOD:00011 ! hydrolyzed relationship: is_side_product_of XLMOD:02013 ! BMPS [Term] id: XLMOD:01093 name: ammonium amidated BMPS def: "Ammonium amidated N-(beta-Maleimidopropyloxy)succinimide ester." [PSI:XL] property_value: bridgeFormula: "C7 H8 O3 N2" xsd:string property_value: monoIsotopicMass: "168.05349217" xsd:double is_a: XLMOD:00095 ! ammonium amidation cross-linker related chemical modification relationship: is_partially_reacted XLMOD:00021 ! ammonium amidated relationship: is_side_product_of XLMOD:02013 ! BMPS [Term] id: XLMOD:01094 name: hydrolyzed PDH def: "Hydrolyzed pimelic acid dihydrazide." [PSI:XL] property_value: bridgeFormula: "C7 H12 N4" xsd:string property_value: monoIsotopicMass: "170.11676112" xsd:double is_a: XLMOD:00096 ! hydrolization cross-linker related chemical modification relationship: is_partially_reacted XLMOD:00011 ! hydrolyzed relationship: is_side_product_of XLMOD:02223 ! PDH [Term] id: XLMOD:01095 name: hydrolyzed PDH-d10 def: "Deuterium labelled hydrolyzed pimelic acid dihydrazide." [PSI:XL] property_value: bridgeFormula: "C7 D10 H2 N4" xsd:string property_value: doubletDeltaMass: "10.06276744" xsd:double property_value: monoIsotopicMass: "180.17952856" xsd:double is_a: XLMOD:00096 ! hydrolization cross-linker related chemical modification relationship: is_partially_reacted XLMOD:00011 ! hydrolyzed relationship: is_side_product_of XLMOD:02224 ! PDH-d10 relationship: is_labelled XLMOD:00010 ! deuterium labelled [Term] id: XLMOD:01096 name: hydrolyzed SuDP def: "Hydrolyzed disuccinimidyl-succinamyl-aspartyl-proline." [PMID:26091612] property_value: monoIsotopicMass: "294.0852" xsd:double is_a: XLMOD:00096 ! hydrolization cross-linker related chemical modification relationship: is_partially_reacted XLMOD:00011 ! hydrolyzed relationship: is_side_product_of XLMOD:02112 ! SuDP [Term] id: XLMOD:01097 name: hydrolyzed L-Photo-Isoleucine def: "Hydrolyzed L-Photo-Isoleucine." [PSI:XL] property_value: deadEndFormula: "-C1 -H2 O1" xsd:string property_value: monoIsotopicMass: "1.97926456" xsd:double is_a: XLMOD:00096 ! hydrolization cross-linker related chemical modification relationship: is_partially_reacted XLMOD:00011 ! hydrolyzed relationship: is_side_product_of XLMOD:01902 ! L-Photo-Isoleucine [Term] id: XLMOD:01098 name: oxidized L-Photo-Isoleucine def: "Oxidized L-Photo-Isoleucine." [PSI:XL] property_value: deadEndFormula: "-C1 -H4 O1" xsd:string property_value: monoIsotopicMass: "-0.036385501" xsd:double is_a: XLMOD:00097 ! oxidation cross-linker related chemical modification relationship: is_partially_reacted XLMOD:00064 ! oxidized relationship: is_side_product_of XLMOD:01902 ! L-Photo-Isoleucine [Term] id: XLMOD:01099 name: alkenized L-Photo-Isoleucine def: "Alkenized L-Photo-Isoleucine." [PSI:XL] property_value: deadEndFormula: "-C2 -H6" xsd:string property_value: monoIsotopicMass: "-30.04695021" xsd:double is_a: XLMOD:00094 ! alkenization cross-linker related chemical modification relationship: is_partially_reacted XLMOD:00065 ! alkenized relationship: is_side_product_of XLMOD:01902 ! L-Photo-Isoleucine [Term] id: XLMOD:01100 name: hydrolyzed Sulfo-SBED def: "Hydrolyzed Sulfo-SBED cross-linker." [PMID:16246579] property_value: monoIsotopicMass: "652.217" xsd:double is_a: XLMOD:00096 ! hydrolization cross-linker related chemical modification relationship: has_handle XLMOD:00051 ! biotin relationship: is_partially_reacted XLMOD:00011 ! hydrolyzed relationship: is_side_product_of XLMOD:03002 ! Sulfo-SBED [Term] id: XLMOD:01101 name: hydrolyzed PIR def: "Hydrolized Protein Interaction Reporter." [PMID:15623310] property_value: CID_Fragment: "828.5" xsd:double is_a: XLMOD:00096 ! hydrolization cross-linker related chemical modification relationship: is_cleavable XLMOD:00035 ! CID cleavable relationship: is_partially_reacted XLMOD:00011 ! hydrolyzed relationship: is_side_product_of XLMOD:02237 ! PIR [Term] id: XLMOD:01102 name: hydrolized PL def: "Hydrolyzed photo-cleavable Leiker." [PMID:26952210, PMID:27734140] property_value: monoIsotopicMass: "334.15" xsd:double is_a: XLMOD:00096 ! hydrolization cross-linker related chemical modification relationship: is_cleavable XLMOD:00147 ! photocleavable relationship: is_partially_reacted XLMOD:00011 ! hydrolyzed relationship: is_side_product_of XLMOD:02227 ! PL [Term] id: XLMOD:01700 name: 8-methoxypsoralen def: "8-methoxypsoralen reagent." [CAS:298-81-7, PubChem_Compound:4114, ChemSpiderID:3971, ChemicalBookNo:CB6733540, PMID:9013628] synonym: "8-MOP" EXACT [] property_value: reactionSites: "1" xsd:nonNegativeInteger is_a: XLMOD:00100 ! reactive group relationship: is_activatable XLMOD:00149 ! photoactivatable [Term] id: XLMOD:01701 name: 4'-hydroxymethyl-4,5'8-trimethylpsoralen def: "4'-hydroxymethyl-4,5'8-trimethylpsoralen reagent." [CAS:62442-59-5, PubChem_Compound:104953, ChemSpiderID:94710, MDL:MFCD00036888, ChemicalBookNo:CB7358269, PMID:9013628] synonym: "HMT" EXACT [] property_value: reactionSites: "1" xsd:nonNegativeInteger is_a: XLMOD:00100 ! reactive group relationship: is_activatable XLMOD:00149 ! photoactivatable [Term] id: XLMOD:01702 name: 5-iodouracil def: "5-iodouracil reagent." [CAS:696-07-1, PubChem_Compound:69672, MDL:MFCD00006020, ChemSpiderID:62873, ChemicalBookNo:CB8771577, PMID:12476441, PMID:9013628] synonym: "5-IU" EXACT [] synonym: "5IU" EXACT [] property_value: reactionSites: "1" xsd:nonNegativeInteger is_a: XLMOD:00081 ! nucleobase derivative relationship: is_activatable XLMOD:00149 ! photoactivatable relationship: is_analog_of XLMOD:00080 ! uracil [Term] id: XLMOD:01703 name: 4-thiouracil def: "4-thiouracil reagent." [CAS:591-28-6, PubChem_Compound:2734394, MDL:MFCD00090842, ChemSpiderID:2016146, ChemicalBookNo:CB4469328, PMID:12476441, PMID:22575267] synonym: "4-SU" EXACT [] synonym: "4SU" EXACT [] property_value: reactionSites: "1" xsd:nonNegativeInteger is_a: XLMOD:00081 ! nucleobase derivative relationship: is_activatable XLMOD:00149 ! photoactivatable relationship: is_analog_of XLMOD:00080 ! uracil [Term] id: XLMOD:01704 name: 6-thioguanosine def: "6-thioguanosine reagent." [CAS:85-31-4, PubChem_Compound:2724387, ChemSpiderID:2006534, ChemicalBookNo:CB3722231, PMID:20946768, PMID:22575267] synonym: "6-SG" EXACT [] synonym: "6SG" EXACT [] property_value: reactionSites: "1" xsd:nonNegativeInteger is_a: XLMOD:00088 ! nucleoside derivative relationship: is_activatable XLMOD:00149 ! photoactivatable relationship: is_analog_of XLMOD:00084 ! guanosine [Term] id: XLMOD:01705 name: 5-bromouracil def: "5-bromouracil reagent." [CAS:51-20-7, PubChem_Compound:5802, ChemSpiderID:5597, Beilstein:127176, MDL:MFCD00006017, ChemicalBookNo:CB6388195, PMID:9145285, PMID:22575267] synonym: "5-BU" EXACT [] synonym: "5BU" EXACT [] property_value: reactionSites: "1" xsd:nonNegativeInteger is_a: XLMOD:00081 ! nucleobase derivative relationship: is_activatable XLMOD:00149 ! photoactivatable relationship: is_analog_of XLMOD:00080 ! uracil [Term] id: XLMOD:01706 name: 5-iodocytosine def: "5-iodocytosine reagent." [CAS:1122-44-7, PubChem_Compound:14281, MDL:MFCD00023162, ChemSpiderID:13643, ChemicalBookNo:CB9203633, PMID:9145285] synonym: "5-IC" EXACT [] synonym: "5IC" EXACT [] property_value: reactionSites: "1" xsd:nonNegativeInteger is_a: XLMOD:00088 ! nucleoside derivative relationship: is_activatable XLMOD:00149 ! photoactivatable relationship: is_analog_of XLMOD:00078 ! cytosine [Term] id: XLMOD:01707 name: 8-azidoadenosine def: "8-azidoadenosine reagent." [CAS:4372-67-2, ChemSpiderID:141244, ChemicalBookNo:CB7166563, PMID:9145285] property_value: reactionSites: "1" xsd:nonNegativeInteger is_a: XLMOD:00088 ! nucleoside derivative relationship: has_reactive_group XLMOD:00055 ! azide relationship: is_activatable XLMOD:00149 ! photoactivatable relationship: is_analog_of XLMOD:00083 ! adenosine [Term] id: XLMOD:01708 name: 2-azidoadenosine def: "2-azidoadenosine reagent." [CAS:59587-07-4, PubChem_Compound:510978, ChemicalBookNo:CB01175626, PMID:9145285] property_value: reactionSites: "1" xsd:nonNegativeInteger is_a: XLMOD:00088 ! nucleoside derivative relationship: has_reactive_group XLMOD:00055 ! azide relationship: is_activatable XLMOD:00149 ! photoactivatable relationship: is_analog_of XLMOD:00083 ! adenosine [Term] id: XLMOD:01709 name: 8-azidoguanosine def: "8-azidoguanosine reagent." [PubChem_Compound:23375450, ChemSpiderID:8034117, PMID:9145285] property_value: reactionSites: "1" xsd:nonNegativeInteger is_a: XLMOD:00088 ! nucleoside derivative relationship: has_reactive_group XLMOD:00055 ! azide relationship: is_activatable XLMOD:00149 ! photoactivatable relationship: is_analog_of XLMOD:00084 ! guanosine [Term] id: XLMOD:01710 name: 5-azidouridine def: "5-azidouridine reagent." [CAS:1261272-24-5, PubChem_Compound:20832934, ChemSpiderID:18697526, ChemicalBookNo:CB62543444, PMID:9145285] property_value: reactionSites: "1" xsd:nonNegativeInteger is_a: XLMOD:00088 ! nucleoside derivative relationship: has_reactive_group XLMOD:00055 ! azide relationship: is_activatable XLMOD:00149 ! photoactivatable relationship: is_analog_of XLMOD:00086 ! uridine [Term] id: XLMOD:01711 name: bis-[3-(2-ketobutyraldehyde)ether def: "bis-[3-(2-ketobutyraldehyde)ether reagent." [CAS:84031-85-6, PubChem_Compound:134685, ChemSpiderID:118706, ChemicalBookNo:CB81338982, PMID:16875836] synonym: "Bikethoxal" EXACT [] synonym: "BKT" EXACT [] property_value: monoIsotopicMass: "230.079" xsd:double property_value: reactionSites: "2" xsd:nonNegativeInteger property_value: spacerLength: "5.4" xsd:float is_a: XLMOD:00005 ! homofunctional cross-linker relationship: has_reactive_group XLMOD:00115 ! glyoxal [Term] id: XLMOD:01712 name: mechlorethamine def: "Mechlorethamine reagent." [CAS:55-86-7, PubChem_Compound:4033, MDL:MFCD00012517, ChemSpiderID:3893, ChemicalBookNo:CB5270716, PMID:16875836] synonym: "Nitrogen mustard" EXACT [] synonym: "NM" EXACT [] property_value: monoIsotopicMass: "83.073" xsd:double property_value: reactionSites: "2" xsd:nonNegativeInteger property_value: spacerLength: "9.5" xsd:float is_a: XLMOD:00005 ! homofunctional cross-linker relationship: has_reactive_group XLMOD:00153 ! chloroethyl [Term] id: XLMOD:01713 name: 4-[bis-(2-chloroethyl)amino]benzenebutanoic acid def: "4-[bis-(2-chloroethyl)amino]benzenebutanoic acid reagent." [CAS:305-03-3, PubChem_Compound:2708, Beilstein:999011, MDL:MFCD00021783, ChemSpiderID:2607, ChemicalBookNo:CB5270716, PMID:16875836] synonym: "Chlorambucil" EXACT [] synonym: "CHB" EXACT [] property_value: monoIsotopicMass: "231.126" xsd:double property_value: reactionSites: "2" xsd:nonNegativeInteger property_value: spacerLength: "9.5" xsd:float is_a: XLMOD:00005 ! homofunctional cross-linker relationship: has_reactive_group XLMOD:00153 ! chloroethyl [Term] id: XLMOD:01714 name: sym-triazine trichloride def: "Sym-triazine trichloride reagent." [CAS:108-80-5, PubChem_Compound:24851182, Beilstein:126982, MDL:MFCD00082990, ChemSpiderID:7668, ChemicalBookNo:CB5852763, PMID:16875836] synonym: "Cyanuric acid" EXACT [] synonym: "STT" EXACT [] property_value: monoIsotopicMass: "110.962" xsd:double property_value: reactionSites: "2" xsd:nonNegativeInteger property_value: spacerLength: "2.4" xsd:float is_a: XLMOD:00005 ! homofunctional cross-linker [Term] id: XLMOD:01715 name: Heteroconjugate 20 def: "Heteroconjugate 20 reagent." [PMID:26335278] synonym: "HC20" EXACT [] property_value: monoIsotopicMass: "1554.6871" xsd:double property_value: reactionSites: "2" xsd:nonNegativeInteger is_a: XLMOD:00005 ! bifunctional cross-linker relationship: has_handle XLMOD:00051 ! biotin [Term] id: XLMOD:01716 name: benzophenone-4-iodoacetamide def: "Benzophenone-4-iodoacetamide reagent." [CAS:76809-63-7, PubChem_Compound:131289, ChemicalBookNo:CB3488704, PMID:10208813] synonym: "BPI" EXACT [] property_value: reactionSites: "1" xsd:nonNegativeInteger is_a: XLMOD:00005 ! homofunctional cross-linker relationship: has_reactive_group XLMOD:00119 ! benzophenone relationship: is_activatable XLMOD:00149 ! photoactivatable [Term] id: XLMOD:01717 name: azidophenacyl bromide def: "Azidophenacyl bromide reagent." [CAS:57018-46-9, PubChem_Compound:92627, Beilstein:1961705, MDL:MFCD00042637, ChemSpiderID:83619, ChemicalBookNo:CB3120420, PMID:10208813] synonym: "APB" EXACT [] property_value: reactionSites: "1" xsd:nonNegativeInteger is_a: XLMOD:00005 ! homofunctional cross-linker relationship: has_fluorophore XLMOD:06110 ! phenacyl relationship: has_reactive_group XLMOD:00126 ! phenyl azide relationship: is_activatable XLMOD:00149 ! photoactivatable [Term] id: XLMOD:01718 name: benzophenone-phosphatidylcholine def: "Benzophenone-phosphatidylcholine." [PMID:19171301] synonym: "benzophenone-PC" EXACT [] property_value: reactionSites: "1" xsd:nonNegativeInteger is_a: XLMOD:00092 ! lipid analogue relationship: has_reactive_group XLMOD:00119 ! benzophenone relationship: is_activatable XLMOD:00149 ! photoactivatable [Term] id: XLMOD:01719 name: phenylazide-phosphatidylcholine def: "Phenylazide-phosphatidylcholine." [PMID:19171301] synonym: "phenylazide-PC" EXACT [] property_value: reactionSites: "1" xsd:nonNegativeInteger is_a: XLMOD:00092 ! lipid analogue relationship: has_reactive_group XLMOD:00126 ! phenyl azide relationship: is_activatable XLMOD:00149 ! photoactivatable [Term] id: XLMOD:01720 name: N-(4-azidosalicylamidyl)-1,2-dilauroyl-sn-glycero-3-phosphoethanolamine def: "The N-(4-azidosalicylamidyl)-1,2-dilauroyl-sn-glycero-3-phosphoethanolamine lipid analogue used for lipid-protein cross-linking." [PMID:19171301] synonym: "ASA" EXACT [] is_a: XLMOD:00092 ! lipid analogue [Term] id: XLMOD:01721 name: Ac5-5-SiaDAz def: "The Ac5-5-SiaDAz sialic acid analogue used for glycan-protein cross-linking." [PMID:18293988, PMID:19536272] is_a: XLMOD:00093 ! sialic acid analogue [Term] id: XLMOD:01722 name: Ac4-ManNDAz def: "The Ac4-ManNDAz sialic acid analogue used for glycan-protein cross-linking." [PMID:18293988, PMID:19536272, PMID:20816498] is_a: XLMOD:00093 ! sialic acid analogue [Term] id: XLMOD:01723 name: Ac4-ManNAc def: "The Ac4-ManNAc sialic acid analogue used for glycan-protein cross-linking." [PMID:19536272] is_a: XLMOD:00093 ! sialic acid analogue [Term] id: XLMOD:01724 name: Ac4-GlcNDAz def: "The Ac4-GlcNDAz sialic acid analogue used for glycan-protein cross-linking." [PMID:19536272, PMID:20816498] is_a: XLMOD:00093 ! sialic acid analogue [Term] id: XLMOD:01725 name: Ac5-methyl-SiaDAz def: "The Ac5-methyl-SiaDAz sialic acid analogue used for glycan-protein cross-linking." [PMID:20816498] is_a: XLMOD:00093 ! sialic acid analogue [Term] id: XLMOD:01726 name: sialylated LacNAc-biotin def: "Sialylated LacNAc-biotin used for glycan-protein cross-linking." [PMID:26541974] is_a: XLMOD:00093 ! sialic acid analogue [Term] id: XLMOD:01800 name: Psoralen-PEG3-Biotin def: "Psoralen-PEG3-Biotin biotinylation reagent." [PSI:XL] property_value: hydrophilicPEGchain: "3" xsd:nonNegativeInteger property_value: reactionSites: "1" xsd:nonNegativeInteger property_value: spacerLength: "36.86" xsd:float is_a: XLMOD:00003 ! label transfer reagent relationship: has_handle XLMOD:00051 ! biotin relationship: has_property XLMOD:00014 ! hydrophilic relationship: has_reactive_group XLMOD:00134 ! psoralen [Term] id: XLMOD:01801 name: Photoactivatable Biotin def: "Photoactivatable Biotin biotinylation reagent." [PSI:XL] property_value: reactionSites: "1" xsd:nonNegativeInteger property_value: spacerLength: "30.0" xsd:float is_a: XLMOD:00003 ! label transfer reagent relationship: has_handle XLMOD:00051 ! biotin relationship: has_reactive_group XLMOD:00107 ! nitrophenyl azide relationship: is_activatable XLMOD:00149 ! photoactivatable [Term] id: XLMOD:01802 name: TFPA-PEG3-Biotin def: "TFPA-PEG3-Biotin biotinylation reagent." [CAS:1264662-85-2, ChemSpiderID:59757057] property_value: hydrophilicPEGchain: "3" xsd:nonNegativeInteger property_value: reactionSites: "1" xsd:nonNegativeInteger property_value: spacerLength: "33.4" xsd:float is_a: XLMOD:00003 ! label transfer reagent relationship: has_handle XLMOD:00051 ! biotin relationship: has_property XLMOD:00014 ! hydrophilic relationship: has_reactive_group XLMOD:00118 ! tetrafluorophenyl azide [Term] id: XLMOD:01803 name: Biotin-LC-ASA def: "1-(4-azidosalicylamido)-6(biotinamido)-hexane." [ChemicalBookNo:CB9438943] synonym: "Biotin-Long Chain-ASA" EXACT [] property_value: reactionSites: "1" xsd:nonNegativeInteger property_value: spacerLength: "29.9" xsd:float is_a: XLMOD:00003 ! label transfer reagent relationship: has_handle XLMOD:00051 ! biotin relationship: has_property XLMOD:00020 ! iodinatable relationship: has_reactive_group XLMOD:00125 ! hydroxyphenyl azide [Term] id: XLMOD:01804 name: Sulfo-NHS-Biotin def: "Biotin 3-sulfo-N-hydroxysuccinimide ester sodium salt." [CAS:119616-38-5, PubChem_Compound:56846292, ChemSpiderID:28568147, ChemicalBookNo:CB8277468] synonym: "Sulfosuccinimidyl biotin" EXACT [] synonym: "N-Hydroxysulfosuccinimidobiotin" EXACT [] property_value: reactionSites: "1" xsd:nonNegativeInteger property_value: spacerLength: "13.5" xsd:float is_a: XLMOD:00003 ! label transfer reagent relationship: has_handle XLMOD:00051 ! biotin relationship: has_property XLMOD:00014 ! hydrophilic relationship: has_reactive_group XLMOD:00102 ! Sulfo NHS ester [Term] id: XLMOD:01805 name: Sulfo-NHS-LC-Biotin def: "Sulfo-NHS-LC-Biotin biotinylation reagent." [CAS:127062-22-0, PubChem_Compound:71571497, ChemSpiderID:29788101, ChemicalBookNo:CB7387089] synonym: "Long chain Sulfo-NHS-Biotin" EXACT [] property_value: reactionSites: "1" xsd:nonNegativeInteger property_value: spacerLength: "22.4" xsd:float is_a: XLMOD:00003 ! label transfer reagent relationship: has_handle XLMOD:00051 ! biotin relationship: has_property XLMOD:00014 ! hydrophilic relationship: has_reactive_group XLMOD:00102 ! Sulfo NHS ester [Term] id: XLMOD:01806 name: NHS-PEG12-Biotin def: "NHS-PEG12-Biotin biotinylation reagent." [CAS:365441-71-0, PubChem_Compound:58481068, ChemSpiderID:29354431, ChemicalBookNo:CB52546796] synonym: "Biotin-PEG12-NHS ester" EXACT [] property_value: hydrophilicPEGchain: "12" xsd:nonNegativeInteger property_value: reactionSites: "1" xsd:nonNegativeInteger property_value: spacerLength: "56" xsd:float is_a: XLMOD:00003 ! label transfer reagent relationship: has_handle XLMOD:00051 ! biotin relationship: has_property XLMOD:00014 ! hydrophilic relationship: has_reactive_group XLMOD:00101 ! NHS ester [Term] id: XLMOD:01807 name: NHS-SS-PEG4-Biotin def: "NHS-SS-PEG4-Biotin biotinylation reagent." [PSI:XL] property_value: hydrophilicPEGchain: "4" xsd:nonNegativeInteger property_value: reactionSites: "1" xsd:nonNegativeInteger property_value: spacerLength: "37.9" xsd:float is_a: XLMOD:00003 ! label transfer reagent relationship: has_handle XLMOD:00051 ! biotin relationship: has_property XLMOD:00014 ! hydrophilic relationship: has_reactive_group XLMOD:00101 ! NHS ester relationship: is_cleavable XLMOD:00023 ! cleavable S-S bond [Term] id: XLMOD:01808 name: NHS-Biotin def: "Biotin N-hydroxysuccinimide ester." [CAS:35013-72-0, PubChem_Compound:434213, ChemSpiderID:5142865, ChemicalBookNo:CB7371998] property_value: reactionSites: "1" xsd:nonNegativeInteger property_value: spacerLength: "13.5" xsd:float is_a: XLMOD:00003 ! label transfer reagent relationship: has_handle XLMOD:00051 ! biotin relationship: has_property XLMOD:00013 ! membrane permeable relationship: has_reactive_group XLMOD:00101 ! NHS ester [Term] id: XLMOD:01809 name: NHS-LC-Biotin def: "Biotinamidohexanoyl-6-aminohexanoic acid N-hydroxysuccinimide ester." [CAS:89889-52-1, PubChem_Compound:4072290, ChemSpiderID:17346377, ChemicalBookNo:CB1412590] property_value: reactionSites: "1" xsd:nonNegativeInteger property_value: spacerLength: "30.5" xsd:float is_a: XLMOD:00003 ! label transfer reagent relationship: has_handle XLMOD:00051 ! biotin relationship: has_reactive_group XLMOD:00101 ! NHS ester [Term] id: XLMOD:01810 name: NHS-SS-Biotin def: "Biotin disulfide N-hydroxysuccinimide ester." [CAS:142439-92-7, PubChem_Compound:71312116, ChemSpiderID:3405732, ChemicalBookNo:CB4216304] property_value: reactionSites: "1" xsd:nonNegativeInteger property_value: spacerLength: "24.3" xsd:float is_a: XLMOD:00003 ! label transfer reagent relationship: has_handle XLMOD:00051 ! biotin relationship: has_reactive_group XLMOD:00101 ! NHS ester relationship: is_cleavable XLMOD:00023 ! cleavable S-S bond [Term] id: XLMOD:01811 name: NHS-Iminobiotin trifluoroacetamide def: "NHS-Iminobiotin trifluoroacetamide biotinylation reagent." [ChemicalBookNo:CB6315012] property_value: reactionSites: "1" xsd:nonNegativeInteger property_value: spacerLength: "13.5" xsd:float is_a: XLMOD:00003 ! label transfer reagent relationship: has_handle XLMOD:00071 ! iminobiotintrifluoroacetamide relationship: has_reactive_group XLMOD:00101 ! NHS ester [Term] id: XLMOD:01812 name: PFP-Biotin def: "Pentafluorophenyl-Biotin." [CAS:120550-35-8, PubChem_Compound:11122445, ChemSpiderID:9297574, ChemicalBookNo:CB6307189] synonym: "Biotin-PFP-ester" EXACT [] property_value: reactionSites: "1" xsd:nonNegativeInteger property_value: spacerLength: "9.6" xsd:float is_a: XLMOD:00003 ! label transfer reagent relationship: has_handle XLMOD:00051 ! biotin relationship: has_reactive_group XLMOD:00120 ! pentafluorophenyl [Term] id: XLMOD:01813 name: TFP-PEG3-Biotin def: "Tetrafluorophenyl-PEG3-Biotin." [PSI:XL] property_value: hydrophilicPEGchain: "3" xsd:nonNegativeInteger property_value: reactionSites: "1" xsd:nonNegativeInteger property_value: spacerLength: "32.6" xsd:float is_a: XLMOD:00003 ! label transfer reagent relationship: has_handle XLMOD:00051 ! biotin relationship: has_property XLMOD:00014 ! hydrophilic relationship: has_reactive_group XLMOD:00150 ! tetrafluorophenyl ester [Term] id: XLMOD:01814 name: Maleimide-PEG11-Biotin def: "Maleimide-PEG11-Biotin biotinylation reagent." [PSI:XL] property_value: hydrophilicPEGchain: "11" xsd:nonNegativeInteger property_value: reactionSites: "1" xsd:nonNegativeInteger property_value: spacerLength: "59.1" xsd:float is_a: XLMOD:00003 ! label transfer reagent relationship: has_handle XLMOD:00051 ! biotin relationship: has_property XLMOD:00014 ! hydrophilic relationship: has_reactive_group XLMOD:00106 ! maleimide [Term] id: XLMOD:01815 name: Biotin-BMCC def: "1-Biotinamido-4-[4´-(maleimidomethyl)cyclohexanecarboxamido]butane." [ChemicalBookNo:CB5366406] property_value: reactionSites: "1" xsd:nonNegativeInteger property_value: spacerLength: "32.6" xsd:float is_a: XLMOD:00003 ! label transfer reagent relationship: has_handle XLMOD:00051 ! biotin relationship: has_reactive_group XLMOD:00106 ! maleimide [Term] id: XLMOD:01816 name: Iodoacetyl-PEG2-Biotin def: "Iodoacetyl-PEG2-Biotin biotinylation reagent." [PSI:XL] property_value: hydrophilicPEGchain: "2" xsd:nonNegativeInteger property_value: reactionSites: "1" xsd:nonNegativeInteger property_value: spacerLength: "24.7" xsd:float is_a: XLMOD:00003 ! label transfer reagent relationship: has_handle XLMOD:00051 ! biotin relationship: has_property XLMOD:00014 ! hydrophilic relationship: has_reactive_group XLMOD:00127 ! iodoacetyl [Term] id: XLMOD:01817 name: Iodoacetyl-LC-Biotin def: "Iodoacetyl-LC-Biotin biotinylation reagent." [CAS:93285-75-7, PubChem_Compound:125043, ChemSpiderID:4248811, ChemicalBookNo:CB5664328] property_value: reactionSites: "1" xsd:nonNegativeInteger property_value: spacerLength: "27.1" xsd:float is_a: XLMOD:00003 ! label transfer reagent relationship: has_handle XLMOD:00051 ! biotin relationship: has_reactive_group XLMOD:00127 ! iodoacetyl [Term] id: XLMOD:01818 name: Pentylamine-Biotin def: "5-(Biotinamido)pentylamine." [CAS:115416-38-1, PubChem_Compound:83906, ChemSpiderID:75715, ChemicalBookNo:CB8415868] property_value: reactionSites: "1" xsd:nonNegativeInteger property_value: spacerLength: "18.9" xsd:float is_a: XLMOD:00003 ! label transfer reagent relationship: has_handle XLMOD:00051 ! biotin relationship: has_property XLMOD:00014 ! hydrophilic relationship: has_reactive_group XLMOD:00151 ! pentylamine [Term] id: XLMOD:01819 name: Amine-PEG2-Biotin def: "5-(Biotinamido)pentylamine." [PubChem_Compound:11199678] synonym: "Biotin-PEG2-amine" EXACT [] property_value: hydrophilicPEGchain: "2" xsd:nonNegativeInteger property_value: reactionSites: "1" xsd:nonNegativeInteger property_value: spacerLength: "20.4" xsd:float is_a: XLMOD:00003 ! label transfer reagent relationship: has_handle XLMOD:00051 ! biotin relationship: has_property XLMOD:00014 ! hydrophilic relationship: has_reactive_group XLMOD:00133 ! amine reactive group [Term] id: XLMOD:01820 name: Amine-PEG3-Biotin def: "Amine-PEG3-Biotin biotinylation reagent." [PubChem_Compound:53384310] synonym: "Biotin-PEG3-amine" EXACT [] property_value: hydrophilicPEGchain: "3" xsd:nonNegativeInteger property_value: reactionSites: "1" xsd:nonNegativeInteger property_value: spacerLength: "22.9" xsd:float is_a: XLMOD:00003 ! label transfer reagent relationship: has_handle XLMOD:00051 ! biotin relationship: has_property XLMOD:00014 ! hydrophilic relationship: has_reactive_group XLMOD:00133 ! amine reactive group [Term] id: XLMOD:01821 name: Biocytine-Hydrazide def: "Biocytine-Hydrazide biotinylation reagent." [CS:102743-85-1, PubChem_Compound:128197] property_value: reactionSites: "1" xsd:nonNegativeInteger property_value: spacerLength: "19.7" xsd:float is_a: XLMOD:00003 ! label transfer reagent relationship: has_handle XLMOD:00051 ! biotin relationship: has_property XLMOD:00014 ! hydrophilic relationship: has_reactive_group XLMOD:00110 ! hydrazide [Term] id: XLMOD:01822 name: Biotin-Hydrazide def: "Biocytine-Hydrazide biotinylation reagent." [CAS:66640-86-6, PubChem_Compound:83872, ChemSpiderID:75684, ChemicalBookNo:CB3175354] property_value: reactionSites: "1" xsd:nonNegativeInteger property_value: spacerLength: "15.7" xsd:float is_a: XLMOD:00003 ! label transfer reagent relationship: has_handle XLMOD:00051 ! biotin relationship: has_reactive_group XLMOD:00110 ! hydrazide [Term] id: XLMOD:01823 name: Biotin-LC-Hydrazide def: "Long chain Biocytine-Hydrazide biotinylation reagent." [CAS:109276-34-8, PubChem_Compound:3504484, ChemSpiderID:75709, ChemicalBookNo:CB4309220] synonym: "Biotin-LC-Hz" EXACT [] property_value: reactionSites: "1" xsd:nonNegativeInteger property_value: spacerLength: "24.7" xsd:float is_a: XLMOD:00003 ! label transfer reagent relationship: has_handle XLMOD:00051 ! biotin relationship: has_property XLMOD:00014 ! hydrophilic relationship: has_reactive_group XLMOD:00110 ! hydrazide [Term] id: XLMOD:01824 name: Biotin-PEG4-Hydrazide def: "Biotin-PEG4-Hydrazide biotinylation reagent." [PubChem_Compound:51340934] property_value: hydrophilicPEGchain: "4" xsd:nonNegativeInteger property_value: reactionSites: "1" xsd:nonNegativeInteger property_value: spacerLength: "31.3" xsd:float is_a: XLMOD:00003 ! label transfer reagent relationship: has_handle XLMOD:00051 ! biotin relationship: has_property XLMOD:00014 ! hydrophilic relationship: has_reactive_group XLMOD:00110 ! hydrazide [Term] id: XLMOD:01825 name: Photobiotin def: "Photoactivatable Biotin." [CAS:96087-37-5, PubChem_Compound:15949227, ChemSpiderID:2299671, ChemicalBookNo:CB7301795] property_value: reactionSites: "1" xsd:nonNegativeInteger property_value: spacerLength: "30.0" xsd:float is_a: XLMOD:00003 ! label transfer reagent relationship: has_handle XLMOD:00051 ! biotin relationship: has_reactive_group XLMOD:00107 ! nitrophenyl azide [Term] id: XLMOD:01826 name: Biotin-PEG2-Alkyne def: "Biotin-PEG2-Alkyne." [PubChem_Compound:91757772] property_value: hydrophilicPEGchain: "2" xsd:nonNegativeInteger property_value: reactionSites: "1" xsd:nonNegativeInteger is_a: XLMOD:00003 ! label transfer reagent relationship: has_handle XLMOD:00051 ! biotin relationship: has_handle XLMOD:00053 ! alkyne relationship: is_cleavable XLMOD:00034 ! photo cleavable [Term] id: XLMOD:01827 name: Biotin-PEG2-C4-Alkyne def: "Biotin-PEG2-C4-Alkyne." [CAS:109276-34-8, PubChem_Compound:91757769, ChemSpiderID:75709, ChemicalBookNo:CB73062389] property_value: hydrophilicPEGchain: "2" xsd:nonNegativeInteger property_value: reactionSites: "1" xsd:nonNegativeInteger is_a: XLMOD:00003 ! label transfer reagent relationship: has_handle XLMOD:00051 ! biotin relationship: has_handle XLMOD:00053 ! alkyne relationship: is_cleavable XLMOD:00034 ! photo cleavable [Term] id: XLMOD:01828 name: Biotin-PEG4-Alkyne def: "Biotin-PEG4-Alkyne." [CAS:1458576-00-5, PubChem_Compound:75409985, ChemicalBookNo:CB82984377] property_value: hydrophilicPEGchain: "4" xsd:nonNegativeInteger property_value: reactionSites: "1" xsd:nonNegativeInteger is_a: XLMOD:00003 ! label transfer reagent relationship: has_handle XLMOD:00051 ! biotin relationship: has_handle XLMOD:00053 ! alkyne relationship: is_cleavable XLMOD:00034 ! photo cleavable [Term] id: XLMOD:01829 name: 2-iminothiolane def: "2-iminothiolane reagent." [CAS:4781-83-3, PubChem_Compound:433941, MDL:MFCD00039013, ChemSpiderID:10732937, ChemicalBookNo:CB7373482, PMID:6170935, PMID:11350598] synonym: "Traut's reagent" EXACT [] property_value: reactionSites: "1" xsd:nonNegativeInteger is_a: XLMOD:00005 ! homofunctional cross-linker relationship: has_reactive_group XLMOD:00154 ! imino relationship: is_activatable XLMOD:00149 ! photoactivatable [Term] id: XLMOD:01830 name: 3-Azidopyridine-adenine dinucleotide def: "3-Azidopyridine-adenine dinucleotide reagent." [CAS:50695-15-3, PubChem_Compound:189126, MDL:MFCD00078882, ChemSpiderID:164324, ChemicalBookNo:CB91349828, PMID:20946768, PMID:6770736] synonym: "APA" EXACT [] property_value: reactionSites: "1" xsd:nonNegativeInteger is_a: XLMOD:00005 ! homofunctional cross-linker relationship: has_reactive_group XLMOD:00114 ! aryl azide relationship: is_activatable XLMOD:00149 ! photoactivatable [Term] id: XLMOD:01900 name: L-Photo-Leucine def: "L-2-amino-4,4-azi-pentanoic acid." [CAS:851960-91-3, ChemSpiderID:32980228, PMID:15782218, PMID:26700045] synonym: "L-Photo-Leu" EXACT [] comment: A photoreactive amino acid analog of L-Leucine for incorporation during protein synthesis that can be used for in vivo labelling, cross-linking and protein-protein interaction studies in live cells. property_value: bridgeFormula: "-C1 -H4" xsd:string property_value: monoIsotopicMass: "-16.0313" xsd:double property_value: reactionSites: "1" xsd:nonNegativeInteger is_a: XLMOD:00049 ! amino acid derivative relationship: has_reactive_group XLMOD:00103 ! diazirine relationship: is_activatable XLMOD:00149 ! photoactivatable relationship: is_analog_of XLMOD:00059 ! L-Leucine [Term] id: XLMOD:01901 name: L-Photo-Methionine def: "L-2-amino-5,5-azi-hexanoic acid." [CAS:851960-68-4, ChemSpiderID:61327213, PMID:15782218, PMID:26700045] synonym: "L-Photo-Met" EXACT [] comment: A photoreactive amino acid analog of L-Methionine for incorporation during protein synthesis that can be used for in vivo labelling, cross-linking and protein-protein interaction studies in live cells. property_value: bridgeFormula: "C1 -S1" xsd:string property_value: monoIsotopicMass: "-19.972072" xsd:double property_value: reactionSites: "1" xsd:nonNegativeInteger is_a: XLMOD:00049 ! amino acid derivative relationship: has_reactive_group XLMOD:00103 ! diazirine relationship: is_activatable XLMOD:00149 ! photoactivatable relationship: is_analog_of XLMOD:00060 ! L-Methionine [Term] id: XLMOD:01902 name: L-Photo-Isoleucine def: "L-Photo-Isoleucine." [PMID:16477643] synonym: "L-Photo-Ile" EXACT [] comment: A photoreactive amino acid analog of L-Isoleucine for incorporation during protein synthesis that can be used for in vivo labelling, cross-linking and protein-protein interaction studies in live cells. property_value: bridgeFormula: "-C1 -H4" xsd:string property_value: monoIsotopicMass: "-16.0313" xsd:double property_value: reactionSites: "1" xsd:nonNegativeInteger is_a: XLMOD:00049 ! amino acid derivative relationship: has_reactive_group XLMOD:00103 ! diazirine relationship: is_activatable XLMOD:00149 ! photoactivatable relationship: is_analog_of XLMOD:00068 ! L-Isoleucine [Term] id: XLMOD:01903 name: pBpa def: "p-benzoyl-L-phenylalanine." [PMID:16170867] comment: A photoreactive amino acid analog of L-Phenylalanine for incorporation during protein synthesis that can be used for in vivo labelling, cross-linking and protein-protein interaction studies in live cells. property_value: reactionSites: "1" xsd:nonNegativeInteger is_a: XLMOD:00049 ! amino acid derivative relationship: has_reactive_group XLMOD:00119 ! benzophenone relationship: is_activatable XLMOD:00149 ! photoactivatable relationship: is_analog_of XLMOD:00070 ! L-Phenylalanine [Term] id: XLMOD:01904 name: pBpa-d11 def: "Deuterium labelled p-benzoyl-L-phenylalanine." [PMID:18704231] comment: A photoreactive deuterium-labelled amino acid analog of L-Phenylalanine for incorporation during protein synthesis that can be used for in vivo labelling, cross-linking and protein-protein interaction studies in live cells. property_value: reactionSites: "1" xsd:nonNegativeInteger is_a: XLMOD:00049 ! amino acid derivative relationship: has_reactive_group XLMOD:00119 ! benzophenone relationship: is_activatable XLMOD:00149 ! photoactivatable relationship: is_analog_of XLMOD:00070 ! L-Phenylalanine relationship: is_labelled XLMOD:00010 ! deuterium labelled [Term] id: XLMOD:02000 name: BS3 def: "Bis(sulfosuccinimidyl)suberate." [CAS:82436-77-9, PubChem_Compound:6097991, PMID:12892908, ChemSpiderID:110394, ChemicalBookNo:CB0136444] synonym: "Suberic acid bis(3-sulfo-N-hydroxysuccinimide ester)" EXACT [] synonym: "Bis(sulfosuccinimidyl)suberate" EXACT [] synonym: "Sulfo-DSS" EXACT [] synonym: "BSSS" EXACT [] synonym: "BS3-d0" EXACT [] synonym: "BS3-H12" EXACT [] property_value: bridgeFormula: "C8 H10 O2" xsd:string property_value: monoIsotopicMass: "138.06807961" xsd:double property_value: reactionSites: "2" xsd:nonNegativeInteger property_value: spacerLength: "11.4" xsd:float is_a: XLMOD:00005 ! homofunctional cross-linker relationship: has_reactive_group XLMOD:00102 ! Sulfo NHS ester [Term] id: XLMOD:02001 name: DSS def: "Disuccinimidyl suberate." [CAS:68528-80-3, PubChem_Compound:100658, PMID:16944939, ChemSpiderID:90944, ChemicalBookNo:CB1219157] synonym: "Bis(succinimidyl) suberate" EXACT [] synonym: "Suberic acid bis(N-hydroxysuccinimide ester)" EXACT [] synonym: "Disuccinimidyl octanedioate" EXACT [] synonym: "DSS-d0" EXACT [] synonym: "DSS-H12" EXACT [] synonym: "1,1'-[(1,8-Dioxooctane-1,8-diyl)bis(oxy)]dipyrrolidine-2,5-dione" EXACT [] property_value: bridgeFormula: "C8 H10 O2" xsd:string property_value: monoIsotopicMass: "138.06807961" xsd:double property_value: reactionSites: "2" xsd:nonNegativeInteger property_value: spacerLength: "11.4" xsd:float is_a: XLMOD:00005 ! homofunctional cross-linker relationship: has_reactive_group XLMOD:00101 ! NHS ester [Term] id: XLMOD:02002 name: DSS-d4 def: "Deuterium labelled disuccinimidyl 2,2,7,7-suberate." [PubChem_Compound:91757798, PMID:11354472] property_value: bridgeFormula: "C8 D4 H6 O2" xsd:string property_value: doubletDeltaMass: "4.02508" xsd:double property_value: monoIsotopicMass: "142.093186586" xsd:double property_value: reactionSites: "2" xsd:nonNegativeInteger property_value: spacerLength: "11.4" xsd:float is_a: XLMOD:00005 ! homofunctional cross-linker relationship: has_reactive_group XLMOD:00101 ! NHS ester relationship: is_labelled XLMOD:00010 ! deuterium labelled [Term] id: XLMOD:02003 name: DSS-d12 def: "Deuterium labelled disuccinimidyl 2,2,3,3,4,4,5,5,6,6,7,7-suberate." [PSI:XL, PMID:11354472, PMID:16944939] property_value: bridgeFormula: "C8 D10 O2" xsd:string property_value: doubletDeltaMass: "12.07573" xsd:double property_value: monoIsotopicMass: "150.143400538" xsd:double property_value: reactionSites: "2" xsd:nonNegativeInteger property_value: spacerLength: "11.4" xsd:float is_a: XLMOD:00005 ! homofunctional cross-linker relationship: has_reactive_group XLMOD:00101 ! NHS ester relationship: is_labelled XLMOD:00010 ! deuterium labelled [Term] id: XLMOD:02004 name: BS3-d4 def: "Deuterium labelled (bis(sulfosuccinimidyl) 2,2,7,7-suberate)." [PubChem_Compound:91757801] property_value: doubletDeltaMass: "4.02508" xsd:double property_value: monoIsotopicMass: "142.093186586" xsd:double property_value: reactionSites: "2" xsd:nonNegativeInteger property_value: spacerLength: "11.4" xsd:float is_a: XLMOD:00005 ! homofunctional cross-linker relationship: has_reactive_group XLMOD:00102 ! Sulfo NHS ester relationship: is_labelled XLMOD:00010 ! deuterium labelled [Term] id: XLMOD:02005 name: BS2G def: "Bis(sulfosuccinimidyl) glutarate." [PubChem_Compound:91757794, ChemicalBookNo:CB91307211] synonym: "Glutaric acid bis(3-sulfo-N-hydroxysuccinimide ester)" EXACT [] synonym: "Sulfo-DSG" EXACT [] synonym: "Disulfosuccinimidylglutarate" EXACT [] synonym: "DSSG" EXACT [] synonym: "BS2G-d0" EXACT [] property_value: bridgeFormula: "C5 H4 O2" xsd:string property_value: monoIsotopicMass: "96.0211294" xsd:double property_value: reactionSites: "2" xsd:nonNegativeInteger property_value: spacerLength: "7.7" xsd:float is_a: XLMOD:00005 ! homofunctional cross-linker relationship: has_reactive_group XLMOD:00102 ! Sulfo NHS ester [Term] id: XLMOD:02006 name: DSG def: "Disuccinimidyl glutarate." [CAS:79642-50-5, PubChem_Compound:4432628, Beilstein:8575145, MDL:MFCD00153597, ChemSpiderID:3632504, ChemicalBookNo:CB0373852] synonym: "Di(N-succinimidyl) glutarate" EXACT [] synonym: "Di-succinimidyl glutarate" EXACT [] synonym: "Di N-succinimidyl glutarate" EXACT [] synonym: "Bis-NHS glutarate" EXACT [] synonym: "Disuccinimidyl glutaric dicarboxylate" EXACT [] synonym: "DSG-d0" EXACT [] property_value: bridgeFormula: "C5 H4 O2" xsd:string property_value: monoIsotopicMass: "96.0211294" xsd:double property_value: reactionSites: "2" xsd:nonNegativeInteger property_value: spacerLength: "7.7" xsd:float is_a: XLMOD:00005 ! homofunctional cross-linker relationship: has_property XLMOD:00013 ! membrane permeable relationship: has_reactive_group XLMOD:00101 ! NHS ester [Term] id: XLMOD:02007 name: DSG-d4 def: "Deuterium labelled disuccinimidyl 2,2,4,4-glutarate." [PubChem_Compound:91757797] property_value: bridgeFormula: "C5 D4 O2" xsd:string property_value: doubletDeltaMass: "4.02508" xsd:double property_value: monoIsotopicMass: "100.046236376" xsd:double property_value: reactionSites: "2" xsd:nonNegativeInteger property_value: spacerLength: "7.7" xsd:float is_a: XLMOD:00005 ! homofunctional cross-linker relationship: has_property XLMOD:00013 ! membrane permeable relationship: has_reactive_group XLMOD:00101 ! NHS ester relationship: is_labelled XLMOD:00010 ! deuterium labelled [Term] id: XLMOD:02008 name: BS2G-d4 def: "Deuterium labelled bis(sulfosuccinimidyl) 2,2,4,4-glutarate." [PubChem_Compound:91757799] synonym: "DSSG-d4" EXACT [] property_value: bridgeFormula: "C5 D4 O2" xsd:string property_value: doubletDeltaMass: "4.02508" xsd:double property_value: monoIsotopicMass: "100.046236376" xsd:double property_value: reactionSites: "2" xsd:nonNegativeInteger property_value: spacerLength: "7.7" xsd:float is_a: XLMOD:00005 ! homofunctional cross-linker relationship: has_reactive_group XLMOD:00102 ! Sulfo NHS ester relationship: is_labelled XLMOD:00010 ! deuterium labelled [Term] id: XLMOD:02009 name: Disulfide def: "Disulfide." [PSI:XL] property_value: bridgeFormula: "-H2" xsd:string property_value: monoIsotopicMass: "-2.01565007" xsd:double property_value: reactionSites: "2" xsd:nonNegativeInteger property_value: specificities: "(C)&(C)" xsd:string is_a: XLMOD:00005 ! homofunctional cross-linker is_a: XLMOD:00008 ! zero-length cross-linker [Term] id: XLMOD:02010 name: 1-ethyl-3-(3-Dimethylaminopropyl)carbodiimide hydrochloride def: "1-ethyl-3-(3-Dimethylaminopropyl)carbodiimide hydrochloride." [CAS:25952-53-8, PubChem_Compound:2723939, Beilstein:5764110, ChemSpiderID:2006116, ChemicalBookNo:CB7403031, MDL:MFCD00012503, PMID:19136724, PMID:3394930] comment: Used to conjugate carboxyl functional groups to primary amines from peptides and proteins and is ideal for covalently binding proteins or peptides to carboxyl containing beads, resins, or nanoparticles. synonym: "3-(3-Dimethylaminopropyl)-1-ethyl-carbodiimide hydrochloride" EXACT [] synonym: "EDAC-HCl" EXACT [] synonym: "EDCI" EXACT [] synonym: "EDC-HCl" EXACT [] property_value: bridgeFormula: "-H2 -O1" xsd:string property_value: monoIsotopicMass: "-18.01056027" xsd:double property_value: reactionSites: "2" xsd:nonNegativeInteger is_a: XLMOD:00008 ! zero-length cross-linker is_a: XLMOD:06010 ! LCMS derivatization reagent relationship: has_property XLMOD:00014 ! hydrophilic relationship: has_reactive_group XLMOD:00105 ! Carbodiimide relationship: is_reactive_with XLMOD:00030 ! carboxyl reactive [Term] id: XLMOD:02011 name: BDP-NHP def: "Biotin Aspartate Proline n-hydroxyphthalamide." [PSI:XL] property_value: monoIsotopicMass: "1241.469925525" xsd:double property_value: reactionSites: "2" xsd:nonNegativeInteger is_a: XLMOD:00005 ! homofunctional cross-linker relationship: is_cleavable XLMOD:00018 ! cleavable by MS2 labile bond relationship: has_handle XLMOD:00051 ! biotin relationship: has_reactive_group XLMOD:00104 ! N-hydroxyphthalimide [Term] id: XLMOD:02012 name: ANB-NOS def: "N-5-Azido-2-nitrobenzoyloxysuccinimide." [CAS:60117-35-3, PubChem_Compound:3080866, Beilstein:1555224, MDL:MFCD00054962, ChemSpiderID:2338587, ChemicalBookNo:CB7381289] synonym: "N-Succinimidyl 5-azido-2-nitrobenzoate" EXACT [] synonym: "5-Azido-2-nitrobenzoic acid N-hydroxysuccinimide ester" EXACT [] synonym: "N-(5-Azido-2-nitrobenzoyloxy)succinimide" EXACT [] property_value: reactionSites: "2" xsd:nonNegativeInteger property_value: spacerLength: "7.7" xsd:float is_a: XLMOD:00006 ! heterofunctional cross-linker relationship: has_property XLMOD:00013 ! membrane permeable relationship: has_reactive_group XLMOD:00101 ! NHS ester relationship: has_reactive_group XLMOD:00107 ! nitrophenyl azide [Term] id: XLMOD:02013 name: BMPS def: "N-(beta-Maleimidopropyloxy)succinimide ester." [CAS:55750-62-4, PubChem_Compound:4620597, Beilstein:1492578, MDL:MFCD00043141, ChemSpiderID:3811455, ChemicalBookNo:CB5780592] synonym: "N-Succinimidyl 3-maleimidopropionate" EXACT [] synonym: "3-Maleimidopropionic acid N-hydroxysuccinimide ester" EXACT [] property_value: bridgeFormula: "C7 H5 O3 N1" xsd:string property_value: monoIsotopicMass: "151.026943065" xsd:double property_value: reactionSites: "2" xsd:nonNegativeInteger property_value: spacerLength: "6.9" xsd:float is_a: XLMOD:00006 ! heterofunctional cross-linker relationship: has_property XLMOD:00013 ! membrane permeable relationship: has_reactive_group XLMOD:00101 ! NHS ester relationship: has_reactive_group XLMOD:00106 ! maleimide [Term] id: XLMOD:02014 name: EMCS def: "6-Maleimidohexanoic acid N-hydroxysuccinimide ester." [CAS:55750-63-5, PubChem_Compound:5091655, ChemSpiderID:4267588, ChemicalBookNo:CB8212960] synonym: "N-(epsilon-Malaimidocaproyloxy) succinimide ester" EXACT [] synonym: "6-maleimidohexanoic acid N-hydroxysuccinimide ester" EXACT [] property_value: reactionSites: "2" xsd:nonNegativeInteger property_value: spacerLength: "9.4" xsd:float is_a: XLMOD:00006 ! heterofunctional cross-linker relationship: has_property XLMOD:00013 ! membrane permeable relationship: has_reactive_group XLMOD:00101 ! NHS ester relationship: has_reactive_group XLMOD:00106 ! maleimide [Term] id: XLMOD:02015 name: GMBS def: "N-[gamma-Maleimidobutyryloxy] succinimide." [CAS:80307-12-6, PubChem_Compound:133440, MDL:MFCD00036817, ChemSpiderID:117712, ChemicalBookNo:CB5267080] synonym: "4-Maleimdobutyric acid N-succinimidyl ester" EXACT [] property_value: reactionSites: "2" xsd:nonNegativeInteger property_value: spacerLength: "7.3" xsd:float is_a: XLMOD:00006 ! heterofunctional cross-linker relationship: has_property XLMOD:00013 ! membrane permeable relationship: has_reactive_group XLMOD:00101 ! NHS ester relationship: has_reactive_group XLMOD:00106 ! maleimide [Term] id: XLMOD:02016 name: SPDP def: "N-Succinimidyl 3-[2-pyridyldithio]-propionate." [CAS:68181-17-9, PubChem_Compound:100682, ChemSpiderID:90967, ChemicalBookNo:CB2446059] synonym: "3-(2-Pyridyldithio)propionic acid N-hydroxysuccinimide ester" EXACT [] property_value: reactionSites: "2" xsd:nonNegativeInteger property_value: spacerLength: "6.8" xsd:float is_a: XLMOD:00006 ! heterofunctional cross-linker relationship: has_property XLMOD:00013 ! membrane permeable relationship: has_reactive_group XLMOD:00101 ! NHS ester relationship: has_reactive_group XLMOD:00109 ! pyridinyldisulfide [Term] id: XLMOD:02017 name: LC-SPDP def: "Succinimidyl 6-(3-[2-pyridyldithio]-propionamido)hexanoate." [CAS:158913-22-5, PubChem_Compound:157808, ChemSpiderID:138854, ChemicalBookNo:CB8355139] synonym: "Long chain-SPDP" EXACT [] synonym: "Succinimidyl 6-(3-(2-Pyridyldithio)propionamido)hexanoate" EXACT [] property_value: reactionSites: "2" xsd:nonNegativeInteger property_value: spacerLength: "15.7" xsd:float is_a: XLMOD:00006 ! heterofunctional cross-linker relationship: has_property XLMOD:00013 ! membrane permeable relationship: has_reactive_group XLMOD:00101 ! NHS ester relationship: has_reactive_group XLMOD:00109 ! pyridinyldisulfide [Term] id: XLMOD:02018 name: Sulfo-LC-SPDP def: "Sulfosuccinimidyl 6-(3'-[2-pyridyldithio]-propionamido)hexanoate." [CAS:169751-10-4, PubChem_Compound:4588467, ChemSpiderID:3780707, ChemicalBookNo:CB8177681] synonym: "Sulfo-Long chain-SPDP" EXACT [] property_value: reactionSites: "2" xsd:nonNegativeInteger property_value: spacerLength: "15.7" xsd:float is_a: XLMOD:00006 ! heterofunctional cross-linker relationship: has_reactive_group XLMOD:00102 ! Sulfo NHS ester relationship: has_reactive_group XLMOD:00109 ! pyridinyldisulfide [Term] id: XLMOD:02019 name: MBS def: "m-Maleimidobenzoyl-N-hydroxysuccinimide ester." [CAS:58626-38-3, PubChem_Compound:93861, ChemSpiderID:84714, ChemicalBookNo:CB0342553] synonym: "3-Maleimidobenzoic acid N-hydroxysuccinimide ester" EXACT [] synonym: "meta-Maleimidobenzoyl-N-hydroxysuccinimide ester" EXACT [] property_value: reactionSites: "2" xsd:nonNegativeInteger property_value: spacerLength: "7.3" xsd:float is_a: XLMOD:00006 ! heterofunctional cross-linker relationship: has_property XLMOD:00013 ! membrane permeable relationship: has_reactive_group XLMOD:00101 ! NHS ester relationship: has_reactive_group XLMOD:00106 ! maleimide [Term] id: XLMOD:02020 name: Sulfo-MBS def: "m-Maleimidobenzoyl-N-hydroxysulfosuccinimide ester." [CAS:92921-25-0, ChemSpiderID:111159, ChemicalBookNo:CB9338287] synonym: "3-Maleimidobenzoic acid N-hydroxysulfosuccinimide ester" EXACT [] synonym: "meta-Maleimidobenzoyl-N-hydroxysulfosuccinimide ester" EXACT [] property_value: reactionSites: "2" xsd:nonNegativeInteger property_value: spacerLength: "7.3" xsd:float is_a: XLMOD:00006 ! heterofunctional cross-linker relationship: has_reactive_group XLMOD:00102 ! Sulfo NHS ester relationship: has_reactive_group XLMOD:00106 ! maleimide [Term] id: XLMOD:02021 name: PDPH def: "3-[2-Pyridyldithio]propionyl hydrazide." [CAS:115616-51-8, PubChem_Compound:130785, ChemSpiderID:115670, ChemicalBookNo:CB3412468] synonym: "SPDP Hydrazide" EXACT [] synonym: "S-(2-thiopyridyl)-3-mercaptopropionic acid hydrazide" EXACT [] synonym: "3-(2-pyridyldithio)propionyl hydrazide" EXACT [] synonym: "TPMPH" EXACT [] property_value: reactionSites: "2" xsd:nonNegativeInteger property_value: spacerLength: "9.2" xsd:float is_a: XLMOD:00006 ! heterofunctional cross-linker relationship: has_property XLMOD:00013 ! membrane permeable relationship: has_property XLMOD:00014 ! hydrophilic relationship: has_reactive_group XLMOD:00109 ! pyridinyldisulfide relationship: has_reactive_group XLMOD:00110 ! hydrazide [Term] id: XLMOD:02022 name: SBA def: "N-Succinimidyl bromoacetate." [CAS:42014-51-7, PubChem_Compound:3565210, ChemSpiderID:2802588, ChemicalBookNo:CB4678610] synonym: "Bromoacetic acid N-hydroxysuccinimide ester" EXACT [] synonym: "Succinimidyl bromoacetate" EXACT [] synonym: "NHS-Bromoacetate" EXACT [] synonym: "SIB" EXACT [] property_value: reactionSites: "2" xsd:nonNegativeInteger property_value: spacerLength: "1.5" xsd:float is_a: XLMOD:00006 ! heterofunctional cross-linker relationship: has_property XLMOD:00013 ! membrane permeable relationship: has_reactive_group XLMOD:00101 ! NHS ester relationship: has_reactive_group XLMOD:00128 ! bromoacetyl [Term] id: XLMOD:02023 name: SIA def: "N-Succinimidyl iodoacetate." [CAS:39028-27-8, PubChem_Compound:3299230, ChemSpiderID:2547635, ChemicalBookNo:CB9364435] synonym: "Iodoacetic acid N-hydroxysuccinimide ester" EXACT [] synonym: "Succinimidyl iodoacetate" EXACT [] synonym: "NHS-Iodoacetate" EXACT [] property_value: reactionSites: "2" xsd:nonNegativeInteger property_value: spacerLength: "1.5" xsd:float is_a: XLMOD:00006 ! heterofunctional cross-linker relationship: has_property XLMOD:00013 ! membrane permeable relationship: has_reactive_group XLMOD:00101 ! NHS ester relationship: has_reactive_group XLMOD:00127 ! iodoacetyl [Term] id: XLMOD:02024 name: SMCC def: "Succinimidyl-4-[N-maleimidomethyl]cyclohexane-1-carboxylate." [CAS:64987-85-5, PubChem_Compound:125175, ChemSpiderID:21173480, ChemicalBookNo:CB6748487] synonym: "4-(N-Maleimidomethyl)cyclohexanecarboxylic acid N-hydroxysuccinimide ester" EXACT [] synonym: "N-Succinimidyl 4-(maleimidomethyl)cyclohexanecarboxylate" EXACT [] synonym: "Succinimidyl trans-4-(N-maleimidylmethyl)cyclohexane-1-carboxylate" EXACT [] property_value: reactionSites: "2" xsd:nonNegativeInteger property_value: spacerLength: "11.6" xsd:float is_a: XLMOD:00006 ! heterofunctional cross-linker relationship: has_property XLMOD:00013 ! membrane permeable relationship: has_reactive_group XLMOD:00101 ! NHS ester relationship: has_reactive_group XLMOD:00106 ! maleimide [Term] id: XLMOD:02025 name: Sulfo-SMCC def: "Sulfosuccinimidyl-4-[N-maleimidomethyl]cyclohexane-1-carboxylate." [CAS:92921-24-9, PubChem_Compound:16219679, ChemSpiderID:3809728, ChemicalBookNo:CB6219112] synonym: "4-(N-Maleimidomethyl)cyclohexane-1-carboxylic acid 3-sulfo-N-hydroxysuccinimide ester" EXACT [] synonym: "Sulfosuccinimidyl-4-N-maleimidomethyl-cyclohexane-1-carboxylate" EXACT [] synonym: "SSMCC" EXACT [] synonym: "S-SMCC" EXACT [] property_value: reactionSites: "2" xsd:nonNegativeInteger property_value: spacerLength: "11.6" xsd:float is_a: XLMOD:00006 ! heterofunctional cross-linker relationship: has_reactive_group XLMOD:00102 ! Sulfo NHS ester relationship: has_reactive_group XLMOD:00106 ! maleimide [Term] id: XLMOD:02026 name: SMPB def: "N-Succinimidyl 4-[4-maleimidophenyl]butyrate." [CAS:79886-55-8, PubChem_Compound:100681, ChemSpiderID:90966, ChemicalBookNo:CB3322684] synonym: "4-(4-Maleimidophenyl)butyric acid N-hydroxysuccinimide ester" EXACT [] property_value: reactionSites: "2" xsd:nonNegativeInteger property_value: spacerLength: "11.6" xsd:float is_a: XLMOD:00006 ! heterofunctional cross-linker relationship: has_property XLMOD:00013 ! membrane permeable relationship: has_reactive_group XLMOD:00101 ! NHS ester relationship: has_reactive_group XLMOD:00106 ! maleimide [Term] id: XLMOD:02027 name: SMPH def: "Succinimidyl-6-[beta-maleimidopropionamido]hexanoate." [CAS:367927-39-7, PubChem_Compound:4170355, ChemSpiderID:3381798, ChemicalBookNo:CB2100210] synonym: "Succinimidyl 6-[(3-maleimido)propionamido]-hexanoate" EXACT [] property_value: reactionSites: "2" xsd:nonNegativeInteger property_value: spacerLength: "14.3" xsd:float is_a: XLMOD:00006 ! heterofunctional cross-linker relationship: has_property XLMOD:00013 ! membrane permeable relationship: has_reactive_group XLMOD:00101 ! NHS ester relationship: has_reactive_group XLMOD:00106 ! maleimide relationship: is_cleavable XLMOD:00041 ! thiol cleavable [Term] id: XLMOD:02028 name: Sulfo-SANPAH def: "N-Sulfosuccinimidyl-6-[4'-azido-2'-nitrophenylamino] hexanoate." [CAS:102568-43-4, PubChem_Compound:3035866, ChemSpiderID:2300000, ChemicalBookNo:CB4457477] synonym: "1-[6-[(4-azido-2-nitro-phenyl)amino]hexanoyloxy]-2,5-Dioxo-pyrrolidine-3-sulfonic acid" EXACT [] synonym: "Sulfosuccinimidyl 6-((4-azido-2-nitrophenyl)amino)hexanoate" EXACT [] synonym: "Sulfosuccinimidyl 6-((4'-azido-2'-nitrophenyl)amino)hexanoate" EXACT [] property_value: reactionSites: "2" xsd:nonNegativeInteger property_value: spacerLength: "18.2" xsd:float is_a: XLMOD:00006 ! heterofunctional cross-linker relationship: has_reactive_group XLMOD:00102 ! Sulfo NHS ester relationship: has_reactive_group XLMOD:00107 ! nitrophenyl azide [Term] id: XLMOD:02029 name: DSP def: "Dithiobis[succinimidyl propionate." [CAS:57757-57-0, PubChem_Compound:93313, Beilstein:1518074, MDL:MFCD00042045, ChemSpiderID:84243, ChemicalBookNo:CB7251791] synonym: "3,3'-Dithiodipropionic acid di(N-hydroxysuccinimide ester)" EXACT [] synonym: "Di(N-succinimidyl) 3,3'-Dithiodipropionate" EXACT [] synonym: "Dithiobis-succinimidyl propionate" EXACT [] synonym: "Dithio-bis-succinimidyl propionate" EXACT [] synonym: "Dithiobis(succinimidyl propionate)" EXACT [] synonym: "Lomant's Reagent" EXACT [] synonym: "DTSP" EXACT [] synonym: "DSP-d0" EXACT [] property_value: bridgeFormula: "C6 H6 O2 S2" xsd:string property_value: monoIsotopicMass: "173.98092087" xsd:double property_value: reactionSites: "2" xsd:nonNegativeInteger property_value: spacerLength: "12.0" xsd:float is_a: XLMOD:00005 ! homofunctional cross-linker relationship: has_property XLMOD:00013 ! membrane permeable relationship: has_reactive_group XLMOD:00101 ! NHS ester relationship: is_cleavable XLMOD:00023 ! cleavable S-S bond [Term] id: XLMOD:02030 name: DSP-d8 def: "Deuterium labelled Dithiobis[1,1,2,2,2,2,3,3-succinimidyl propionate." [PubChem_Compound:91757796] property_value: bridgeFormula: "C6 D6 O2 S2" xsd:string property_value: doubletDeltaMass: "8.05016" xsd:double property_value: monoIsotopicMass: "182.0314167" xsd:double property_value: reactionSites: "2" xsd:nonNegativeInteger property_value: spacerLength: "12.0" xsd:float is_a: XLMOD:00005 ! homofunctional cross-linker relationship: has_property XLMOD:00013 ! membrane permeable relationship: has_reactive_group XLMOD:00101 ! NHS ester relationship: is_cleavable XLMOD:00023 ! cleavable S-S bond relationship: is_labelled XLMOD:00010 ! deuterium labelled [Term] id: XLMOD:02031 name: DSSeb def: "Sebacic acid bis[N-hydroxysuccinimide ester]." [CAS:23024-29-5, PubChem_Compound:3430836, ChemSpiderID:2674029, ChemicalBookNo:CB4402699] synonym: "Disuccinimidyl sebacate" EXACT [] synonym: "Sebacic acid bis(N-hydroxysuccinimide ester)" EXACT [] synonym: "Di(N-succinimidyl) sebacate" EXACT [] property_value: reactionSites: "2" xsd:nonNegativeInteger property_value: spacerLength: "14.1" xsd:float is_a: XLMOD:00005 ! homofunctional cross-linker relationship: has_property XLMOD:00013 ! membrane permeable relationship: has_reactive_group XLMOD:00101 ! NHS ester [Term] id: XLMOD:02032 name: DST def: "Disuccinimidyl tartrate." [CAS:62069-75-4, PubChem_Compound:124912, MDL:MFCD03788224, ChemSpiderID:296442, ChemicalBookNo:CB9243998] synonym: "Disuccinimidyl L-Tartrate" EXACT [] property_value: bridgeFormula: "C4 H2 O4" xsd:string property_value: monoIsotopicMass: "113.99531" xsd:double property_value: reactionSites: "2" xsd:nonNegativeInteger property_value: spacerLength: "6.4" xsd:float is_a: XLMOD:00005 ! homofunctional cross-linker relationship: has_property XLMOD:00013 ! membrane permeable relationship: has_reactive_group XLMOD:00101 ! NHS ester relationship: is_cleavable XLMOD:00024 ! periodate cleavable [Term] id: XLMOD:02033 name: DTSSP def: "3,3'-Dithiobis[sulfosuccinimidylpropionate]." [CAS:81069-02-5, PubChem_Compound:123933, MDL:MFCD01861949, ChemSpiderID:110462, ChemicalBookNo:CB31073260, PMID:10975572, PMID:18510349] synonym: "3,3'-Dithiobispropionic Acid Bis-sulfosuccinimidyl Ester" EXACT [] synonym: "Sulfo-DSP" EXACT [] synonym: "Sulfo-DTSP" EXACT [] synonym: "DTBSSP" EXACT [] synonym: "DTSSP-d0" EXACT [] property_value: bridgeFormula: "C6 H6 O2 S2" xsd:string property_value: monoIsotopicMass: "173.98093" xsd:double property_value: reactionSites: "2" xsd:nonNegativeInteger property_value: spacerLength: "12.0" xsd:float is_a: XLMOD:00005 ! homofunctional cross-linker relationship: has_property XLMOD:00014 ! hydrophilic relationship: has_reactive_group XLMOD:00102 ! Sulfo NHS ester relationship: is_cleavable XLMOD:00023 ! cleavable S-S bond [Term] id: XLMOD:02034 name: EGS def: "Ethylene glycolbis(succinimidylsuccinate)." [CAS:70539-42-3, PubChem_Compound:123663, ChemSpiderID:110243, ChemicalBookNo:CB5722624] synonym: "Ethylene glycol bis (succinimidylsuccinate)" EXACT [] synonym: "Ethylene Glycol-Bis (Succinic Acid N-Hydroxysuccinimide Ester)" EXACT [] synonym: "EGS-d0" EXACT [] property_value: bridgeFormula: "C10 H10 O6" xsd:string property_value: monoIsotopicMass: "226.047738" xsd:double property_value: reactionSites: "2" xsd:nonNegativeInteger property_value: spacerLength: "16.1" xsd:float is_a: XLMOD:00005 ! homofunctional cross-linker relationship: has_property XLMOD:00013 ! membrane permeable relationship: has_reactive_group XLMOD:00101 ! NHS ester relationship: is_cleavable XLMOD:00025 ! hydroxylamine cleavable relationship: is_cleavable XLMOD:00039 ! ammonium cleavable [Term] id: XLMOD:02035 name: Sulfo-EGS def: "Ethylene glycolbis(sulfosuccinimidylsuccinate)." [CAS:167410-92-6, PubChem_Compound:91757793, ChemSpiderID:32034171, ChemicalBookNo:CB4497176] synonym: "Ethylene glycol bis(sulfosuccinimidylsuccinate)" EXACT [] synonym: "Ethylene Glycol-Bis (Succinic Acid N-Hydroxysulfosuccinimide Ester)" EXACT [] synonym: "Bis(sulfo-N-succinimidyl) ethylene glycol disuccinate" EXACT [] synonym: "Ethylene glycol disuccinate bis(sulfo-N-succinimidyl) ester" EXACT [] synonym: "EGSS" EXACT [] synonym: "EGSS-d0" EXACT [] property_value: bridgeFormula: "C10 H10 O6" xsd:string property_value: monoIsotopicMass: "226.04774" xsd:double property_value: reactionSites: "2" xsd:nonNegativeInteger property_value: spacerLength: "16.1" xsd:float is_a: XLMOD:00005 ! homofunctional cross-linker relationship: has_reactive_group XLMOD:00102 ! Sulfo NHS ester relationship: is_cleavable XLMOD:00025 ! hydroxylamine cleavable relationship: is_cleavable XLMOD:00039 ! ammonium cleavable [Term] id: XLMOD:02036 name: CDI def: "N,N'-Carbonyldiimidazole." [CAS:530-62-1, PubChem_Compound:68263, Beilstein:6826, MDL:MFCD00005286, ChemSpiderID:61561, ChemicalBookNo:CB0215374] comment: Used to convert alcohols and amines into carbamates, esters, and ureas. synonym: "1,1'-Carbonyldiimidazole" EXACT [] property_value: reactionSites: "2" xsd:nonNegativeInteger is_a: XLMOD:00008 ! zero-length cross-linker [Term] id: XLMOD:02037 name: DCC def: "N,N'-Dicyclohexylcarbodiimide." [CAS:538-75-0, PubChem_Compound:10868, Beilstein:610662, MDL:MFCD00011659, ChemSpiderID:10408, ChemicalBookNo:CB9706578] comment: Used for coupling amines and carboxylates without the insertion of spacer atoms. synonym: "DCCD" EXACT [] synonym: "DCCI" EXACT [] synonym: "Bis(cyclohexyl)carbodiimide" EXACT [] synonym: "Cyclohexaamine, N,N'-methanetetraylbis-(9CI)" EXACT [] synonym: "Dicyclohexylcarbodiimide" EXACT [] synonym: "N,N'-Dicyclohexylcarbodiimide" EXACT [] synonym: "1,3-Dicyclohexylcarbodiimide" EXACT [] synonym: "N,N'-Methanetetrayl biscyclohexanamine" EXACT [] property_value: reactionSites: "2" xsd:nonNegativeInteger is_a: XLMOD:00008 ! zero-length cross-linker relationship: has_property XLMOD:00013 ! membrane permeable relationship: has_reactive_group XLMOD:00105 ! Carbodiimide [Term] id: XLMOD:02038 name: NHS def: "N-hydroxysuccinimide." [CAS:6066-82-6, PubChem_Compound:80170, Beilstein:113913, MDL:MFCD00005516, ChemSpiderID:72416, ChemicalBookNo:CB0391283] comment: Used in conjunction with EDC-HCl (EDAC-HCl) to convert carboxyl groups to NHS esters which react with primary amines. synonym: "1-Hydroxy-2,5-pyrrolidinedione" EXACT [] is_a: XLMOD:00008 ! zero-length cross-linker relationship: has_property XLMOD:00013 ! membrane permeable [Term] id: XLMOD:02039 name: Sulfo-NHS def: "N-hydroxysulfosuccinimide." [CAS:106627-54-7, PubChem_Compound:3520574, MDL:MFCD00043100, ChemSpiderID:2759874, ChemicalBookNo:CB9164497] comment: Used in conjunction with EDC-HCl (EDAC-HCl) to convert carboxyl groups to Sulfo-NHS esters which react with primary amines. synonym: "Sulfo NHS" EXACT [] synonym: "S-NHS" EXACT [] synonym: "Hydroxy-2,5-Dioxopyrrolidine-3-sulfonicacid" EXACT [] is_a: XLMOD:00008 ! zero-length cross-linker relationship: has_property XLMOD:00014 ! hydrophilic [Term] id: XLMOD:02040 name: BiPS def: "Bimane bisthiopropionic acid N-succinimidyl ester." [PMID:18838738] property_value: bridgeFormula: "C16 H16 N2 O4 S2" xsd:string property_value: monoIsotopicMass: "364.05515" xsd:double property_value: reactionSites: "2" xsd:nonNegativeInteger is_a: XLMOD:00005 ! homofunctional cross-linker relationship: has_property XLMOD:00015 ! fluorescent relationship: has_reactive_group XLMOD:00101 ! NHS ester relationship: is_cleavable XLMOD:00034 ! photo cleavable [Term] id: XLMOD:02041 name: formaldehyde def: "Formaldehyde reagent." [CAS:50-00-0, ChemSpiderID:692, ChemicalBookNo:CB4853677, PMID:18438963, PMID:25979347] property_value: reactionSites: "1" xsd:nonNegativeInteger property_value: spacerLength: "2.5" xsd:float is_a: XLMOD:00005 ! homofunctional cross-linker is_a: XLMOD:06010 ! LCMS derivatization reagent relationship: has_reactive_group XLMOD:00116 ! aldehyde relationship: is_reactive_with XLMOD:00037 ! non-selective [Term] id: XLMOD:02042 name: glutardialdehyde def: "Glutardialdehyde." [CAS:111-30-8, ChemSpiderID:3365, ChemicalBookNo:CB3762723] property_value: reactionSites: "2" xsd:nonNegativeInteger is_a: XLMOD:00005 ! homofunctional cross-linker relationship: has_reactive_group XLMOD:00116 ! aldehyde relationship: is_reactive_with XLMOD:00037 ! non-selective [Term] id: XLMOD:02043 name: DSA def: "Disuccinimidyladipic acid." [CAS:26544-38-7, PubChem_Compound:6438029, ChemSpiderID:4515188, ChemicalBookNo:CB5470426] synonym: "disuccinimidyl adipate" EXACT [] property_value: bridgeFormula: "C6 H6 O2" xsd:string property_value: monoIsotopicMass: "110.03624" xsd:double property_value: reactionSites: "2" xsd:nonNegativeInteger is_a: XLMOD:00005 ! homofunctional cross-linker relationship: has_property XLMOD:00013 ! membrane permeable relationship: has_reactive_group XLMOD:00101 ! NHS ester [Term] id: XLMOD:02044 name: DNBDPS def: "An isotopically-coded cleavable crosslinker affinity-purifyable with antibodies." [PMID:20109223] property_value: bridgeFormula: "C12 H9 N2 O6 S2" xsd:string property_value: monoIsotopicMass: "339.98238" xsd:double property_value: reactionSites: "2" xsd:nonNegativeInteger is_a: XLMOD:00005 ! homofunctional cross-linker relationship: has_handle XLMOD:00054 ! DNB relationship: is_cleavable XLMOD:00023 ! cleavable S-S bond [Term] id: XLMOD:02045 name: TEABS def: "TEABS cross-linking reagent." [PMID:20109223] property_value: bridgeFormula: "C28 H39 N5 O11 S1" xsd:string property_value: monoIsotopicMass: "653.23668" xsd:double property_value: reactionSites: "2" xsd:nonNegativeInteger is_a: XLMOD:00005 ! homofunctional cross-linker relationship: has_handle XLMOD:00051 ! biotin relationship: is_cleavable XLMOD:00038 ! DTT cleavable relationship: is_cleavable XLMOD:00039 ! ammonium cleavable [Term] id: XLMOD:02046 name: CLIP def: "Click-enabled linker for interacting proteins." [PMID:19496583] property_value: reactionSites: "2" xsd:nonNegativeInteger property_value: spacerLength: "9.5" xsd:float is_a: XLMOD:00005 ! homofunctional cross-linker relationship: has_handle XLMOD:00053 ! alkyne relationship: has_neutral_loss_reporter XLMOD:00052 ! NO2 neutral loss reporter relationship: has_reactive_group XLMOD:00101 ! NHS ester [Term] id: XLMOD:02047 name: BDRG def: "Biotin-aspartate-Rink-glycine cross-linker composed of a biotin affinity handle (B), a pentafluorophenyl (PFP) ester modified aspartate reside (D), a Rink group (R), and a PFP ester modified glycine reside (G)." [PMID:22067100] property_value: reactionSites: "2" xsd:nonNegativeInteger is_a: XLMOD:00005 ! homofunctional cross-linker relationship: is_cleavable XLMOD:00018 ! cleavable by MS2 labile bond relationship: has_handle XLMOD:00051 ! biotin relationship: has_reactive_group XLMOD:00120 ! pentafluorophenyl [Term] id: XLMOD:02048 name: DTSSP-d8 def: "Deuterium labelled 3,3'-Dithiobis[sulfosuccinimidylpropionate]." [PMID:10975572, PMID:18510349] property_value: bridgeFormula: "C6 D6 O2 S2" xsd:string property_value: doubletDeltaMass: "8.05016" xsd:double property_value: monoIsotopicMass: "182.03109" xsd:double property_value: reactionSites: "2" xsd:nonNegativeInteger property_value: spacerLength: "12.0" xsd:float is_a: XLMOD:00005 ! homofunctional cross-linker relationship: has_property XLMOD:00014 ! hydrophilic relationship: has_reactive_group XLMOD:00102 ! Sulfo NHS ester relationship: is_cleavable XLMOD:00023 ! cleavable S-S bond relationship: is_cleavable XLMOD:00035 ! CID cleavable relationship: is_labelled XLMOD:00010 ! deuterium labelled [Term] id: XLMOD:02049 name: EGS-d12 def: "Deuterium labelled ethylene glycolbis(succinimidylsuccinate)." [PMID:15901824] property_value: bridgeFormula: "C10 D10 O6" xsd:string property_value: doubletDeltaMass: "12.07573" xsd:double property_value: monoIsotopicMass: "238.12347" xsd:double property_value: reactionSites: "2" xsd:nonNegativeInteger property_value: spacerLength: "16.1" xsd:float is_a: XLMOD:00005 ! homofunctional cross-linker relationship: has_property XLMOD:00013 ! membrane permeable relationship: has_reactive_group XLMOD:00101 ! NHS ester relationship: is_cleavable XLMOD:00025 ! hydroxylamine cleavable relationship: is_cleavable XLMOD:00039 ! ammonium cleavable relationship: is_labelled XLMOD:00010 ! deuterium labelled [Term] id: XLMOD:02050 name: Sulfo-EGS-d12 def: "Deuterium labelled ethylene glycolbis(sulfosuccinimidylsuccinate)." [PMID:15901824] property_value: bridgeFormula: "C10 D10 O6" xsd:string property_value: doubletDeltaMass: "12.07573" xsd:double property_value: monoIsotopicMass: "238.12347" xsd:double property_value: reactionSites: "2" xsd:nonNegativeInteger property_value: spacerLength: "16.1" xsd:float is_a: XLMOD:00005 ! homofunctional cross-linker relationship: has_property XLMOD:00014 ! hydrophilic relationship: has_reactive_group XLMOD:00102 ! Sulfo NHS ester relationship: is_cleavable XLMOD:00025 ! hydroxylamine cleavable relationship: is_cleavable XLMOD:00039 ! ammonium cleavable relationship: is_labelled XLMOD:00010 ! deuterium labelled [Term] id: XLMOD:02051 name: PCAS def: "Pyridine-3-Carboxylic Acid Succinimide." [PMID:20050626, PMID:23085224] synonym: "PCAS-H4" EXACT [] synonym: "PCAS-d0" EXACT [] synonym: "PCASS" EXACT [] property_value: bridgeFormula: "C6 H3 N1 O1" xsd:string property_value: monoIsotopicMass: "105.02146" xsd:double property_value: reactionSites: "2" xsd:nonNegativeInteger is_a: XLMOD:00005 ! homofunctional cross-linker [Term] id: XLMOD:02052 name: PCAS-d4 def: "Pyridine-3-Carboxylic Acid Succinimide." [PMID:20050626, PMID:23085224] synonym: "PCASS-d4" EXACT [] property_value: bridgeFormula: "C6 D3 N1 O1" xsd:string property_value: doubletDeltaMass: "4.02508" xsd:double property_value: monoIsotopicMass: "109.04812" xsd:double property_value: reactionSites: "2" xsd:nonNegativeInteger is_a: XLMOD:00005 ! homofunctional cross-linker relationship: is_labelled XLMOD:00010 ! deuterium labelled [Term] id: XLMOD:02053 name: DSA-13C6 def: "13C labelled disuccinimidyladipic acid." [PSI:XL] property_value: bridgeFormula: "13C6 H6 O2" xsd:string property_value: doubletDeltaMass: "6.02016" xsd:double property_value: monoIsotopicMass: "116.0564" xsd:double property_value: reactionSites: "2" xsd:nonNegativeInteger is_a: XLMOD:00005 ! homofunctional cross-linker relationship: has_property XLMOD:00013 ! membrane permeable relationship: has_reactive_group XLMOD:00101 ! NHS ester relationship: is_labelled XLMOD:00036 ! 13C labelled [Term] id: XLMOD:02054 name: CBDPS-d8 def: "Deuterium labelled cyanurbiotindipropionylsuccinimide." [PMID:20622150] property_value: bridgeFormula: "C19 D8 H15 N7 O4 S3" xsd:string property_value: doubletDeltaMass: "8.05016" xsd:double property_value: monoIsotopicMass: "517.14698" xsd:double property_value: reactionSites: "2" xsd:nonNegativeInteger property_value: spacerLength: "14.0" xsd:float is_a: XLMOD:00005 ! homofunctional cross-linker relationship: has_handle XLMOD:00051 ! biotin relationship: has_property XLMOD:00014 ! hydrophilic relationship: has_reactive_group XLMOD:00101 ! NHS ester relationship: is_cleavable XLMOD:00035 ! CID cleavable relationship: is_labelled XLMOD:00010 ! deuterium labelled [Term] id: XLMOD:02055 name: CBDPSS def: "Cyanurbiotindimercaptopropionylsulfosuccinimide." [PMID:20622150] synonym: "Sulfo-CBDPSS" EXACT [] property_value: bridgeFormula: "C19 H23 N7 O4 S3" xsd:string property_value: monoIsotopicMass: "509.09682" xsd:double property_value: reactionSites: "2" xsd:nonNegativeInteger property_value: spacerLength: "14.0" xsd:float is_a: XLMOD:00005 ! homofunctional cross-linker relationship: has_handle XLMOD:00051 ! biotin relationship: has_property XLMOD:00014 ! hydrophilic relationship: has_reactive_group XLMOD:00102 ! Sulfo NHS ester relationship: is_cleavable XLMOD:00035 ! CID cleavable [Term] id: XLMOD:02056 name: CBDPSS-d8 def: "Deuterium labelled cyanurbiotindimercaptopropionylsulfosuccinimide." [PMID:20622150] property_value: bridgeFormula: "C19 D8 H15 N7 O4 S3" xsd:string property_value: doubletDeltaMass: "8.05016" xsd:double property_value: monoIsotopicMass: "517.14698" xsd:double property_value: reactionSites: "2" xsd:nonNegativeInteger property_value: spacerLength: "14.0" xsd:float is_a: XLMOD:00005 ! homofunctional cross-linker relationship: has_handle XLMOD:00051 ! biotin relationship: has_property XLMOD:00014 ! hydrophilic relationship: has_reactive_group XLMOD:00102 ! Sulfo NHS ester relationship: is_cleavable XLMOD:00035 ! CID cleavable relationship: is_labelled XLMOD:00010 ! deuterium labelled [Term] id: XLMOD:02057 name: SDH def: "Suberic acid 1,8-dihydrazide." [CAS:20247-84-1, PMID:24938783, ChemSpiderID:520361, ChemicalBookNo:CB8664268] property_value: bridgeFormula: "C8 H14 N4" xsd:string property_value: monoIsotopicMass: "166.12184649" xsd:double property_value: reactionSites: "2" xsd:nonNegativeInteger is_a: XLMOD:00005 ! homofunctional cross-linker relationship: has_reactive_group XLMOD:00110 ! hydrazide [Term] id: XLMOD:02058 name: SDH-d12 def: "Deuterium labelled suberic acid 1,8-dihydrazide." [PMID:24938783] property_value: bridgeFormula: "C8 D12 H2 N4" xsd:string property_value: doubletDeltaMass: "12.07573" xsd:double property_value: monoIsotopicMass: "178.1971667418" xsd:double property_value: reactionSites: "2" xsd:nonNegativeInteger is_a: XLMOD:00005 ! homofunctional cross-linker relationship: has_reactive_group XLMOD:00110 ! hydrazide relationship: is_labelled XLMOD:00010 ! deuterium labelled [Term] id: XLMOD:02059 name: ADH def: "Adipic acid 1,6-dihydrazide." [CAS:1071-93-8, ChemSpiderID:59505, ChemicalBookNo:CB4129556, PMID:24938783] property_value: bridgeFormula: "C6 H10 N4" xsd:string property_value: monoIsotopicMass: "138.09054635" xsd:double property_value: reactionSites: "2" xsd:nonNegativeInteger is_a: XLMOD:00005 ! homofunctional cross-linker relationship: has_reactive_group XLMOD:00110 ! hydrazide [Term] id: XLMOD:02060 name: ADH-d8 def: "Deuterium labelled adipic acid 1,6-dihydrazide." [PMID:24938783] property_value: bridgeFormula: "C6 D8 H2 N4" xsd:string property_value: doubletDeltaMass: "8.05016" xsd:double property_value: monoIsotopicMass: "146.140760302" xsd:double property_value: reactionSites: "2" xsd:nonNegativeInteger is_a: XLMOD:00005 ! homofunctional cross-linker relationship: has_reactive_group XLMOD:00110 ! hydrazide relationship: is_labelled XLMOD:00010 ! deuterium labelled [Term] id: XLMOD:02061 name: GDH def: "Glutaric acid 1,5-dihydrazide." [CAS:1508-67-4, ChemSpiderID:3179469, ChemicalBookNo:CB4453510, PMID:24938783] property_value: bridgeFormula: "C5 H8 N4" xsd:string property_value: monoIsotopicMass: "124.07489628" xsd:double property_value: reactionSites: "2" xsd:nonNegativeInteger is_a: XLMOD:00005 ! homofunctional cross-linker relationship: has_reactive_group XLMOD:00110 ! hydrazide [Term] id: XLMOD:02062 name: GDH-d6 def: "Deuterium labelled glutaric acid 1,5-dihydrazide." [PMID:24938783] property_value: bridgeFormula: "C5 D6 H2 N4" xsd:string property_value: doubletDeltaMass: "6.04368" xsd:double property_value: monoIsotopicMass: "130.112556744" xsd:double property_value: reactionSites: "2" xsd:nonNegativeInteger is_a: XLMOD:00005 ! homofunctional cross-linker relationship: has_reactive_group XLMOD:00110 ! hydrazide relationship: is_labelled XLMOD:00010 ! deuterium labelled [Term] id: XLMOD:02063 name: BS3-d12 def: "Deuterium labelled (bis(sulfosuccinimidyl) 2,2,3,3,4,4,5,5,6,6,7,7-suberate)." [PSI:XL] property_value: doubletDeltaMass: "12.07573" xsd:double property_value: monoIsotopicMass: "150.14381" xsd:double property_value: reactionSites: "2" xsd:nonNegativeInteger property_value: spacerLength: "11.4" xsd:float is_a: XLMOD:00005 ! homofunctional cross-linker relationship: has_property XLMOD:00014 ! hydrophilic relationship: has_reactive_group XLMOD:00102 ! Sulfo NHS ester relationship: is_labelled XLMOD:00010 ! deuterium labelled [Term] id: XLMOD:02064 name: DSG-d6 def: "Deuterium labelled disuccinimidyl 2,2,3,3,4,4-glutarate." [PSI:XL] property_value: bridgeFormula: "C5 D6 O2" xsd:string property_value: doubletDeltaMass: "6.02016" xsd:double property_value: monoIsotopicMass: "102.05821" xsd:double property_value: reactionSites: "2" xsd:nonNegativeInteger property_value: spacerLength: "7.7" xsd:float is_a: XLMOD:00005 ! homofunctional cross-linker relationship: has_property XLMOD:00013 ! membrane permeable relationship: has_reactive_group XLMOD:00101 ! NHS ester relationship: is_labelled XLMOD:00010 ! deuterium labelled [Term] id: XLMOD:02065 name: BS2G-d6 def: "Deuterium labelled bis(sulfosuccinimidyl) 2,2,3,3,4,4-glutarate." [PSI:XL] synonym: "DSSG-d6" EXACT [] property_value: bridgeFormula: "C5 D4 O2" xsd:string property_value: doubletDeltaMass: "4.02508" xsd:double property_value: monoIsotopicMass: "100.046236376" xsd:double property_value: reactionSites: "2" xsd:nonNegativeInteger property_value: spacerLength: "7.7" xsd:float is_a: XLMOD:00005 ! homofunctional cross-linker relationship: has_property XLMOD:00014 ! hydrophilic relationship: has_reactive_group XLMOD:00102 ! Sulfo NHS ester relationship: is_labelled XLMOD:00010 ! deuterium labelled [Term] id: XLMOD:02066 name: SATA def: "Succinimidyl acetylthioacetate." [CAS:76931-93-6, PubChem_Compound:127532, ChemSpiderID:113145, ChemicalBookNo:CB6378192] synonym: "N-succinimidyl S-acetylthioacetate" EXACT [] property_value: reactionSites: "2" xsd:nonNegativeInteger property_value: spacerLength: "2.8" xsd:float is_a: XLMOD:00006 ! heterofunctional cross-linker relationship: has_reactive_group XLMOD:00106 ! maleimide relationship: has_reactive_group XLMOD:00144 ! S-acetyl relationship: is_cleavable XLMOD:00025 ! hydroxylamine cleavable [Term] id: XLMOD:02067 name: SATP def: "N-succinimidyl-S-acetylthiopropionate." [CAS:84271-78-3, PubChem_Compound:4110341, ChemSpiderID:3324023, ChemicalBookNo:CB7151156] property_value: reactionSites: "2" xsd:nonNegativeInteger property_value: spacerLength: "4.1" xsd:float is_a: XLMOD:00006 ! heterofunctional cross-linker relationship: has_reactive_group XLMOD:00106 ! maleimide relationship: has_reactive_group XLMOD:00144 ! S-acetyl relationship: is_cleavable XLMOD:00025 ! hydroxylamine cleavable [Term] id: XLMOD:02068 name: LC-SMCC def: "Succinimidyl 4-(N-maleimidomethyl)cyclohexane-1-carboxy-(6-amidocaproate)." [CAS:125559-00-4, PubChem_Compound:3564731, ChemSpiderID:2802130, ChemicalBookNo:CB2681973] synonym: "Long chain-SMCC" EXACT [] property_value: reactionSites: "2" xsd:nonNegativeInteger property_value: spacerLength: "16.2" xsd:float is_a: XLMOD:00006 ! heterofunctional cross-linker relationship: has_property XLMOD:00013 ! membrane permeable relationship: has_reactive_group XLMOD:00101 ! NHS ester relationship: has_reactive_group XLMOD:00106 ! maleimide [Term] id: XLMOD:02069 name: PEAS def: "N-((2-pyridyldithio)ethyl)-4-azidosalicylamide." [MDL:MFCD00467787, PMID:11320237] synonym: "AES" EXACT [] property_value: reactionSites: "2" xsd:nonNegativeInteger is_a: XLMOD:00006 ! heterofunctional cross-linker relationship: has_reactive_group XLMOD:00109 ! pyridinyldisulfide relationship: has_reactive_group XLMOD:00114 ! aryl azide [Term] id: XLMOD:02070 name: BisEA def: "Bis-(2-(Methanethiosulfonato)ethyl)amine." [PSI:XL] property_value: reactionSites: "2" xsd:nonNegativeInteger is_a: XLMOD:00005 ! homofunctional cross-linker relationship: has_reactive_group XLMOD:00121 ! methanethiosulfonate [Term] id: XLMOD:02071 name: 3,6,9,12-Tetraoxatetradecane-1,14-diyl dimethanethiosulfonate def: "3,6,9,12-Tetraoxatetradecane-1,14-diyl dimethanethiosulfonate cross-linker." [CAS:212262-08-3, PubChem_Compound:46783053, ChemSpiderID:3765062, ChemicalBookNo:CB4773508] synonym: "3,6,9,12-Tetraoxatetradecane-1,14-diyl-bis-methanethiosulfonate" EXACT [] property_value: reactionSites: "2" xsd:nonNegativeInteger is_a: XLMOD:00005 ! homofunctional cross-linker relationship: has_reactive_group XLMOD:00121 ! methanethiosulfonate [Term] id: XLMOD:02072 name: 3,6,9-Trioxaundecane-1,11-diyl dimethanethiosulfonate def: "3,6,9-Trioxaundecane-1,11-diyl dimethanethiosulfonate cross-linker." [CAS:212262-02-7, PubChem_Compound:5047788, ChemSpiderID:57565984, ChemicalBookNo:CB41175710] synonym: "3,6,9-Trioxaundecane-1,11-diyl-bismethanethiosulfonate" EXACT [] property_value: reactionSites: "2" xsd:nonNegativeInteger is_a: XLMOD:00005 ! homofunctional cross-linker relationship: has_reactive_group XLMOD:00121 ! methanethiosulfonate [Term] id: XLMOD:02073 name: MTS-1-MTS def: "1,1-Methanediyl Bismethanethiosulfonate." [CAS:22418-52-6, PubChem_Compound:4251850, ChemSpiderID:3459853, ChemicalBookNo:CB01175439] property_value: reactionSites: "2" xsd:nonNegativeInteger is_a: XLMOD:00005 ! homofunctional cross-linker relationship: has_reactive_group XLMOD:00121 ! methanethiosulfonate [Term] id: XLMOD:02074 name: MTS-2-MTS def: "1,2-Ethanediyl Bismethanethiosulfonate." [CAS:55-95-8, PubChem_Compound:564320, MDL:MFCD01320400, ChemSpiderID:490602, ChemicalBookNo:CB31175450] synonym: "1,2-Ethanedithiol Dimethanesulfonate" EXACT [] synonym: "Preparation 289" EXACT [] property_value: reactionSites: "2" xsd:nonNegativeInteger is_a: XLMOD:00005 ! homofunctional cross-linker relationship: has_reactive_group XLMOD:00121 ! methanethiosulfonate [Term] id: XLMOD:02075 name: MTS-6-NHS def: "N-Succinimidyloxycarbonylpentyl methanethiosulfonate." [CAS:76078-81-4, PubChem_Compound:3614736, ChemSpiderID:2849984, ChemicalBookNo:CB6747738] synonym: "6-[(Methanethisulfonyl)thio]hexanoic acid, N-succinimidyl ester" EXACT [] property_value: reactionSites: "2" xsd:nonNegativeInteger is_a: XLMOD:00006 ! heterofunctional cross-linker relationship: has_reactive_group XLMOD:00101 ! NHS ester relationship: has_reactive_group XLMOD:00121 ! methanethiosulfonate [Term] id: XLMOD:02076 name: MTS-8-O2-MTS def: "3,6-dioxaoctane-1,8-diyl dimethanethiosulfonate." [CAS:212262-04-9, PubChem_Compound:3332000, ChemSpiderID:2579076, ChemicalBookNo:CB01175712] synonym: "1,2-bis(2-methylsulfonylsulfanylethoxy)ethane" EXACT [] synonym: "3,6-Dioxaoctane-1,8-diyl Bismethanethiosulfonate" EXACT [] property_value: reactionSites: "2" xsd:nonNegativeInteger is_a: XLMOD:00005 ! homofunctional cross-linker relationship: has_reactive_group XLMOD:00121 ! methanethiosulfonate [Term] id: XLMOD:02077 name: MTS-11-MTS def: "Undecane-1,11-diyl-bismethanethiosulfonate." [PSI:XL] property_value: reactionSites: "2" xsd:nonNegativeInteger is_a: XLMOD:00005 ! homofunctional cross-linker relationship: has_reactive_group XLMOD:00121 ! methanethiosulfonate [Term] id: XLMOD:02078 name: BSOCOES def: "Bis(2-[Succinimidooxycarbonyloxy]ethyl) sulfone." [CAS:57683-72-4, PubChem_Compound:93771, ChemSpiderID:84638, ChemicalBookNo:CB6488705] property_value: bridgeFormula: "C6 H6 O6 S1" xsd:string property_value: monoIsotopicMass: "205.988512" xsd:double property_value: reactionSites: "2" xsd:nonNegativeInteger property_value: spacerLength: "13.0" xsd:float is_a: XLMOD:00005 ! homofunctional cross-linker relationship: has_property XLMOD:00013 ! membrane permeable relationship: has_reactive_group XLMOD:00101 ! NHS ester relationship: is_cleavable XLMOD:00061 ! base cleavable [Term] id: XLMOD:02079 name: DPDPB def: "1,4-Di-(3'-[2'pyridyldithio]-propionamido) butane." [CAS:141647-62-3, PubChem_Compound:4187644, MDL:MFCD00153604, ChemSpiderID:3398412, ChemicalBookNo:CB1775965] property_value: reactionSites: "2" xsd:nonNegativeInteger property_value: spacerLength: "19.9" xsd:float is_a: XLMOD:00005 ! homofunctional cross-linker relationship: has_property XLMOD:00013 ! membrane permeable relationship: has_reactive_group XLMOD:00109 ! pyridinyldisulfide [Term] id: XLMOD:02080 name: Sulfo-DST def: "Sulfodisuccinimidyl tartrate." [CAS:118674-04-7, PubChem_Compound:3081171, ChemSpiderID:2338831, ChemicalBookNo:CB2297174] property_value: reactionSites: "2" xsd:nonNegativeInteger property_value: spacerLength: "6.4" xsd:float is_a: XLMOD:00005 ! homofunctional cross-linker relationship: has_reactive_group XLMOD:00102 ! Sulfo NHS ester relationship: is_cleavable XLMOD:00024 ! periodate cleavable [Term] id: XLMOD:02081 name: Sulfo-GMBS def: "N-gamma-Maleimidobutyryloxysulfosuccinimide ester." [CAS:185332-92-7, PubChem_Compound:23683309, ChemSpiderID:2678121, ChemicalBookNo:CB4412935] property_value: reactionSites: "2" xsd:nonNegativeInteger property_value: spacerLength: "6.8" xsd:float is_a: XLMOD:00006 ! heterofunctional cross-linker relationship: has_reactive_group XLMOD:00102 ! Sulfo NHS ester relationship: has_reactive_group XLMOD:00106 ! maleimide [Term] id: XLMOD:02082 name: EMCH def: "N-(epsilon-Maleimidocaproic acid) hydrazide." [CAS:81186-33-6, PubChem_Compound:4170354, ChemSpiderID:3381797, ChemicalBookNo:CB1298684] property_value: reactionSites: "2" xsd:nonNegativeInteger property_value: spacerLength: "11.8" xsd:float is_a: XLMOD:00006 ! heterofunctional cross-linker relationship: has_reactive_group XLMOD:00106 ! maleimide relationship: has_reactive_group XLMOD:00110 ! hydrazide [Term] id: XLMOD:02083 name: EMCH-TFA def: "N-(epsilon-Maleimidocaproic acid)hydrazide, TriFluoroacetic Acid." [CAS:151038-94-7, PubChem_Compound:23509306, ChemSpiderID:11567960, ChemicalBookNo:CB8349886] synonym: "2,5-Dihydro-2,5-dioxo-1H-pyrrole-1-hexanoic Acid Hydrazide 2,2,2-Trifluoroacetate" EXACT [] property_value: reactionSites: "2" xsd:nonNegativeInteger property_value: spacerLength: "11.8" xsd:float is_a: XLMOD:00006 ! heterofunctional cross-linker relationship: has_reactive_group XLMOD:00101 ! NHS ester relationship: has_reactive_group XLMOD:00110 ! hydrazide [Term] id: XLMOD:02084 name: Sulfo-EMCS def: "N-(epsilon-Maleimidocaproyloxy) sulfo succinimide ester." [CAS:215312-86-0, PubChem_Compound:4229287, ChemSpiderID:3438266, ChemicalBookNo:CB6793735] synonym: "6-Maleimidocaproic Acid Sulfo-N-Succinimidyl Ester" EXACT [] property_value: reactionSites: "2" xsd:nonNegativeInteger property_value: spacerLength: "9.4" xsd:float is_a: XLMOD:00006 ! heterofunctional cross-linker relationship: has_property XLMOD:00014 ! hydrophilic relationship: has_reactive_group XLMOD:00102 ! Sulfo NHS ester relationship: has_reactive_group XLMOD:00106 ! maleimide [Term] id: XLMOD:02085 name: PMPI def: "N-(Maleimidophenyl) isocyanate." [CAS:123457-83-0, PubChem_Compound:129975, ChemSpiderID:115040, ChemicalBookNo:CB7497652] synonym: "N-(4-Isocyanatophenyl)maleimide" EXACT [] property_value: reactionSites: "2" xsd:nonNegativeInteger property_value: spacerLength: "8.7" xsd:float is_a: XLMOD:00006 ! heterofunctional cross-linker relationship: has_reactive_group XLMOD:00106 ! maleimide relationship: has_reactive_group XLMOD:00124 ! isocyanate [Term] id: XLMOD:02086 name: SIAB def: "N-Succinimidyl(4-iodoacetyl)aminobenzoate." [CAS:72252-96-1, PubChem_Compound:126367, ChemSpiderID:112308, ChemicalBookNo:CB4386384] synonym: "4-[(2-Iodoacetyl)amino]benzoic Acid 2,5-dioxo-1-pyrrolidinyl Ester" EXACT [] property_value: reactionSites: "2" xsd:nonNegativeInteger property_value: spacerLength: "10.6" xsd:float is_a: XLMOD:00006 ! heterofunctional cross-linker relationship: has_property XLMOD:00013 ! membrane permeable relationship: has_reactive_group XLMOD:00101 ! NHS ester relationship: has_reactive_group XLMOD:00127 ! iodoacetyl [Term] id: XLMOD:02087 name: Sulfo-SIAB def: "N-Sulfosuccinimidyl(4-iodoacetyl)aminobenzoate." [CAS:144650-93-1, PubChem_Compound:4131104, ChemSpiderID:3343983, ChemicalBookNo:CB3328358] property_value: reactionSites: "2" xsd:nonNegativeInteger property_value: spacerLength: "10.6" xsd:float is_a: XLMOD:00006 ! heterofunctional cross-linker relationship: has_reactive_group XLMOD:00102 ! Sulfo NHS ester relationship: has_reactive_group XLMOD:00127 ! iodoacetyl [Term] id: XLMOD:02088 name: Sulfo-SMPB def: "Sulfo succinimidyl 4-(maleimidophenyl) butyrate." [CAS:92921-26-1, PubChem_Compound:118855953, ChemSpiderID:32076952, ChemicalBookNo:CB5324783] property_value: reactionSites: "2" xsd:nonNegativeInteger property_value: spacerLength: "11.6" xsd:float is_a: XLMOD:00006 ! heterofunctional cross-linker relationship: has_property XLMOD:00014 ! hydrophilic relationship: has_reactive_group XLMOD:00102 ! Sulfo NHS ester relationship: has_reactive_group XLMOD:00106 ! maleimide [Term] id: XLMOD:02089 name: MAL-PEG4-SCM def: "Succinimidyl-[(N-maleimidopropionamido)-tetraethyleneglycol] ester." [CAS:756525-99-2, PubChem_Compound:51340950, ChemSpiderID:32055651, ChemicalBookNo:CB22546917] synonym: "NHS-PEG4-Maleimide" EXACT [] synonym: "Mal-PEG4-NHS-ester" EXACT [] synonym: "Maleimide-PEG4-NHS" EXACT [] synonym: "Malamido-PEG4-NHS" EXACT [] synonym: "SM[PEG]4" EXACT [] synonym: "O-[N-(3-Maleimidopropionyl)aminoethyl]-O'-[3-(N-succinimidyloxy)-3-oxopropyl]triethylene glycol" EXACT [] synonym: "Succinimidyl-[(N-maleimidopropionamido)-dodecaethyleneglycol] ester" EXACT [] property_value: hydrophilicPEGchain: "4" xsd:nonNegativeInteger property_value: reactionSites: "2" xsd:nonNegativeInteger property_value: spacerLength: "24.6" xsd:float is_a: XLMOD:00006 ! heterofunctional cross-linker relationship: has_reactive_group XLMOD:00101 ! NHS ester relationship: has_reactive_group XLMOD:00106 ! maleimide [Term] id: XLMOD:02090 name: ABH def: "Azidobenzoyl hydrazide." [CAS:63296-32-2, PubChem_Compound:9812912, ChemSpiderID:7988662, ChemicalBookNo:CB0135326] property_value: reactionSites: "2" xsd:nonNegativeInteger property_value: spacerLength: "11.9" xsd:float is_a: XLMOD:00006 ! heterofunctional cross-linker relationship: has_property XLMOD:00013 ! membrane permeable relationship: has_reactive_group XLMOD:00110 ! hydrazide relationship: has_reactive_group XLMOD:00126 ! phenyl azide [Term] id: XLMOD:02091 name: APG def: "p-Azidophenyl glyoxal monohydrate." [CAS:1196151-49-1, MDL:MFCD00150595, ChemSpiderID:11564450, ChemicalBookNo:CB3774159] property_value: reactionSites: "2" xsd:nonNegativeInteger property_value: spacerLength: "9.3" xsd:float is_a: XLMOD:00006 ! heterofunctional cross-linker relationship: has_property XLMOD:00013 ! membrane permeable relationship: has_reactive_group XLMOD:00126 ! phenyl azide relationship: has_reactive_group XLMOD:00142 ! phenylglyoxal [Term] id: XLMOD:02092 name: APDP def: "4-Azido-2-hydroxy-N-(4-{[3-(2-pyridinyldisulfanyl)propanoyl]amino}butyl)benzamide." [ChemSpiderID:8496824, ChemicalBookNo:CB7382675] property_value: reactionSites: "2" xsd:nonNegativeInteger property_value: spacerLength: "21.0" xsd:float is_a: XLMOD:00006 ! heterofunctional cross-linker relationship: has_property XLMOD:00013 ! membrane permeable relationship: has_property XLMOD:00020 ! iodinatable relationship: has_reactive_group XLMOD:00109 ! pyridinyldisulfide relationship: has_reactive_group XLMOD:00125 ! hydroxyphenyl azide relationship: is_cleavable XLMOD:00023 ! cleavable S-S bond [Term] id: XLMOD:02093 name: BASED def: "Bis(beta-[4-azidosalicylamido]-ethyl) disulfide." [CAS:199804-21-2, PubChem_Compound:3658531, ChemSpiderID:2891936, ChemicalBookNo:CB3363805] synonym: "Bis(2-(4-azidosalicylamido)ethyl) disulfide" EXACT [] synonym: "N, N'-(Dithiobis-ethylene)bis(4-azido-2-hydroxy-benzamide)" EXACT [] synonym: "N,N'-Bis(4-azidosalicoyl)cystamine" EXACT [] property_value: reactionSites: "2" xsd:nonNegativeInteger property_value: spacerLength: "21.3" xsd:float is_a: XLMOD:00005 ! homofunctional cross-linker relationship: has_property XLMOD:00013 ! membrane permeable relationship: has_property XLMOD:00020 ! iodinatable relationship: has_reactive_group XLMOD:00125 ! hydroxyphenyl azide relationship: is_cleavable XLMOD:00023 ! cleavable S-S bond [Term] id: XLMOD:02094 name: NHS-ASA def: "N-Hydroxysuccinimidyl-4-azidosalicyclic acid." [CAS:96602-46-9, PubChem_Compound:3035647, ChemSpiderID:2299834, PMID:2358439, ChemicalBookNo:CB21334997] synonym: "1-[(4-Azido-2-hydroxybenzoyl)oxy]-2,5-pyrrolidinedione" EXACT [] property_value: reactionSites: "2" xsd:nonNegativeInteger property_value: spacerLength: "8.0" xsd:float is_a: XLMOD:00006 ! heterofunctional cross-linker relationship: has_property XLMOD:00013 ! membrane permeable relationship: has_property XLMOD:00020 ! iodinatable relationship: has_reactive_group XLMOD:00101 ! NHS ester relationship: has_reactive_group XLMOD:00125 ! hydroxyphenyl azide [Term] id: XLMOD:02095 name: Sulfo-HSAB def: "N-Hydroxysulfosuccinimidyl-4-azidobenzoate." [CAS:199804-22-3, PubChem_Compound:10290999, ChemSpiderID:8466468, ChemicalBookNo:CB5222018] property_value: reactionSites: "2" xsd:nonNegativeInteger property_value: spacerLength: "9.0" xsd:float is_a: XLMOD:00006 ! heterofunctional cross-linker relationship: has_property XLMOD:00014 ! hydrophilic relationship: has_reactive_group XLMOD:00102 ! Sulfo NHS ester relationship: has_reactive_group XLMOD:00126 ! phenyl azide [Term] id: XLMOD:02096 name: Sulfo-SAED def: "Sulfosuccinimidyl 2-(7-amino-4-methylcoumarin-3-acetamido)ethyl-1,3-dithiopropionate." [PubChem_Compound:132249, ChemSpiderID:116802] synonym: "2-SAED" EXACT [] property_value: reactionSites: "2" xsd:nonNegativeInteger property_value: spacerLength: "23.6" xsd:float is_a: XLMOD:00006 ! heterofunctional cross-linker relationship: has_property XLMOD:00015 ! fluorescent relationship: has_reactive_group XLMOD:00102 ! Sulfo NHS ester relationship: has_reactive_group XLMOD:00135 ! azido-methylcoumarin relationship: is_cleavable XLMOD:00023 ! cleavable S-S bond [Term] id: XLMOD:02097 name: Sulfo-SAND def: "Sulfosuccinimidyl 2-(m-azido-o-nitrobenzamido)-ethyl-1,3'-dithiopropionate." [MDL:MFCD02091654] property_value: reactionSites: "2" xsd:nonNegativeInteger property_value: spacerLength: "18.5" xsd:float is_a: XLMOD:00006 ! heterofunctional cross-linker relationship: has_property XLMOD:00014 ! hydrophilic relationship: has_reactive_group XLMOD:00102 ! Sulfo NHS ester relationship: has_reactive_group XLMOD:00107 ! nitrophenyl azide relationship: is_cleavable XLMOD:00023 ! cleavable S-S bond [Term] id: XLMOD:02098 name: SANPAH def: "N-Succinimidyl 6-(4-azido-2-nitroanilino)hexanoate." [CAS:64309-05-3, PubChem_Compound:3035550, ChemSpiderID:2299761, ChemicalBookNo:CB2262231] synonym: "6-(4-Azido-2-nitrophenylamino)hexanoic acid N-hydroxysuccinimide ester" EXACT [] property_value: reactionSites: "2" xsd:nonNegativeInteger property_value: spacerLength: "18.2" xsd:float is_a: XLMOD:00006 ! heterofunctional cross-linker relationship: has_property XLMOD:00013 ! membrane permeable relationship: has_reactive_group XLMOD:00101 ! NHS ester relationship: has_reactive_group XLMOD:00107 ! nitrophenyl azide [Term] id: XLMOD:02099 name: Sulfo-SADP def: "Sulfosuccinimidyl (4-azidophenyl)-1,3'-dithiopropionate." [CAS:102568-45-6, PubChem_Compound:128116, ChemSpiderID:113597, ChemicalBookNo:CB9210802] property_value: reactionSites: "2" xsd:nonNegativeInteger property_value: spacerLength: "13.9" xsd:float is_a: XLMOD:00006 ! heterofunctional cross-linker relationship: has_reactive_group XLMOD:00102 ! Sulfo NHS ester relationship: has_reactive_group XLMOD:00126 ! phenyl azide relationship: is_cleavable XLMOD:00023 ! cleavable S-S bond [Term] id: XLMOD:02100 name: SASD def: "Succinimidyl-2-(azidosalicylamido)ethyl-1,3-dithiopropionate." [CAS:144650-95-3, PubChem_Compound:4071585, ChemSpiderID:3286667, ChemicalBookNo:CB9276943] property_value: reactionSites: "2" xsd:nonNegativeInteger property_value: spacerLength: "18.9" xsd:float is_a: XLMOD:00006 ! heterofunctional cross-linker relationship: has_property XLMOD:00014 ! hydrophilic relationship: has_property XLMOD:00020 ! iodinatable relationship: has_reactive_group XLMOD:00101 ! NHS ester relationship: has_reactive_group XLMOD:00125 ! hydroxyphenyl azide relationship: is_cleavable XLMOD:00023 ! cleavable S-S bond [Term] id: XLMOD:02101 name: Sulfo-SASD def: "Sulfosuccinimidyl-2-(azidosalicylamido)ethyl-1,3-dithiopropionate." [CAS:144650-95-3, PubChem_Compound:6098351, ChemSpiderID:3286667, ChemicalBookNo:CB9276943] property_value: reactionSites: "2" xsd:nonNegativeInteger property_value: spacerLength: "18.9" xsd:float is_a: XLMOD:00006 ! heterofunctional cross-linker relationship: has_property XLMOD:00014 ! hydrophilic relationship: has_property XLMOD:00020 ! iodinatable relationship: has_reactive_group XLMOD:00102 ! Sulfo NHS ester relationship: has_reactive_group XLMOD:00125 ! hydroxyphenyl azide relationship: is_cleavable XLMOD:00023 ! cleavable S-S bond [Term] id: XLMOD:02102 name: DTTDPS def: "DTTDPS cross-linker." [PMID:20109223] property_value: reactionSites: "2" xsd:nonNegativeInteger is_a: XLMOD:00005 ! homofunctional cross-linker relationship: has_reactive_group XLMOD:00101 ! NHS ester relationship: is_cleavable XLMOD:00024 ! periodate cleavable [Term] id: XLMOD:02103 name: 1,4-diacetalbenzene def: "1,4-diacetalbenzene reagent." [CAS:1074-12-0, PubChem_Compound:14090, ChemSpiderID:13470, ChemicalBookNo:CB3357077, PMID:18936057, PMID:16875836] synonym: "Phenyldiglyoxal" EXACT [] synonym: "PDG" EXACT [] property_value: monoIsotopicMass: "190.027" xsd:double property_value: reactionSites: "2" xsd:nonNegativeInteger property_value: spacerLength: "7.5" xsd:float is_a: XLMOD:00005 ! homofunctional cross-linker relationship: has_reactive_group XLMOD:00115 ! glyoxal [Term] id: XLMOD:02104 name: DiBMADPS def: "Bis(2,5-dioxopyrrolidin-1-yl)3,3'-(3,5-dibromo-4-methylphenylazanediyl)diproponate." [https://getd.libs.uga.edu/pdfs/hoffman_lisabeth_l_201008_phd.pdf] property_value: reactionSites: "2" xsd:nonNegativeInteger is_a: XLMOD:00005 ! homofunctional cross-linker relationship: has_reactive_group XLMOD:00101 ! NHS ester relationship: is_cleavable XLMOD:00035 ! CID cleavable relationship: is_labelled XLMOD:00044 ! mass defect labelled [Term] id: XLMOD:02105 name: DiBBSIAS def: "Bis(2,5-dioxopyrrolidin-1-yl) 2,2'-(2,4-dibromophenylsulfonylazanediyl)diacetate." [https://getd.libs.uga.edu/pdfs/hoffman_lisabeth_l_201008_phd.pdf] property_value: reactionSites: "2" xsd:nonNegativeInteger is_a: XLMOD:00005 ! homofunctional cross-linker relationship: has_reactive_group XLMOD:00101 ! NHS ester relationship: is_cleavable XLMOD:00035 ! CID cleavable relationship: is_labelled XLMOD:00044 ! mass defect labelled [Term] id: XLMOD:02106 name: BID def: "N-benzyliminodiacetoyloxysuccinimid." [PMID:11212007] property_value: CID_Fragment: "91" xsd:double property_value: CID_Fragment: "275.1" xsd:double property_value: reactionSites: "2" xsd:nonNegativeInteger is_a: XLMOD:00005 ! homofunctional cross-linker relationship: has_reactive_group XLMOD:00101 ! NHS ester relationship: is_cleavable XLMOD:00035 ! CID cleavable [Term] id: XLMOD:02107 name: BCCL1 def: "Bis-(N-hydroxysuccinimidyl) 3-amino-N-biotinoyl-1,5-pentanedioate." [PMID:19412923] property_value: monoIsotopicMass: "337.10962" xsd:double property_value: reactionSites: "2" xsd:nonNegativeInteger is_a: XLMOD:00005 ! homofunctional cross-linker relationship: has_handle XLMOD:00051 ! biotin relationship: has_reactive_group XLMOD:00101 ! NHS ester [Term] id: XLMOD:02108 name: BCCL2 def: "Bis-(N-hydroxysuccinimidyl) 5-amino-N-biotinoyl-1,9-nonanedioate." [PMID:19412923] property_value: monoIsotopicMass: "393.17222" xsd:double property_value: reactionSites: "2" xsd:nonNegativeInteger is_a: XLMOD:00005 ! homofunctional cross-linker relationship: has_handle XLMOD:00051 ! biotin relationship: has_reactive_group XLMOD:00101 ! NHS ester [Term] id: XLMOD:02109 name: SBC def: "N-succinimidyl p-benzoyldihydrocinnamate." [PMID:19653199, ChemSpiderID:4488161] property_value: monoIsotopicMass: "236.09" xsd:double property_value: reactionSites: "2" xsd:nonNegativeInteger is_a: XLMOD:00006 ! heterofunctional cross-linker relationship: has_reactive_group XLMOD:00101 ! NHS ester relationship: has_reactive_group XLMOD:00119 ! benzophenone [Term] id: XLMOD:02110 name: SBDC def: "Deuterium labelled N-succinimidyl p-benzoyldihydrocinnamate." [PMID:19653199] synonym: "SBC-d2" EXACT [] property_value: doubletDeltaMass: "2.01254" xsd:double property_value: monoIsotopicMass: "238.10" xsd:double property_value: reactionSites: "2" xsd:nonNegativeInteger is_a: XLMOD:00006 ! heterofunctional cross-linker relationship: has_reactive_group XLMOD:00101 ! NHS ester relationship: has_reactive_group XLMOD:00119 ! benzophenone relationship: is_labelled XLMOD:00010 ! deuterium labelled [Term] id: XLMOD:02111 name: S-Methyl 5,5'-thiodipentanoylhydroxysuccinimidemethylsulfate def: "S-Methyl 5,5'-thiodipentanoylhydroxysuccinimidemethylsulfate cross-linker." [PMID:19551991] property_value: reactionSites: "2" xsd:nonNegativeInteger is_a: XLMOD:00005 ! homofunctional cross-linker relationship: has_reactive_group XLMOD:00101 ! NHS ester relationship: is_cleavable XLMOD:00035 ! CID cleavable [Term] id: XLMOD:02112 name: SuDP def: "Bisuccinimidyl-succinamyl-aspartyl-proline." [PMID:26091612, PMID:20560670, PMID:17134140] synonym: "Disuccinimidyl-succinamyl-aspartyl-proline" EXACT [] property_value: CID_Fragment: "97.0528" xsd:double property_value: CID_Fragment: "197.0324" xsd:double property_value: reactionSites: "2" xsd:nonNegativeInteger property_value: spacerLength: "11.2" xsd:float is_a: XLMOD:00005 ! homofunctional cross-linker relationship: has_reactive_group XLMOD:00101 ! NHS ester relationship: is_cleavable XLMOD:00035 ! CID cleavable [Term] id: XLMOD:02113 name: SuDPG def: "Bisuccinimidyl-succinamyl-aspartyl-prolyl-glycine." [PMID:26091612, PMID:17134140] synonym: "Disuccinimidyl-succinamyl-aspartyl-prolyl-glycine" EXACT [] property_value: CID_Fragment: "97.1" xsd:double property_value: CID_Fragment: "154.1" xsd:double property_value: CID_Fragment: "197.1" xsd:double property_value: CID_Fragment: "215.1" xsd:double property_value: reactionSites: "2" xsd:nonNegativeInteger property_value: spacerLength: "15.1" xsd:float is_a: XLMOD:00005 ! homofunctional cross-linker relationship: has_reactive_group XLMOD:00101 ! NHS ester relationship: is_cleavable XLMOD:00035 ! CID cleavable [Term] id: XLMOD:02114 name: IRCX def: "Dibenzoyloxysuccinimidylethyl phosphate." [PMID:18517224] comment: An IR chromogenic crosslinker. property_value: monoIsotopicMass: "330.0" xsd:double property_value: reactionSites: "2" xsd:nonNegativeInteger property_value: spacerLength: "16" xsd:float is_a: XLMOD:00005 ! homofunctional cross-linker relationship: has_reactive_group XLMOD:00101 ! NHS ester [Term] id: XLMOD:02115 name: BAMG def: "Bis(succinimidyl)-3-azidomethyl glutarate." [PMID:17600791] property_value: monoIsotopicMass: "125.048" xsd:double property_value: reactionSites: "2" xsd:nonNegativeInteger property_value: spacerLength: "7.5" xsd:float is_a: XLMOD:00005 ! homofunctional cross-linker relationship: has_reactive_group XLMOD:00101 ! NHS ester relationship: is_cleavable XLMOD:00042 ! TCEP cleavable [Term] id: XLMOD:02116 name: azide-DSG def: "Bis(succinimidyl)-3-azidomethyl glutarate." [PMID:20472459] property_value: monoIsotopicMass: "211.0" xsd:double property_value: reactionSites: "2" xsd:nonNegativeInteger property_value: spacerLength: "7.7" xsd:float is_a: XLMOD:00005 ! homofunctional cross-linker relationship: has_handle XLMOD:00055 ! azide relationship: has_reactive_group XLMOD:00101 ! NHS ester [Term] id: XLMOD:02117 name: 1 def: "Crosslinking reagent 1." [PMID:14698174] property_value: reactionSites: "2" xsd:nonNegativeInteger property_value: spacerLength: "8.7" xsd:float is_a: XLMOD:00005 ! homofunctional cross-linker relationship: has_handle XLMOD:00051 ! biotin relationship: has_property XLMOD:00014 ! hydrophilic relationship: has_reactive_group XLMOD:00101 ! NHS ester [Term] id: XLMOD:02118 name: JMV 3378 def: "Crosslinking reagent JMV 3378." [PMID:19902427] property_value: monoIsotopicMass: "268.0" xsd:double property_value: reactionSites: "2" xsd:nonNegativeInteger is_a: XLMOD:00005 ! homofunctional cross-linker relationship: has_handle XLMOD:00056 ! CHCA relationship: has_reactive_group XLMOD:00101 ! NHS ester [Term] id: XLMOD:02119 name: BuTuGPG def: "4-[3-(2-{2-[(2,5-dioxo-pyrrolidin-1-yloxycarbonyl-methyl)-carbamoyl]-pyrrolidin-1-yl}-2-oxo-ethyl)-thioureido]-butyric acid 2,5-dioxo-pyrrolidin-1-yl ester." [PMID:19950134] synonym: "NHS-butyric acid-thiourea-glycine-proline-glycine-NHS" EXACT [] synonym: "NHS-BuTuGPG-NHS" EXACT [] synonym: "Edman linker" EXACT [] property_value: monoIsotopicMass: "1686.84" xsd:double property_value: reactionSites: "2" xsd:nonNegativeInteger property_value: spacerLength: "16.7" xsd:float is_a: XLMOD:00005 ! homofunctional cross-linker relationship: has_reactive_group XLMOD:00101 ! NHS ester relationship: is_cleavable XLMOD:00035 ! CID cleavable [Term] id: XLMOD:02120 name: BuUrBu def: "NHS-amino butyric acid-urea-amino butyric acid-NHS." [CAS:1240387-33-0, PubChem_Compound:86106597, ChemSpiderID:65999926, PMID:30074391, PMID:21157862, PMID:20704385, PMID:25261217, PMID:27428000] synonym: "NHS-BuUrBu-NHS" EXACT [] synonym: "Disuccinimidyl dibutyric urea" EXACT [] synonym: "DSBU" EXACT [] property_value: CID_Fragment: "85.053" xsd:double property_value: CID_Fragment: "111.032" xsd:double property_value: doubletDeltaMass: "25.979" xsd:double property_value: reactionSites: "2" xsd:nonNegativeInteger property_value: spacerLength: "12.5" xsd:float is_a: XLMOD:00005 ! homofunctional cross-linker relationship: has_neutral_loss_reporter XLMOD:00057 ! generic neutral loss reporter relationship: has_reactive_group XLMOD:00101 ! NHS ester relationship: is_cleavable XLMOD:00035 ! CID cleavable [Term] id: XLMOD:02121 name: DPS def: "Diphtalimide suberate." [PMID:19994840] comment: Contains an eight-carbon spacer arm. property_value: reactionSites: "2" xsd:nonNegativeInteger is_a: XLMOD:00005 ! homofunctional cross-linker relationship: has_reactive_group XLMOD:00104 ! N-hydroxyphthalimide [Term] id: XLMOD:02122 name: SBBT def: "1,1'-(suberoyldioxy)bisbenzotriazole." [PMID:19994840] comment: Contains an eight-carbon spacer arm. property_value: reactionSites: "2" xsd:nonNegativeInteger is_a: XLMOD:00005 ! homofunctional cross-linker relationship: has_reactive_group XLMOD:00129 ! hydroxybenzotriazole [Term] id: XLMOD:02123 name: SBAT def: "1,1'-(suberoyldioxy)bisazabenzotriazole." [PMID:19994840] comment: Contains an eight-carbon spacer arm. property_value: reactionSites: "2" xsd:nonNegativeInteger is_a: XLMOD:00005 ! homofunctional cross-linker relationship: has_reactive_group XLMOD:00130 ! 1-hydroxy-7-azabenzotriazole [Term] id: XLMOD:02124 name: SDAD def: "Succinimidyl 2-([4,4'-azipentanamido]ethyl)-1,3'-dithiopropionate." [PMID:20635431, PMID:25251153] synonym: "NHS-SS-Diazirine" EXACT [] property_value: monoIsotopicMass: "273.0" xsd:double property_value: reactionSites: "2" xsd:nonNegativeInteger property_value: spacerLength: "13.5" xsd:float is_a: XLMOD:00006 ! heterofunctional cross-linker relationship: has_neutral_loss_reporter XLMOD:00057 ! generic neutral loss reporter relationship: has_reactive_group XLMOD:00101 ! NHS ester relationship: has_reactive_group XLMOD:00103 ! diazirine relationship: is_cleavable XLMOD:00023 ! cleavable S-S bond [Term] id: XLMOD:02125 name: Sulfo-SDAD def: "Sulfosuccinimidyl 2-([4,4'-azipentanamido]ethyl)-1,3'-dithiopropionate." [CAS:1226983-32-9, PubChem_Compound:124202976] synonym: "Sulfo-NHS-SS-Diazirine" EXACT [] property_value: monoIsotopicMass: "273.0" xsd:double property_value: reactionSites: "2" xsd:nonNegativeInteger property_value: spacerLength: "13.5" xsd:float is_a: XLMOD:00006 ! heterofunctional cross-linker relationship: has_neutral_loss_reporter XLMOD:00057 ! generic neutral loss reporter relationship: has_reactive_group XLMOD:00102 ! Sulfo NHS ester relationship: has_reactive_group XLMOD:00103 ! diazirine relationship: is_cleavable XLMOD:00023 ! cleavable S-S bond [Term] id: XLMOD:02126 name: DSSO def: "Disuccinimidyl sulfoxide." [PubChem_Compound:86106597, ChemSpiderID:65999926, PMID:20736410, PMID:27417384] property_value: reactionSites: "2" xsd:nonNegativeInteger property_value: spacerLength: "10.1" xsd:float is_a: XLMOD:00005 ! homofunctional cross-linker relationship: has_reactive_group XLMOD:00101 ! NHS ester relationship: is_cleavable XLMOD:00067 ! CID cleavable C-S bond [Term] id: XLMOD:02127 name: DEST def: "Diethylsuberthioimidate." [PubChem_Compound:88869905, ChemSpiderID:67491002, PMID:20795639, PMID:22460622] property_value: bridgeFormula: "C8 H12 N2" xsd:string property_value: monoIsotopicMass: "136.10004842" xsd:double property_value: reactionSites: "2" xsd:nonNegativeInteger property_value: spacerLength: "11.0" xsd:float is_a: XLMOD:00005 ! homofunctional cross-linker relationship: has_reactive_group XLMOD:00131 ! thioimidate relationship: is_cleavable XLMOD:00035 ! CID cleavable [Term] id: XLMOD:02128 name: cis-Diamminedichloroplatinum (II) def: "Cis-[Pt(NH3)2Cl2]." [CAS:15663-27-1, PubChem_Compound:441203, ChemSpiderID:76401, ChemicalBookNo:CB9236183, PMID:21591778, PMID:16875836] synonym: "Cis-platin" EXACT [] synonym: "CPT" EXACT [] property_value: monoIsotopicMass: "225.995" xsd:double property_value: reactionSites: "2" xsd:nonNegativeInteger property_value: spacerLength: "4.63" xsd:float is_a: XLMOD:00005 ! homofunctional cross-linker relationship: has_reactive_group XLMOD:00132 ! platinum(II) [Term] id: XLMOD:02129 name: DC4 def: "DC4 cross-linker containing a DABCO (1,4-diazabicyclo[2.2.2]octane) moiety." [CAS:1374647-94-5, ChemSpiderID:29763722, ChemicalBookNo:CB63152601, PMID:22131227] property_value: reactionSites: "2" xsd:nonNegativeInteger property_value: spacerLength: "18.0" xsd:float is_a: XLMOD:00005 ! homofunctional cross-linker relationship: has_reactive_group XLMOD:00101 ! NHS ester relationship: is_cleavable XLMOD:00018 ! cleavable by MS2 labile bond relationship: is_cleavable XLMOD:00035 ! CID cleavable relationship: is_cleavable XLMOD:00040 ! ISD cleavable [Term] id: XLMOD:02130 name: ASBA def: "4-(p-Azidosalicylamido)butylamine." [MDL:MFCD00153599, ChemSpiderID:8013538, ChemicalBookNo:CB0295398] property_value: reactionSites: "2" xsd:nonNegativeInteger property_value: spacerLength: "16.3" xsd:float is_a: XLMOD:00006 ! heterofunctional cross-linker relationship: has_property XLMOD:00013 ! membrane permeable relationship: has_property XLMOD:00020 ! iodinatable relationship: has_reactive_group XLMOD:00125 ! hydroxyphenyl azide relationship: has_reactive_group XLMOD:00133 ! amine reactive group [Term] id: XLMOD:02131 name: SPB def: "Succinimidyl-[4-(psoralen-8-yloxy)]-butyrate." [CAS:129211-47-8, PubChem_Compound:15950836, MDL:MFCD01868521, ChemicalBookNo:CB5449965] synonym: "NHS-Psoralen" EXACT [] property_value: reactionSites: "2" xsd:nonNegativeInteger property_value: spacerLength: "8.6" xsd:float is_a: XLMOD:00006 ! heterofunctional cross-linker relationship: has_reactive_group XLMOD:00101 ! NHS ester relationship: has_reactive_group XLMOD:00134 ! psoralen [Term] id: XLMOD:02132 name: Sulfo-NHS-LC-ASA def: "Sulfosuccinimidyl(4-azido-salicylamido) hexanoate." [CAS:184533-12-8, PubChem_Compound:10162222, ChemSpiderID:8337730, ChemicalBookNo:CB8475750] synonym: "Sulfo-NHS-Long Chain-ASA" EXACT [] synonym: "SAH" EXACT [] property_value: reactionSites: "2" xsd:nonNegativeInteger property_value: spacerLength: "18.0" xsd:float is_a: XLMOD:00006 ! heterofunctional cross-linker relationship: has_property XLMOD:00020 ! iodinatable relationship: has_reactive_group XLMOD:00102 ! Sulfo NHS ester relationship: has_reactive_group XLMOD:00125 ! hydroxyphenyl azide [Term] id: XLMOD:02133 name: Sulfo-SFAD def: "Sulfosuccinimidyl(perfluoroazidobenzamido)ethyl-1,3´-dithiopropionate." [CAS:220446-74-2, PubChem_Compound:90471066, ChemSpiderID:30798432, ChemicalBookNo:CB9178443] property_value: reactionSites: "2" xsd:nonNegativeInteger property_value: spacerLength: "14.6" xsd:float is_a: XLMOD:00006 ! heterofunctional cross-linker relationship: has_reactive_group XLMOD:00102 ! Sulfo NHS ester relationship: has_reactive_group XLMOD:00136 ! perfluoroaryl azide relationship: is_cleavable XLMOD:00023 ! cleavable S-S bond [Term] id: XLMOD:02134 name: SDA def: "Succinimidyl-ester diazirine." [PubChem_Compound:89937136, MDL:MFCD28899672] synonym: "NHS-Diazirine" EXACT [] property_value: bridgeFormula: "C5 H6 O1" xsd:string property_value: monoIsotopicMass: "82.04186484" xsd:double property_value: reactionSites: "2" xsd:nonNegativeInteger property_value: spacerLength: "3.9" xsd:float is_a: XLMOD:00006 ! heterofunctional cross-linker relationship: has_reactive_group XLMOD:00101 ! NHS ester relationship: has_reactive_group XLMOD:00103 ! diazirine [Term] id: XLMOD:02135 name: LC-SDA def: "NHS-LC-Diazirine." [PSI:XL] synonym: "NHS-LC-Diazirine" EXACT [] synonym: "Long Chain-SDA" EXACT [] synonym: "Succinimidyl 6-(4,4'-azipentanamido)hexanoate" EXACT [] property_value: bridgeFormula: "C11 H12 N1 O2" xsd:string property_value: monoIsotopicMass: "195.125928855" xsd:double property_value: reactionSites: "2" xsd:nonNegativeInteger property_value: spacerLength: "12.5" xsd:float is_a: XLMOD:00006 ! heterofunctional cross-linker relationship: has_reactive_group XLMOD:00101 ! NHS ester relationship: has_reactive_group XLMOD:00103 ! diazirine [Term] id: XLMOD:02136 name: Sulfo-SDA def: "Sulfo-NHS-Diazirine." [PubChem_Compound:121371016] synonym: "Sulfosuccinimidyl 4,4'-azipentanoate" EXACT [] property_value: reactionSites: "2" xsd:nonNegativeInteger property_value: spacerLength: "3.9" xsd:float is_a: XLMOD:00006 ! heterofunctional cross-linker relationship: has_reactive_group XLMOD:00102 ! Sulfo NHS ester relationship: has_reactive_group XLMOD:00103 ! diazirine [Term] id: XLMOD:02137 name: Sulfo-LC-SDA def: "Sulfo-NHS-LC-Diazirine." [CAS:1909307-62-5, PubChem_Compound:124202974, MDL:MFCD28899432] synonym: "Sulfosuccinimidyl 6-(4,4'-azipentanamido)hexanoate" EXACT [] property_value: reactionSites: "2" xsd:nonNegativeInteger property_value: spacerLength: "12.5" xsd:float is_a: XLMOD:00006 ! heterofunctional cross-linker relationship: has_property XLMOD:00014 ! hydrophilic relationship: has_reactive_group XLMOD:00102 ! Sulfo NHS ester relationship: has_reactive_group XLMOD:00103 ! diazirine [Term] id: XLMOD:02138 name: DMA def: "Dimethyl adipimidate dihydrochloride." [CAS:14620-72-5, PubChem_Compound:25738, ChemSpiderID:34991296, ChemicalBookNo:CB4714688] property_value: reactionSites: "2" xsd:nonNegativeInteger property_value: spacerLength: "8.6" xsd:float is_a: XLMOD:00005 ! homofunctional cross-linker relationship: has_property XLMOD:00013 ! membrane permeable relationship: has_property XLMOD:00014 ! hydrophilic relationship: has_reactive_group XLMOD:00111 ! imidoester [Term] id: XLMOD:02139 name: DMP def: "Dimethyl pimelimidate dihydrochloride." [CAS:58537-94-3, PubChem_Compound:11402688, ChemSpiderID:10637821, ChemicalBookNo:CB7380424] synonym: "Dimethyl pimelinediimidate dihydrochloride" EXACT [] property_value: bridgeFormula: "C7 H10 N2" xsd:string property_value: monoIsotopicMass: "122.08439835" xsd:double property_value: reactionSites: "2" xsd:nonNegativeInteger property_value: spacerLength: "9.2" xsd:float is_a: XLMOD:00005 ! homofunctional cross-linker relationship: has_property XLMOD:00013 ! membrane permeable relationship: has_property XLMOD:00014 ! hydrophilic relationship: has_reactive_group XLMOD:00111 ! imidoester [Term] id: XLMOD:02140 name: DMS def: "Dimethyl suberimidate dihydrochloride." [CAS:34490-86-3, PubChem_Compound:118696, ChemicalBookNo:CB9142806] synonym: "Dimethyl ester octanediimidic acid dihydrochloride" EXACT [] synonym: "1,8-Dimethoxyoctane-1,8-diyldiammonium dichloride" EXACT [] property_value: reactionSites: "2" xsd:nonNegativeInteger property_value: spacerLength: "11.0" xsd:float is_a: XLMOD:00005 ! homofunctional cross-linker relationship: has_property XLMOD:00013 ! membrane permeable relationship: has_property XLMOD:00014 ! hydrophilic relationship: has_reactive_group XLMOD:00111 ! imidoester [Term] id: XLMOD:02141 name: DTBP def: "Dimethyl 3,3'-dithiobispropionimidate dihydrochloride." [CAS:38285-78-8, PubChem_Compound:123988, ChemSpiderID:10628577, ChemicalBookNo:CB5208751] property_value: reactionSites: "2" xsd:nonNegativeInteger property_value: spacerLength: "11.9" xsd:float is_a: XLMOD:00005 ! homofunctional cross-linker relationship: has_property XLMOD:00013 ! membrane permeable relationship: has_property XLMOD:00014 ! hydrophilic relationship: has_reactive_group XLMOD:00111 ! imidoester relationship: is_cleavable XLMOD:00023 ! cleavable S-S bond [Term] id: XLMOD:02142 name: Sulfo-BSOCOES def: "Bis(2-[Sulfosuccinimidooxycarbonyloxy]ethyl) sulfone." [CAS:161011-72-9, PubChem_Compound:10232304, ChemicalBookNo:CB62131214, PMID:7356718] property_value: reactionSites: "2" xsd:nonNegativeInteger property_value: spacerLength: "13.0" xsd:float is_a: XLMOD:00005 ! homofunctional cross-linker relationship: has_reactive_group XLMOD:00102 ! Sulfo NHS ester relationship: is_cleavable XLMOD:00061 ! base cleavable [Term] id: XLMOD:02143 name: BMH def: "1,6-Bis-maleimidohexane." [CAS:4856-87-5, PubChem_Compound:20992, ChemSpiderID:19746, ChemicalBookNo:CB9745265] property_value: reactionSites: "2" xsd:nonNegativeInteger property_value: spacerLength: "16.1" xsd:float is_a: XLMOD:00005 ! homofunctional cross-linker relationship: has_property XLMOD:00013 ! membrane permeable relationship: has_reactive_group XLMOD:00106 ! maleimide [Term] id: XLMOD:02144 name: DFDNB def: "1-5-Difluoro-2,4-dinitrobenzene." [CAS:327-92-4, PubChem_Compound:67598, ChemSpiderID:60919, ChemicalBookNo:CB2488813] property_value: reactionSites: "2" xsd:nonNegativeInteger property_value: spacerLength: "3.0" xsd:float is_a: XLMOD:00005 ! homofunctional cross-linker is_a: XLMOD:09243 ! Sanger type reagent relationship: has_reactive_group XLMOD:00145 ! aryl halide [Term] id: XLMOD:02145 name: SMPT def: "4-Succinimidyloxycarbonyl-methyl-alpha-(2-pyridyldithio)toluene." [CAS:112241-19-7, PubChem_Compound:130706, MDL:MFCD00083161, ChemSpiderID:115608, ChemicalBookNo:CB5359464] property_value: reactionSites: "2" xsd:nonNegativeInteger property_value: spacerLength: "11.2" xsd:float is_a: XLMOD:00006 ! heterofunctional cross-linker relationship: has_property XLMOD:00013 ! membrane permeable relationship: has_reactive_group XLMOD:00101 ! NHS ester relationship: has_reactive_group XLMOD:00109 ! pyridinyldisulfide [Term] id: XLMOD:02146 name: SDBP def: "N-hydroxysuccinimidyl-2-3-dibromopropionate." [CAS:118790-78-6, PubChem_Compound:195278, ChemSpiderID:169350, ChemicalBookNo:CB61318997] property_value: reactionSites: "2" xsd:nonNegativeInteger is_a: XLMOD:00006 ! heterofunctional cross-linker relationship: has_property XLMOD:00013 ! membrane permeable relationship: has_reactive_group XLMOD:00101 ! NHS ester relationship: has_reactive_group XLMOD:00128 ! bromoacetyl [Term] id: XLMOD:02147 name: HSAB def: "N-hydroxysuccinimidyl 4-azidobenzoate." [CAS:53053-08-0, PubChem_Compound:122153, MDL:MFCD00054963, ChemSpiderID:108951, ChemicalBookNo:CB5187007] synonym: "4-Azidobenzoyloxysuccinimide" EXACT [] synonym: "2,5-dioxopyrrolidin-1-yl) 4-azidobenzoate" EXACT [] property_value: reactionSites: "2" xsd:nonNegativeInteger property_value: spacerLength: "9.0" xsd:float is_a: XLMOD:00006 ! heterofunctional cross-linker relationship: has_property XLMOD:00013 ! membrane permeable relationship: has_reactive_group XLMOD:00101 ! NHS ester relationship: has_reactive_group XLMOD:00126 ! phenyl azide [Term] id: XLMOD:02148 name: ASIB def: "1-(p-azidosalicylamido)-4-(iodoacetamido)butane." [PubChem_Compound:10002006, ChemSpiderID:8177587, ChemicalBookNo:CB3741230] synonym: "1-(4-Azidosalicylamido)-4-(iodoacetamido)butane" EXACT [] synonym: "4-Azido-2-hydroxy-N-{4-[(iodoacetyl)amino]butyl}benzamide" EXACT [] property_value: reactionSites: "2" xsd:nonNegativeInteger property_value: spacerLength: "18.8" xsd:float is_a: XLMOD:00006 ! heterofunctional cross-linker relationship: has_property XLMOD:00013 ! membrane permeable relationship: has_reactive_group XLMOD:00126 ! phenyl azide relationship: has_reactive_group XLMOD:00127 ! iodoacetyl [Term] id: XLMOD:02149 name: SAND def: "Succinimidyl-2-[m-azido-o-nitrobenzamido]ethyl-1,3'-dithiopropionate." [MDL:MFCD02091654] property_value: reactionSites: "2" xsd:nonNegativeInteger property_value: spacerLength: "18.5" xsd:float is_a: XLMOD:00006 ! heterofunctional cross-linker relationship: has_property XLMOD:00014 ! hydrophilic relationship: has_reactive_group XLMOD:00101 ! NHS ester relationship: has_reactive_group XLMOD:00107 ! nitrophenyl azide relationship: is_cleavable XLMOD:00041 ! thiol cleavable [Term] id: XLMOD:02150 name: SADP def: "N-Succinimidyl (4-azidophenyl) 1,3´-dithiopropionate." [CAS:74676-98-5, PubChem_Compound:494250, ChemSpiderID:432600, ChemicalBookNo:CB7748141] property_value: reactionSites: "2" xsd:nonNegativeInteger property_value: spacerLength: "13.9" xsd:float is_a: XLMOD:00006 ! heterofunctional cross-linker relationship: has_property XLMOD:00013 ! membrane permeable relationship: has_reactive_group XLMOD:00101 ! NHS ester relationship: has_reactive_group XLMOD:00126 ! phenyl azide relationship: is_cleavable XLMOD:00023 ! cleavable S-S bond [Term] id: XLMOD:02151 name: PNP-DTP def: "p-nitrophenyl-2-diazo-3,3,3-trifluoropropionate." [CAS:59733-94-7, PubChem_Compound:5748175, ChemSpiderID:11489106, ChemicalBookNo:CB41358102] property_value: reactionSites: "2" xsd:nonNegativeInteger property_value: spacerLength: "10.0" xsd:float is_a: XLMOD:00006 ! heterofunctional cross-linker relationship: has_property XLMOD:00013 ! membrane permeable relationship: has_property XLMOD:00020 ! iodinatable relationship: has_reactive_group XLMOD:00107 ! nitrophenyl azide relationship: has_reactive_group XLMOD:00137 ! diazo group [Term] id: XLMOD:02152 name: SAED def: "Succinimidyl-2-(7-azido-4-methylcoumarin-3-acetamido)ethyl-1,3'-dithiopropionate." [CAS:139609-20-4,PubChem_Compound:90469951, ChemSpiderID:52563941, ChemicalBookNo:CB5455874, PMID:1597185] property_value: reactionSites: "2" xsd:nonNegativeInteger property_value: spacerLength: "23.6" xsd:float is_a: XLMOD:00006 ! heterofunctional cross-linker relationship: has_property XLMOD:00013 ! membrane permeable relationship: has_reactive_group XLMOD:00102 ! Sulfo-NHS ester relationship: has_reactive_group XLMOD:00135 ! azido-methylcoumarin relationship: is_cleavable XLMOD:00023 ! cleavable S-S bond [Term] id: XLMOD:02153 name: Sulfo-SAMCA def: "Sulfosuccinimidyl-7-azido-4-methylcoumarin-3-acetate." [CAS:223572-57-4, PubChem_Compound:10137892, ChemSpiderID:8313404, ChemicalBookNo:CB02702784] property_value: reactionSites: "2" xsd:nonNegativeInteger property_value: spacerLength: "12.8" xsd:float is_a: XLMOD:00006 ! heterofunctional cross-linker relationship: has_property XLMOD:00013 ! membrane permeable relationship: has_reactive_group XLMOD:00102 ! Sulfo NHS ester relationship: has_reactive_group XLMOD:00135 ! azido-methylcoumarin [Term] id: XLMOD:02154 name: MSA def: "Methyl N-succinimidyl adipate." [CAS:118380-06-6, PubChem_Compound:4458286, ChemSpiderID:3657094, ChemicalBookNo:CB3716645] property_value: reactionSites: "2" xsd:nonNegativeInteger property_value: spacerLength: "7.2" xsd:float is_a: XLMOD:00006 ! heterofunctional cross-linker relationship: has_reactive_group XLMOD:00101 ! NHS ester [Term] id: XLMOD:02155 name: Maleimide-PEG2-NHS def: "Succinimidyl-[(N-maleimidopropionamido)-diethyleneglycol] ester." [CAS:955094-26-5, PubChem_Compound:51340948, MDL:MFCD11041137, ChemSpiderID:32055652, ChemicalBookNo:CB22501435] synonym: "NHS-PEG2-Maleimide" EXACT [] synonym: "Malamido-PEG2-NHS" EXACT [] synonym: "Succinimide-Maleimide PEG" EXACT [] synonym: "SM[PEG]2" EXACT [] property_value: hydrophilicPEGchain: "2" xsd:nonNegativeInteger property_value: reactionSites: "2" xsd:nonNegativeInteger property_value: spacerLength: "17.6" xsd:float is_a: XLMOD:00006 ! heterofunctional cross-linker relationship: has_reactive_group XLMOD:00101 ! NHS ester relationship: has_reactive_group XLMOD:00106 ! maleimide [Term] id: XLMOD:02156 name: Maleimide-PEG6-NHS def: "Succinimidyl-[(N-maleimidopropionamido)-hexaethyleneglycol] ester." [CAS:1137109-21-7, PubChem_Compound:77078209, MDL:MFCD11041093, ChemSpiderID:32055650, ChemicalBookNo:CB82546919] synonym: "NHS-PEG6-Maleimide" EXACT [] synonym: "Malamido-PEG6-NHS" EXACT [] synonym: "SM[PEG]6" EXACT [] property_value: hydrophilicPEGchain: "6" xsd:nonNegativeInteger property_value: reactionSites: "2" xsd:nonNegativeInteger property_value: spacerLength: "32.5" xsd:float is_a: XLMOD:00006 ! heterofunctional cross-linker relationship: has_reactive_group XLMOD:00101 ! NHS ester relationship: has_reactive_group XLMOD:00106 ! maleimide [Term] id: XLMOD:02157 name: Maleimide-PEG8-NHS def: "Succinimidyl-[(N-maleimidopropionamido)-octaethyleneglycol] ester." [CAS:756525-93-6, PubChem_Compound:57568672, MDL:MFCD11041144, ChemSpiderID:32055649, ChemicalBookNo:CB62546920] synonym: "NHS-PEG8-Maleimide" EXACT [] synonym: "Malamido-PEG8-NHS" EXACT [] synonym: "SM[PEG]8" EXACT [] property_value: hydrophilicPEGchain: "8" xsd:nonNegativeInteger property_value: reactionSites: "2" xsd:nonNegativeInteger property_value: spacerLength: "39.25" xsd:float is_a: XLMOD:00006 ! heterofunctional cross-linker relationship: has_reactive_group XLMOD:00101 ! NHS ester relationship: has_reactive_group XLMOD:00106 ! maleimide [Term] id: XLMOD:02158 name: Maleimide-PEG12-NHS def: "Succinimidyl-[(N-maleimidopropionamido)-dodecaethyleneglycol] ester." [CAS:1426151-00-9, PubChem_Compound:51340947, MDL:MFCD11041148, ChemSpiderID:32055629, ChemicalBookNo:CB32750847] synonym: "NHS-PEG12-Maleimide" EXACT [] synonym: "Malamido-PEG12-NHS" EXACT [] synonym: "SM[PEG]12" EXACT [] property_value: hydrophilicPEGchain: "12" xsd:nonNegativeInteger property_value: reactionSites: "2" xsd:nonNegativeInteger property_value: spacerLength: "53.4" xsd:float is_a: XLMOD:00006 ! heterofunctional cross-linker relationship: has_reactive_group XLMOD:00101 ! NHS ester relationship: has_reactive_group XLMOD:00106 ! maleimide [Term] id: XLMOD:02159 name: Maleimide-PEG24-NHS def: "Succinimidyl-[(N-maleimidopropionamido)-tetracosaethyleneglycol] ester." [PubChem_Compound:89408683] synonym: "NHS-PEG24-Maleimide" EXACT [] synonym: "Malamido-PEG24-NHS" EXACT [] synonym: "SM[PEG]24" EXACT [] property_value: hydrophilicPEGchain: "24" xsd:nonNegativeInteger property_value: reactionSites: "2" xsd:nonNegativeInteger property_value: spacerLength: "95.2" xsd:float is_a: XLMOD:00006 ! heterofunctional cross-linker relationship: has_reactive_group XLMOD:00101 ! NHS ester relationship: has_reactive_group XLMOD:00106 ! maleimide [Term] id: XLMOD:02160 name: 11-Maleimidoundecanoic Acid Sulfo-N-Succinimidyl Ester def: "11-Maleimidoundecanoic Acid Sulfo-N-Succinimidyl Ester cross-linker." [CAS:211236-68-9, PubChem_Compound:5066232, MDL:MFCD01075057, ChemSpiderID:4243138, ChemicalBookNo:CB51025445] synonym: "Sulfo-Kmus" EXACT [] property_value: hydrophilicPEGchain: "4" xsd:nonNegativeInteger property_value: reactionSites: "2" xsd:nonNegativeInteger property_value: spacerLength: "15.7" xsd:float is_a: XLMOD:00006 ! heterofunctional cross-linker relationship: has_reactive_group XLMOD:00102 ! Sulfo NHS ester relationship: has_reactive_group XLMOD:00106 ! maleimide [Term] id: XLMOD:02161 name: DTME def: "Dithio-bis-maleimidoethane." [CAS:71865-37-7, PubChem_Compound:191989, MDL:MFCD01863385, ChemSpiderID:166677, ChemicalBookNo:CB3134825] synonym: "Dithio-bis-maleimidoethane" EXACT [] property_value: reactionSites: "2" xsd:nonNegativeInteger property_value: spacerLength: "13.3" xsd:float is_a: XLMOD:00005 ! homofunctional cross-linker relationship: has_reactive_group XLMOD:00106 ! maleimide relationship: is_cleavable XLMOD:00023 ! cleavable S-S bond [Term] id: XLMOD:02162 name: 3-N-Maleimidobenzoic Acid N-Succinimidyl Ester def: "3-N-Maleimidobenzoic Acid N-Succinimidyl Ester cross-linker." [CAS:58626-38-3, PubChem_Compound:93861, ChemSpiderID:84714, ChemicalBookNo:CB0342553] property_value: reactionSites: "2" xsd:nonNegativeInteger property_value: spacerLength: "9.9" xsd:float is_a: XLMOD:00006 ! heterofunctional cross-linker relationship: has_reactive_group XLMOD:00101 ! NHS ester relationship: has_reactive_group XLMOD:00106 ! maleimide [Term] id: XLMOD:02163 name: N-Succinimidyl 3-(Bromoacetamido)propionate def: "N-Succinimidyl 3-(Bromoacetamido)propionate cross-linker." [CAS:57159-62-3, PubChem_Compound:4463814, ChemSpiderID:3662399, ChemicalBookNo:CB1123003] property_value: reactionSites: "2" xsd:nonNegativeInteger property_value: spacerLength: "6.2" xsd:float is_a: XLMOD:00006 ! heterofunctional cross-linker relationship: has_reactive_group XLMOD:00101 ! NHS ester relationship: has_reactive_group XLMOD:00128 ! bromoacetyl [Term] id: XLMOD:02164 name: MTS-3-MTS def: "1,3-Propanediyl bismethanethiosulfonate." [CAS:55-96-9, PubChem_Compound:571841, ChemSpiderID:497206, ChemicalBookNo:CB51175454] property_value: reactionSites: "2" xsd:nonNegativeInteger is_a: XLMOD:00005 ! homofunctional cross-linker relationship: has_reactive_group XLMOD:00121 ! methanethiosulfonate [Term] id: XLMOD:02165 name: MTS-4-MTS def: "1,4-Butanediyl bismethanethiosulfonate." [CAS:55-99-2, PubChem_Compound:241169, ChemSpiderID:210759, ChemicalBookNo:CB11175456] property_value: reactionSites: "2" xsd:nonNegativeInteger is_a: XLMOD:00005 ! homofunctional cross-linker relationship: has_reactive_group XLMOD:00121 ! methanethiosulfonate [Term] id: XLMOD:02166 name: MTS-5-MTS def: "1,5-Pentanediyl bismethanethiosulfonate." [ChemSpiderID:58967] property_value: reactionSites: "2" xsd:nonNegativeInteger is_a: XLMOD:00005 ! homofunctional cross-linker relationship: has_reactive_group XLMOD:00121 ! methanethiosulfonate [Term] id: XLMOD:02167 name: MTS-6-MTS def: "1,6-Hexanediyl bismethanethiosulfonate." [CAS:56-01-9, PubChem_Compound:3360826, ChemSpiderID:2606746, ChemicalBookNo:CB61497498] property_value: reactionSites: "2" xsd:nonNegativeInteger is_a: XLMOD:00005 ! homofunctional cross-linker relationship: has_reactive_group XLMOD:00121 ! methanethiosulfonate [Term] id: XLMOD:02168 name: 6-maleimidocaproic acid def: "6-Maleimidocaproic acid cross-linker." [CAS:55750-53-3, PubChem_Compound:573683, MDL:MFCD00043140, ChemSpiderID:498795, ChemicalBookNo:CB6300928] property_value: reactionSites: "2" xsd:nonNegativeInteger property_value: spacerLength: "9.4" xsd:float is_a: XLMOD:00006 ! heterofunctional cross-linker is_a: XLMOD:00006 ! heterofunctional cross-linker relationship: has_reactive_group XLMOD:00106 ! maleimide relationship: has_reactive_group XLMOD:00138 ! carboxyl [Term] id: XLMOD:02169 name: SFAD def: "Succinimidyl(perfluoroazidobenzamido)ethyl-1,3´-dithiopropionate." [PubChem_Compound:90471066, ChemSpiderID:30798432, ChemicalBookNo:CB9178443] property_value: reactionSites: "2" xsd:nonNegativeInteger property_value: spacerLength: "14.6" xsd:float is_a: XLMOD:00006 ! heterofunctional cross-linker relationship: has_property XLMOD:00014 ! hydrophilic relationship: has_reactive_group XLMOD:00101 ! NHS ester relationship: has_reactive_group XLMOD:00136 ! perfluoroaryl azide relationship: is_cleavable XLMOD:00023 ! cleavable S-S bond [Term] id: XLMOD:02170 name: LCABH def: "LCABH cross-linker." [PSI:XL] property_value: reactionSites: "2" xsd:nonNegativeInteger property_value: spacerLength: "14.6" xsd:float is_a: XLMOD:00006 ! heterofunctional cross-linker relationship: has_reactive_group XLMOD:00110 ! hydrazide relationship: has_reactive_group XLMOD:00126 ! phenyl azide relationship: is_activatable XLMOD:00149 ! photoactivatable [Term] id: XLMOD:02171 name: NHS-LC-ASA def: "Succinimidyl(4-azido-salicylamido) hexanoate." [PSI:XL] synonym: "NHS-Long Chain-ASA" EXACT [] property_value: reactionSites: "2" xsd:nonNegativeInteger property_value: spacerLength: "18.0" xsd:float is_a: XLMOD:00006 ! heterofunctional cross-linker relationship: has_property XLMOD:00020 ! iodinatable relationship: has_reactive_group XLMOD:00101 ! NHS ester relationship: has_reactive_group XLMOD:00125 ! hydroxyphenyl azide [Term] id: XLMOD:02172 name: AEDP-HCl def: "3-([2-Aminoethyl] dithio)-propionic acid hydrochloride." [CAS:351422-31-6, ChemSpiderID:4366598, ChemicalBookNo:CB11564306] property_value: reactionSites: "2" xsd:nonNegativeInteger property_value: spacerLength: "9.5" xsd:float is_a: XLMOD:00006 ! heterofunctional cross-linker relationship: has_reactive_group XLMOD:00133 ! amine reactive group relationship: has_reactive_group XLMOD:00138 ! carboxyl relationship: is_cleavable XLMOD:00023 ! cleavable S-S bond [Term] id: XLMOD:02173 name: AMAS def: "N-(alpha-Maleimidoacetoxy)-succinimide ester." [CAS:55750-61-3, PubChem_Compound:3299229, ChemSpiderID:2547634, ChemicalBookNo:CB4326351] property_value: reactionSites: "2" xsd:nonNegativeInteger property_value: spacerLength: "4.4" xsd:float is_a: XLMOD:00006 ! heterofunctional cross-linker relationship: has_property XLMOD:00013 ! membrane permeable relationship: has_reactive_group XLMOD:00101 ! NHS ester relationship: has_reactive_group XLMOD:00106 ! maleimide [Term] id: XLMOD:02174 name: BMB def: "1,4-Bis-Maleimidobutane." [CAS:28537-70-4, PubChem_Compound:239576, ChemSpiderID:209301, ChemicalBookNo:CB4131366] property_value: reactionSites: "2" xsd:nonNegativeInteger property_value: spacerLength: "10.9" xsd:float is_a: XLMOD:00005 ! homofunctional cross-linker relationship: has_reactive_group XLMOD:00106 ! maleimide [Term] id: XLMOD:02175 name: BMDB def: "1,4-Bis-Maleimidyl-2,3-dihydroxybutane." [ChemSpiderID:4222027, ChemicalBookNo:CB9370889] property_value: reactionSites: "2" xsd:nonNegativeInteger property_value: spacerLength: "10.2" xsd:float is_a: XLMOD:00005 ! homofunctional cross-linker relationship: has_reactive_group XLMOD:00106 ! maleimide relationship: is_cleavable XLMOD:00024 ! periodate cleavable [Term] id: XLMOD:02176 name: BMOE def: "Bis-Maleimidoethane." [CAS:5132-30-9, PubChem_Compound:237509, MDL:MFCD00458699, ChemSpiderID:11359915, ChemicalBookNo:CB5476024] property_value: reactionSites: "2" xsd:nonNegativeInteger property_value: spacerLength: "8.0" xsd:float is_a: XLMOD:00005 ! homofunctional cross-linker relationship: has_reactive_group XLMOD:00106 ! maleimide [Term] id: XLMOD:02177 name: BMPA def: "N-beta-Maleimidopropionic acid." [CAS:7423-55-4, PubChem_Compound:573621, ChemSpiderID:498738, ChemicalBookNo:CB1371466] property_value: reactionSites: "2" xsd:nonNegativeInteger property_value: spacerLength: "5.9" xsd:float is_a: XLMOD:00006 ! heterofunctional cross-linker relationship: has_reactive_group XLMOD:00106 ! maleimide relationship: has_reactive_group XLMOD:00138 ! carboxyl [Term] id: XLMOD:02178 name: BMPH def: "N-(beta-Maleimidopropionic acid)hydrazide." [CAS:359436-60-5, PubChem_Compound:4401583, ChemSpiderID:3602748, ChemicalBookNo:CB0106874] property_value: reactionSites: "2" xsd:nonNegativeInteger property_value: spacerLength: "8.1" xsd:float is_a: XLMOD:00006 ! heterofunctional cross-linker relationship: has_reactive_group XLMOD:00106 ! maleimide relationship: has_reactive_group XLMOD:00110 ! hydrazide [Term] id: XLMOD:02179 name: BM(PEG)2 def: "1,8-Bis-Maleimidodiethyleneglycol." [CAS:115597-84-7, PubChem_Compound:3690297, MDL:MFCD01096749, ChemSpiderID:2922525, ChemicalBookNo:CB9190751] synonym: "BM[PEO]2" EXACT [] synonym: "maleimide-PEG2-maleimide" EXACT [] property_value: hydrophilicPEGchain: "2" xsd:nonNegativeInteger property_value: reactionSites: "2" xsd:nonNegativeInteger property_value: spacerLength: "14.7" xsd:float is_a: XLMOD:00005 ! homofunctional cross-linker relationship: has_property XLMOD:00014 ! hydrophilic relationship: has_reactive_group XLMOD:00106 ! maleimide [Term] id: XLMOD:02180 name: BM(PEG)3 def: "1,8-Bis-Maleimidotriethyleneglycol." [CAS:86099-06-1, PubChem_Compound:3331999, ChemSpiderID:2579075, ChemicalBookNo:CB9190751] synonym: "BM[PEO]3" EXACT [] synonym: "maleimide-PEG3-maleimide" EXACT [] property_value: hydrophilicPEGchain: "3" xsd:nonNegativeInteger property_value: reactionSites: "2" xsd:nonNegativeInteger property_value: spacerLength: "17.8" xsd:float is_a: XLMOD:00005 ! homofunctional cross-linker relationship: has_property XLMOD:00014 ! hydrophilic relationship: has_reactive_group XLMOD:00106 ! maleimide [Term] id: XLMOD:02181 name: BM(PEG)4 def: "1,11-Bis-Maleimidotetraethyleneglycol." [CAS:86099-06-1, PubChem_Compound:3331999, ChemSpiderID:2579075, ChemicalBookNo:CB8506674] synonym: "BM[PEO]4" EXACT [] synonym: "maleimide-PEG4-maleimide" EXACT [] property_value: hydrophilicPEGchain: "4" xsd:nonNegativeInteger property_value: reactionSites: "2" xsd:nonNegativeInteger property_value: spacerLength: "19.9" xsd:float is_a: XLMOD:00005 ! homofunctional cross-linker relationship: has_property XLMOD:00014 ! hydrophilic relationship: has_reactive_group XLMOD:00106 ! maleimide [Term] id: XLMOD:02182 name: C6-SANH def: "C6-Succinimidyl 4-hydrazinonicotinate acetone hydrazone." [CAS:937249-76-8, ChemicalBookNo:CB9456561] comment: SANH with extended six carbon linker. property_value: reactionSites: "2" xsd:nonNegativeInteger property_value: spacerLength: "14.4" xsd:float is_a: XLMOD:00006 ! heterofunctional cross-linker relationship: has_reactive_group XLMOD:00101 ! NHS ester relationship: has_reactive_group XLMOD:00143 ! hydrazone [Term] id: XLMOD:02183 name: C6-4-SFB def: "C6-Succinimidyl 4-formylbenzoate." [CAS:1005773-18-1, ChemicalBookNo:CB0456285] comment: SFB with extended six carbon linker. property_value: reactionSites: "2" xsd:nonNegativeInteger property_value: spacerLength: "13.5" xsd:float is_a: XLMOD:00006 ! heterofunctional cross-linker relationship: has_reactive_group XLMOD:00101 ! NHS ester relationship: has_reactive_group XLMOD:00141 ! carbonyl [Term] id: XLMOD:02184 name: SBAP def: "Succinimdyl 3-(bromoacetamido)propionate." [CAS:57159-62-3, PubChem_Compound:4463814, ChemSpiderID:3662399, ChemicalBookNo:CB1123003] property_value: reactionSites: "2" xsd:nonNegativeInteger property_value: spacerLength: "6.2" xsd:float is_a: XLMOD:00006 ! heterofunctional cross-linker relationship: has_reactive_group XLMOD:00101 ! NHS ester relationship: has_reactive_group XLMOD:00128 ! bromoacetyl [Term] id: XLMOD:02185 name: SFB def: "Succinimidyl 4-formylbenzoate." [CAS:60444-78-2, PubChem_Compound:4126130, ChemSpiderID:3339198, ChemicalBookNo:CB7361809] property_value: reactionSites: "2" xsd:nonNegativeInteger property_value: spacerLength: "5.8" xsd:float is_a: XLMOD:00006 ! heterofunctional cross-linker relationship: has_reactive_group XLMOD:00101 ! NHS ester relationship: has_reactive_group XLMOD:00141 ! carbonyl [Term] id: XLMOD:02186 name: SHTH def: "Succinimidyl 4-hydrazidoterephthalate hydrochloride." [PSI:XL] property_value: reactionSites: "2" xsd:nonNegativeInteger property_value: spacerLength: "7.9" xsd:float is_a: XLMOD:00006 ! heterofunctional cross-linker relationship: has_reactive_group XLMOD:00106 ! maleimide relationship: has_reactive_group XLMOD:00110 ! hydrazide [Term] id: XLMOD:02187 name: Sulfo-KMUS def: "N-(kappa-maleimidoundecanoyloxy)sulfosuccinimide ester." [CAS:220935-13-7, PubChem_Compound:5066232, ChemSpiderID:4243138, ChemicalBookNo:CB2774516] property_value: reactionSites: "2" xsd:nonNegativeInteger property_value: spacerLength: "19.5" xsd:float is_a: XLMOD:00006 ! heterofunctional cross-linker relationship: has_reactive_group XLMOD:00102 ! Sulfo NHS ester relationship: has_reactive_group XLMOD:00106 ! maleimide [Term] id: XLMOD:02188 name: THPP def: "beta-(tris[hydroxymethyl]phosphine)propionic acid." [CAS:15931-64-3, PubChem_Compound:4095799, ChemSpiderID:3310006, ChemicalBookNo:CB2497718] property_value: reactionSites: "2" xsd:nonNegativeInteger property_value: spacerLength: "3.03" xsd:float is_a: XLMOD:00006 ! heterofunctional cross-linker relationship: has_reactive_group XLMOD:00138 ! carboxyl relationship: has_reactive_group XLMOD:00139 ! hydroxymethyl phosphine [Term] id: XLMOD:02189 name: EMCA def: "N-epsilon-Maleimidocaproic acid." [CAS:55750-53-3, PubChem_Compound:573683, ChemSpiderID:2006116, ChemicalBookNo:CB6300928] property_value: reactionSites: "2" xsd:nonNegativeInteger property_value: spacerLength: "9.4" xsd:float is_a: XLMOD:00006 ! heterofunctional cross-linker relationship: has_reactive_group XLMOD:00106 ! maleimide relationship: has_reactive_group XLMOD:00138 ! carboxyl [Term] id: XLMOD:02190 name: HBVS def: "1,6-Hexane-bis-vinylsulfone." [ChemicalBookNo:CB02711432, MDL:MFCD01866933] property_value: reactionSites: "2" xsd:nonNegativeInteger property_value: spacerLength: "14.7" xsd:float is_a: XLMOD:00005 ! homofunctional cross-linker relationship: has_reactive_group XLMOD:00140 ! vinyl sulfone [Term] id: XLMOD:02191 name: KMUA def: "N-kappa-Maleimidoundecanoic acid." [CAS:57079-01-3, PubChem_Compound:4618600, ChemSpiderID:3809539, ChemicalBookNo:CB41175477] property_value: reactionSites: "2" xsd:nonNegativeInteger property_value: spacerLength: "15.7" xsd:float is_a: XLMOD:00006 ! heterofunctional cross-linker relationship: has_reactive_group XLMOD:00106 ! maleimide relationship: has_reactive_group XLMOD:00138 ! carboxyl [Term] id: XLMOD:02192 name: KMUH def: "N-(kappa-Maleimidoundecanoic acid)hydrazide." [CAS:359436-62-7, PubChem_Compound:4438236, ChemSpiderID:3637842, ChemicalBookNo:CB71175478] property_value: reactionSites: "2" xsd:nonNegativeInteger property_value: spacerLength: "19.0" xsd:float is_a: XLMOD:00006 ! heterofunctional cross-linker relationship: has_reactive_group XLMOD:00106 ! maleimide relationship: has_reactive_group XLMOD:00110 ! hydrazide relationship: is_cleavable XLMOD:00041 ! thiol cleavable [Term] id: XLMOD:02193 name: MPBH def: "4-(4-N-Maleimidophenyl)butyric acid hydrazide-HCl." [PubChem_Compound:9904748, ChemSpiderID:8080402, ChemicalBookNo:CB0734136] property_value: reactionSites: "2" xsd:nonNegativeInteger property_value: spacerLength: "17.9" xsd:float is_a: XLMOD:00006 ! heterofunctional cross-linker relationship: has_reactive_group XLMOD:00106 ! maleimide relationship: has_reactive_group XLMOD:00110 ! hydrazide relationship: is_cleavable XLMOD:00041 ! thiol cleavable [Term] id: XLMOD:02194 name: SANH def: "Succinimidyl-2-(m-azido-o-nitrobenzamido)ethyl 1,3'-dithiopropionate." [ChemSpiderID:32034301, ChemicalBookNo:CB8354354] property_value: reactionSites: "2" xsd:nonNegativeInteger property_value: spacerLength: "6.7" xsd:float is_a: XLMOD:00006 ! heterofunctional cross-linker relationship: has_reactive_group XLMOD:00101 ! NHS ester relationship: has_reactive_group XLMOD:00143 ! hydrazone [Term] id: XLMOD:02195 name: SAND-PR def: "Sulfosuccinimidyl-2-(m-azido-o-nitrobenzamido)ethyl 1,3'-dithiopropionate." [CAS:112820-42-5, MDL:MFCD02091654, ChemSpiderID:115619, ChemicalBookNo:CB71367710] property_value: reactionSites: "2" xsd:nonNegativeInteger property_value: spacerLength: "6.7" xsd:float is_a: XLMOD:00006 ! heterofunctional cross-linker relationship: has_reactive_group XLMOD:00102 ! Sulfo NHS ester relationship: has_reactive_group XLMOD:00143 ! hydrazone [Term] id: XLMOD:02196 name: Sulfo-SAPD def: "Sulfosuccinimidyl 2-(4-azidosalicylamido) ethyl-1,3-dithioproprioonate." [ChemicalBookNo:CB5476059] property_value: reactionSites: "2" xsd:nonNegativeInteger is_a: XLMOD:00006 ! heterofunctional cross-linker relationship: has_reactive_group XLMOD:00102 ! Sulfo NHS ester relationship: has_reactive_group XLMOD:00125 ! hydroxyphenyl azide [Term] id: XLMOD:02197 name: SAPD def: "Succinimidyl 2-(4-azidosalicylamido) ethyl-1,3-dithioproprioonate." [ChemicalBookNo:CB5476059] property_value: reactionSites: "2" xsd:nonNegativeInteger is_a: XLMOD:00006 ! heterofunctional cross-linker relationship: has_reactive_group XLMOD:00101 ! NHS ester relationship: has_reactive_group XLMOD:00125 ! hydroxyphenyl azide [Term] id: XLMOD:02198 name: BS(PEG)5 def: "Bis(sulfosuccinimidyl)suberate pentaethyleneglycol." [CAS:756526-03-1, PubChem_Compound:51340935, ChemSpiderID:28604877, ChemicalBookNo:CB12663893] synonym: "NHS-PEG5-NHS" EXACT [] property_value: bridgeFormula: "C14 H22 O7" xsd:string property_value: hydrophilicPEGchain: "5" xsd:nonNegativeInteger property_value: monoIsotopicMass: "302.13655" xsd:double property_value: reactionSites: "2" xsd:nonNegativeInteger property_value: spacerLength: "21.7" xsd:float is_a: XLMOD:00005 ! homofunctional cross-linker relationship: has_property XLMOD:00014 ! hydrophilic relationship: has_reactive_group XLMOD:00102 ! Sulfo NHS ester [Term] id: XLMOD:02199 name: BS(PEG)9 def: "Bis(sulfosuccinimidyl)suberate nonaethyleneglycol." [CAS:1008402-79-6, PubChem_Compound:77078480, ChemSpiderID:29354490, ChemicalBookNo:CB32546994] synonym: "NHS-PEG9-NHS" EXACT [] property_value: hydrophilicPEGchain: "9" xsd:nonNegativeInteger property_value: reactionSites: "2" xsd:nonNegativeInteger property_value: spacerLength: "35.8" xsd:float is_a: XLMOD:00005 ! homofunctional cross-linker relationship: has_property XLMOD:00014 ! hydrophilic relationship: has_reactive_group XLMOD:00102 ! Sulfo NHS ester [Term] id: XLMOD:02200 name: NHS-azide def: "N-hydroxysuccinimide ester ethane azide." [PSI:XL] synonym: "Azido-NHS ester" EXACT [] property_value: reactionSites: "2" xsd:nonNegativeInteger property_value: spacerLength: "2.5" xsd:float is_a: XLMOD:00006 ! heterofunctional cross-linker relationship: has_property XLMOD:00014 ! hydrophilic relationship: has_reactive_group XLMOD:00101 ! NHS ester relationship: has_reactive_group XLMOD:00055 ! azide [Term] id: XLMOD:02201 name: NHS-PEG4-azide def: "N-hydroxysuccinimide ester tetraoxapentadecane azide." [CAS:944251-24-5, PubChem_Compound:51340931, ChemSpiderID:28604876, ChemicalBookNo:CB72663895] synonym: "Azido-PEG4-NHS ester" EXACT [] property_value: hydrophilicPEGchain: "4" xsd:nonNegativeInteger property_value: reactionSites: "2" xsd:nonNegativeInteger property_value: spacerLength: "18.9" xsd:float is_a: XLMOD:00006 ! heterofunctional cross-linker relationship: has_property XLMOD:00014 ! hydrophilic relationship: has_reactive_group XLMOD:00101 ! NHS ester relationship: has_reactive_group XLMOD:00055 ! azide [Term] id: XLMOD:02202 name: NHS-PEG12-azide def: "N-hydroxysuccinimide ester dodecaoxanonatriacontane azide." [CAS:1610796-02-5, PubChem_Compound:51340930, ChemSpiderID:29354441, ChemicalBookNo:CB63062337] synonym: "Azido-PEG12-NHS ester" EXACT [] property_value: hydrophilicPEGchain: "12" xsd:nonNegativeInteger property_value: reactionSites: "2" xsd:nonNegativeInteger property_value: spacerLength: "47.3" xsd:float is_a: XLMOD:00006 ! heterofunctional cross-linker relationship: has_property XLMOD:00014 ! hydrophilic relationship: has_reactive_group XLMOD:00101 ! NHS ester relationship: has_reactive_group XLMOD:00055 ! azide [Term] id: XLMOD:02203 name: SPDP-PEG4-NHS ester def: "2-pyridyldithiol-tetraoxatetradecane-N-hydroxysuccinimide." [CAS:1334177-95-5, PubChem_Compound:77078429, ChemSpiderID:29354407, ChemicalBookNo:CB83163140] synonym: "PEG4-SPDP" EXACT [] property_value: hydrophilicPEGchain: "4" xsd:nonNegativeInteger property_value: reactionSites: "2" xsd:nonNegativeInteger property_value: spacerLength: "25.7" xsd:float is_a: XLMOD:00006 ! heterofunctional cross-linker relationship: has_property XLMOD:00014 ! hydrophilic relationship: has_reactive_group XLMOD:00101 ! NHS ester relationship: has_reactive_group XLMOD:00109 ! pyridinyldisulfide [Term] id: XLMOD:02204 name: SPDP-PEG12-NHS ester def: "2-pyridyldithiol-tetraoxaoctatriacontane-N-hydroxysuccinimide." [PubChem_Compound:51341026, ChemicalBookNo:CB53163134] synonym: "PEG12-SPDP" EXACT [] property_value: hydrophilicPEGchain: "12" xsd:nonNegativeInteger property_value: reactionSites: "2" xsd:nonNegativeInteger property_value: spacerLength: "54.1" xsd:float is_a: XLMOD:00006 ! heterofunctional cross-linker relationship: has_property XLMOD:00014 ! hydrophilic relationship: has_reactive_group XLMOD:00101 ! NHS ester relationship: has_reactive_group XLMOD:00109 ! pyridinyldisulfide [Term] id: XLMOD:02205 name: BPM def: "4-(N-Maleimido)benzophenone." [CAS:92944-71-3, PubChem_Compound:24897368, MDL:MFCD00079465, ChemSpiderID:129121, ChemicalBookNo:CB6293028] synonym: "Benzophenone-4-maleimide" EXACT [] property_value: reactionSites: "2" xsd:nonNegativeInteger is_a: XLMOD:00006 ! heterofunctional cross-linker relationship: has_reactive_group XLMOD:00106 ! maleimide relationship: has_reactive_group XLMOD:00119 ! benzophenone [Term] id: XLMOD:02206 name: TPAL def: "1,4-Phthalaldehyde." [CAS:623-27-8, PubChem_Compound:12173, ChemSpiderID:11673, ChemicalBookNo:CB1425781] property_value: bridgeFormula: "C8 H6" xsd:string property_value: monoIsotopicMass: "102.04695021" xsd:double property_value: reactionSites: "2" xsd:nonNegativeInteger is_a: XLMOD:00005 ! homofunctional cross-linker relationship: has_reactive_group XLMOD:00141 ! carbonyl [Term] id: XLMOD:02207 name: DEB def: "Diformyl-5-ethynylbenzene." [ChemSpiderID:26667536] synonym: "4-Ethynylphthalaldehyde" EXACT [] property_value: bridgeFormula: "C10 H6" xsd:string property_value: monoIsotopicMass: "126.04695021" xsd:double property_value: reactionSites: "2" xsd:nonNegativeInteger is_a: XLMOD:00005 ! homofunctional cross-linker relationship: has_reactive_group XLMOD:00141 ! carbonyl [Term] id: XLMOD:02208 name: DMTMM def: "4-(4,6-Dimethoxy-1,3,5-triazin-2-yl)-4-methylmorpholinium chloride." [CAS:3945-69-5, PubChem_Compound:2734059, ChemSpiderID:2015817, ChemicalBookNo:CB5695021, PMID:24938783] property_value: reactionSites: "2" xsd:nonNegativeInteger is_a: XLMOD:00005 ! homofunctional cross-linker relationship: has_reactive_group XLMOD:00146 ! dimethylether [Term] id: XLMOD:02209 name: PDH def: "Pimelic acid dihydrazide." [CAS:13043-98-6, PubChem_Compound:284646, ChemSpiderID:250842, ChemicalBookNo:CB9261011] synonym: "Heptanedihydrazide" EXACT [] property_value: bridgeFormula: "C7 H12 N4" xsd:string property_value: monoIsotopicMass: "152.10619642" xsd:double property_value: reactionSites: "2" xsd:nonNegativeInteger is_a: XLMOD:00005 ! homofunctional cross-linker relationship: has_reactive_group XLMOD:00110 ! hydrazide [Term] id: XLMOD:02210 name: PDH-d10 def: "Deuterium labelled pimelic acid dihydrazide." [PSI:XL] property_value: bridgeFormula: "C7 D10 H2 N4" xsd:string property_value: doubletDeltaMass: "10.06276744" xsd:double property_value: monoIsotopicMass: "162.16896386" xsd:double property_value: reactionSites: "2" xsd:nonNegativeInteger is_a: XLMOD:00005 ! homofunctional cross-linker relationship: has_reactive_group XLMOD:00110 ! hydrazide relationship: is_labelled XLMOD:00010 ! deuterium labelled [Term] id: XLMOD:02211 name: ABAS def: "Azidobenzoic acid succinimide." [CAS:53053-08-0, PubChem_Compound:122153, ChemSpiderID:108951, ChemicalBookNo:CB5187007, PMID:25192908] property_value: reactionSites: "2" xsd:nonNegativeInteger property_value: spacerLength: "7.0" xsd:float is_a: XLMOD:00006 ! heterofunctional cross-linker relationship: has_reactive_group XLMOD:00101 ! NHS ester relationship: has_reactive_group XLMOD:00055 ! azide [Term] id: XLMOD:02212 name: ABAS-13C6 def: "13C labelled azidobenzoic acid succinimide." [PMID:25192908] property_value: doubletDeltaMass: "6.02016" xsd:double property_value: reactionSites: "2" xsd:nonNegativeInteger property_value: spacerLength: "7.0" xsd:float is_a: XLMOD:00006 ! heterofunctional cross-linker relationship: has_reactive_group XLMOD:00101 ! NHS ester relationship: has_reactive_group XLMOD:00055 ! azide relationship: is_labelled XLMOD:00036 ! 13C labelled [Term] id: XLMOD:02213 name: CBS def: "Carboxy-benzophenone-succinimide." [PMID:25192908] property_value: reactionSites: "2" xsd:nonNegativeInteger property_value: spacerLength: "7.0" xsd:float is_a: XLMOD:00006 ! heterofunctional cross-linker relationship: has_reactive_group XLMOD:00101 ! NHS ester relationship: has_reactive_group XLMOD:00119 ! benzophenone [Term] id: XLMOD:02214 name: CBS-13C6 def: "13C labelled carboxy-benzophenone-succinimide." [PMID:25192908] property_value: doubletDeltaMass: "6.02016" xsd:double property_value: reactionSites: "2" xsd:nonNegativeInteger property_value: spacerLength: "7.0" xsd:float is_a: XLMOD:00006 ! heterofunctional cross-linker relationship: has_reactive_group XLMOD:00101 ! NHS ester relationship: has_reactive_group XLMOD:00119 ! benzophenone relationship: is_labelled XLMOD:00036 ! 13C labelled [Term] id: XLMOD:02215 name: SDA-13C5 def: "13C labelled succinimidyl-ester diazirine." [PMID:25192908] property_value: bridgeFormula: "13C5 H6 O1" xsd:string property_value: doubletDeltaMass: "5.0168" xsd:double property_value: monoIsotopicMass: "87.05866484" xsd:double property_value: reactionSites: "2" xsd:nonNegativeInteger property_value: spacerLength: "5.0" xsd:float is_a: XLMOD:00006 ! heterofunctional cross-linker relationship: has_reactive_group XLMOD:00101 ! NHS ester relationship: has_reactive_group XLMOD:00103 ! diazirine relationship: is_labelled XLMOD:00036 ! 13C labelled [Term] id: XLMOD:02216 name: DMDSSO def: "Dimethyl disuccinimidyl sulfoxide." [PMID:24471733, PMID:27417384] synonym: "DMDSSO-d0" EXACT [] property_value: reactionSites: "2" xsd:nonNegativeInteger is_a: XLMOD:00006 ! heterofunctional cross-linker relationship: has_reactive_group XLMOD:00101 ! NHS ester relationship: is_cleavable XLMOD:00067 ! CID cleavable C-S bond [Term] id: XLMOD:02217 name: DMDSSO-d10 def: "Deuterium labelled dimethyl disuccinimidyl sulfoxide." [PMID:24471733] property_value: doubletDeltaMass: "10.06276744" xsd:double property_value: reactionSites: "2" xsd:nonNegativeInteger is_a: XLMOD:00006 ! heterofunctional cross-linker relationship: has_reactive_group XLMOD:00101 ! NHS ester relationship: is_labelled XLMOD:00010 ! deuterium labelled relationship: is_cleavable XLMOD:00067 ! CID cleavable C-S bond [Term] id: XLMOD:02218 name: ICATXL1 def: "N-biotinyl-N'-[3,5-Bis-(N-succinimidyloxycarbonyl-methoxy)-benzoyl]-ethane-1,2-diamine." [PMID:16895390] property_value: reactionSites: "2" xsd:nonNegativeInteger is_a: XLMOD:00005 ! homofunctional cross-linker relationship: has_handle XLMOD:00051 ! biotin relationship: has_reactive_group XLMOD:00101 ! NHS ester [Term] id: XLMOD:02219 name: ICATXL2 def: "S-S-biotinyl-N'-[3,5-Bis-(N-succinimidyloxycarbonyl-methoxy)-benzoyl]-ethane-1,2-diamine." [PMID:16895390] property_value: reactionSites: "2" xsd:nonNegativeInteger is_a: XLMOD:00005 ! homofunctional cross-linker relationship: has_handle XLMOD:00051 ! biotin relationship: has_reactive_group XLMOD:00101 ! NHS ester relationship: is_cleavable XLMOD:00023 ! cleavable S-S bond [Term] id: XLMOD:02220 name: SSTN def: "Succinic acid succinimidyl ester 5-thioyloxy-2-nitrobenzyl ester." [PMID:15366956] property_value: reactionSites: "2" xsd:nonNegativeInteger is_a: XLMOD:00006 ! heterofunctional cross-linker relationship: has_reactive_group XLMOD:00101 ! NHS ester relationship: has_reactive_group XLMOD:00148 ! nitrobenzylester [Term] id: XLMOD:02221 name: SCNE def: "Di 6-(3-succinimidyl carbonyloxymethyl-4-nitro-phenoxy)-hexanoic acid disulfide diethanol ester." [PMID:22432929] property_value: reactionSites: "2" xsd:nonNegativeInteger is_a: XLMOD:00005 ! homofunctional cross-linker relationship: has_handle XLMOD:00051 ! biotin relationship: has_reactive_group XLMOD:00101 ! NHS ester relationship: is_cleavable XLMOD:00023 ! cleavable S-S bond relationship: is_cleavable XLMOD:00147 ! photocleavable [Term] id: XLMOD:02222 name: azide-A-DSBSO def: "Azide-tagged acid-cleavable disuccinimidyl-bissulfoxide." [PMID:25823605, PMID:27417384, PMID:25253489] property_value: reactionSites: "2" xsd:nonNegativeInteger is_a: XLMOD:00005 ! homofunctional cross-linker relationship: has_handle XLMOD:00055 ! azide relationship: has_reactive_group XLMOD:00101 ! NHS ester relationship: is_cleavable XLMOD:00018 ! cleavable by MS2 labile bond relationship: is_cleavable XLMOD:00066 ! acid cleavable relationship: is_cleavable XLMOD:00067 ! CID cleavable C-S bond [Term] id: XLMOD:02223 name: alkyne-A-DSBSO def: "Alkyne-tagged acid-cleavable disuccinimidyl-bissulfoxide." [PMID:25823605] property_value: reactionSites: "2" xsd:nonNegativeInteger is_a: XLMOD:00005 ! homofunctional cross-linker relationship: has_handle XLMOD:00053 ! alkyne relationship: has_reactive_group XLMOD:00101 ! NHS ester relationship: is_cleavable XLMOD:00066 ! acid cleavable relationship: is_cleavable XLMOD:00067 ! CID cleavable C-S bond [Term] id: XLMOD:02224 name: IML 3 def: "Identical mass linker 3." [PMID:26269432] property_value: reactionSites: "2" xsd:nonNegativeInteger is_a: XLMOD:00005 ! homofunctional cross-linker relationship: has_reactive_group XLMOD:00101 ! NHS ester relationship: is_cleavable XLMOD:00035 ! CID cleavable [Term] id: XLMOD:02225 name: SuVP def: "Disuccinimidyl-succinamyl-valyl-proline." [PMID:26091612, PMID:20560670] property_value: reactionSites: "2" xsd:nonNegativeInteger property_value: spacerLength: "11.2" xsd:float is_a: XLMOD:00005 ! homofunctional cross-linker relationship: has_reactive_group XLMOD:00101 ! NHS ester relationship: is_cleavable XLMOD:00035 ! CID cleavable [Term] id: XLMOD:02226 name: DHSO def: "Dihydrazide sulfoxide." [PMID:27417384] synonym: "3,3'-sulfinyldi(propanehydrazide)" EXACT [] property_value: reactionSites: "2" xsd:nonNegativeInteger property_value: spacerLength: "12.4" xsd:float is_a: XLMOD:00005 ! homofunctional cross-linker relationship: has_reactive_group XLMOD:00110 ! hydrazide relationship: is_cleavable XLMOD:00067 ! CID cleavable C-S bond [Term] id: XLMOD:02227 name: PL def: "Photo-cleavable Leiker." [PMID:26952210, PMID:27734140] property_value: CID_Fragment: "122.06" xsd:double property_value: monoIsotopicMass: "316.14" xsd:double property_value: reactionSites: "2" xsd:nonNegativeInteger is_a: XLMOD:00005 ! homofunctional cross-linker relationship: has_handle XLMOD:00051 ! biotin relationship: has_reactive_group XLMOD:00101 ! NHS ester relationship: is_cleavable XLMOD:00147 ! photocleavable [Term] id: XLMOD:02228 name: PEG-PL def: "Polyethylene glycol photo-cleavable Leiker." [PMID:26952210] property_value: reactionSites: "2" xsd:nonNegativeInteger is_a: XLMOD:00005 ! homofunctional cross-linker relationship: has_reactive_group XLMOD:00101 ! NHS ester relationship: is_cleavable XLMOD:00147 ! photocleavable [Term] id: XLMOD:02229 name: Sulfo-PL def: "Sulfo-photo-cleavable Leiker." [PMID:26952210] property_value: reactionSites: "2" xsd:nonNegativeInteger is_a: XLMOD:00005 ! homofunctional cross-linker relationship: has_reactive_group XLMOD:00102 ! Sulfo NHS ester relationship: is_cleavable XLMOD:00147 ! photocleavable [Term] id: XLMOD:02230 name: bAL1 def: "Biotinylated azo-Leiker 1 with an azobenzene-based chemical cleavage site." [PMID:26952210] property_value: reactionSites: "2" xsd:nonNegativeInteger property_value: spacerLength: "9.3" xsd:float is_a: XLMOD:00005 ! homofunctional cross-linker relationship: has_handle XLMOD:00051 ! biotin relationship: has_reactive_group XLMOD:00102 ! Sulfo NHS ester relationship: is_cleavable XLMOD:00017 ! chemically cleavable [Term] id: XLMOD:02231 name: bAL2 def: "Biotinylated azo-Leiker 2 with an azobenzene-based chemical cleavage site." [PMID:26952210] property_value: reactionSites: "2" xsd:nonNegativeInteger property_value: spacerLength: "9.3" xsd:float is_a: XLMOD:00005 ! homofunctional cross-linker relationship: has_handle XLMOD:00051 ! biotin relationship: has_reactive_group XLMOD:00102 ! Sulfo NHS ester relationship: is_cleavable XLMOD:00017 ! chemically cleavable [Term] id: XLMOD:02232 name: bAL2-d6 def: "Deuterium labelled biotinylated azo-Leiker 2 with an azobenzene-based chemical cleavage site." [PMID:26952210] property_value: reactionSites: "2" xsd:nonNegativeInteger property_value: spacerLength: "9.3" xsd:float is_a: XLMOD:00005 ! homofunctional cross-linker relationship: has_handle XLMOD:00051 ! biotin relationship: has_reactive_group XLMOD:00102 ! Sulfo NHS ester relationship: is_cleavable XLMOD:00017 ! chemically cleavable relationship: is_labelled XLMOD:00010 ! deuterium labelled [Term] id: XLMOD:02233 name: BS3-18O2 def: "18O labelled (bis(sulfosuccinimidyl) 2,2,7,7-suberate)." [PMID:14592499] property_value: reactionSites: "2" xsd:nonNegativeInteger property_value: spacerLength: "11.4" xsd:float is_a: XLMOD:00005 ! homofunctional cross-linker relationship: has_reactive_group XLMOD:00102 ! Sulfo NHS ester relationship: is_labelled XLMOD:00069 ! 18O labelled [Term] id: XLMOD:02234 name: PIR-I def: "Protein Interaction Reporter-I." [PMID:17269728] property_value: bridgeFormula: "C6 H10 O2 N1" xsd:string property_value: hydrophilicPEGchain: "3" xsd:nonNegativeInteger property_value: monoIsotopicMass: "128.0712" xsd:double property_value: reactionSites: "2" xsd:nonNegativeInteger property_value: reporterMass: "555.2481" xsd:double is_a: XLMOD:00005 ! homofunctional cross-linker relationship: has_handle XLMOD:00051 ! biotin relationship: has_property XLMOD:00013 ! membrane permeable relationship: has_reactive_group XLMOD:00101 ! NHS ester relationship: is_cleavable XLMOD:00035 ! CID cleavable [Term] id: XLMOD:02235 name: PIR-II def: "Protein Interaction Reporter-II." [PMID:17269728] property_value: bridgeFormula: "C4 H6 O2 N1" xsd:string property_value: hydrophilicPEGchain: "3" xsd:nonNegativeInteger property_value: monoIsotopicMass: "100.0399" xsd:double property_value: reactionSites: "2" xsd:nonNegativeInteger property_value: reporterMass: "1324.5937" xsd:double is_a: XLMOD:00005 ! homofunctional cross-linker relationship: has_handle XLMOD:00051 ! biotin relationship: has_property XLMOD:00013 ! membrane permeable relationship: has_reactive_group XLMOD:00101 ! NHS ester relationship: is_cleavable XLMOD:00035 ! CID cleavable [Term] id: XLMOD:02236 name: PIR-III def: "Protein Interaction Reporter-III." [PMID:17269728] property_value: bridgeFormula: "C4 H6 O2 N1" xsd:string property_value: hydrophilicPEGchain: "3" xsd:nonNegativeInteger property_value: monoIsotopicMass: "100.0399" xsd:double property_value: reactionSites: "2" xsd:nonNegativeInteger property_value: reporterMass: "1604.6996" xsd:double is_a: XLMOD:00005 ! homofunctional cross-linker relationship: has_handle XLMOD:00051 ! biotin relationship: has_property XLMOD:00013 ! membrane permeable relationship: has_reactive_group XLMOD:00101 ! NHS ester relationship: is_cleavable XLMOD:00034 ! photo cleavable relationship: is_cleavable XLMOD:00035 ! CID cleavable [Term] id: XLMOD:02237 name: PIR def: "Protein Interaction Reporter." [PMID:15623310] property_value: CID_Fragment: "711.4" xsd:double property_value: reactionSites: "2" xsd:nonNegativeInteger is_a: XLMOD:00005 ! homofunctional cross-linker relationship: has_property XLMOD:00013 ! membrane permeable relationship: has_reactive_group XLMOD:00101 ! NHS ester relationship: is_cleavable XLMOD:00035 ! CID cleavable [Term] id: XLMOD:02238 name: pcPIR def: "Photo-cleavable Protein Interaction Reporter." [PMID:20373789] property_value: CID_Fragment: "711.4" xsd:double property_value: reactionSites: "2" xsd:nonNegativeInteger property_value: spacerLength: "40.0" xsd:float is_a: XLMOD:00005 ! homofunctional cross-linker relationship: has_handle XLMOD:00051 ! biotin relationship: has_property XLMOD:00013 ! membrane permeable relationship: has_reactive_group XLMOD:00101 ! NHS ester relationship: is_cleavable XLMOD:00034 ! photo cleavable relationship: is_cleavable XLMOD:00035 ! CID cleavable [Term] id: XLMOD:02239 name: PEG5-Biotin-Dimer def: "PEG5-Biotin-Dimer for crosslinking avidin molecules." [PSI:XL] property_value: hydrophilicPEGchain: "5" xsd:nonNegativeInteger property_value: reactionSites: "2" xsd:nonNegativeInteger property_value: spacerLength: "43.4" xsd:float is_a: XLMOD:00005 ! homofunctional cross-linker relationship: has_property XLMOD:00014 ! hydrophilic relationship: has_reactive_group XLMOD:00118 ! tetrafluorophenyl azide [Term] id: XLMOD:02240 name: Azido-PEG3-NHS ester def: "1-[(3-{2-[2-(2-Azidoethoxy)ethoxy]ethoxy}propanoyl)oxy]-2,5-pyrrolidinedione." [CAS:1245718-89-1, PubChem_Compound:77078451, ChemSpiderID:29354443, ChemicalBookNo:CB83062351] synonym: "NHS-PEG3-azide" EXACT [] property_value: hydrophilicPEGchain: "3" xsd:nonNegativeInteger property_value: reactionSites: "2" xsd:nonNegativeInteger is_a: XLMOD:00006 ! heterofunctional cross-linker relationship: has_property XLMOD:00014 ! hydrophilic relationship: has_reactive_group XLMOD:00101 ! NHS ester relationship: has_reactive_group XLMOD:00055 ! azide [Term] id: XLMOD:02241 name: Azido-PEG5-NHS ester def: "1-[(1-Azido-18-oxo-3,6,9,12,15-pentaoxaoctadecan-18-yl)oxy]-2,5-pyrrolidinedione." [CAS:1433996-86-1, PubChem_Compound:77078433, ChemSpiderID:29354411, ChemicalBookNo:CB23062364] synonym: "NHS-PEG5-azide" EXACT [] property_value: hydrophilicPEGchain: "5" xsd:nonNegativeInteger property_value: reactionSites: "2" xsd:nonNegativeInteger is_a: XLMOD:00006 ! heterofunctional cross-linker relationship: has_property XLMOD:00014 ! hydrophilic relationship: has_reactive_group XLMOD:00101 ! NHS ester relationship: has_reactive_group XLMOD:00055 ! azide [Term] id: XLMOD:02242 name: Azido-PEG6-NHS ester def: "1-[(1-Azido-21-oxo-3,6,9,12,15,18-hexaoxahenicosan-21-yl)oxy]-2,5-pyrrolidinedione." [CAS:2055014-64-5, PubChem_Compound:77078479, ChemSpiderID:29354488, ChemicalBookNo:CB43162882] synonym: "NHS-PEG6-azide" EXACT [] property_value: hydrophilicPEGchain: "6" xsd:nonNegativeInteger property_value: reactionSites: "2" xsd:nonNegativeInteger is_a: XLMOD:00006 ! heterofunctional cross-linker relationship: has_property XLMOD:00014 ! hydrophilic relationship: has_reactive_group XLMOD:00101 ! NHS ester relationship: has_reactive_group XLMOD:00055 ! azide [Term] id: XLMOD:02243 name: Azido-PEG8-NHS ester def: "1-[(1-Azido-27-oxo-3,6,9,12,15,18,21,24-octaoxaheptacosan-27-yl)oxy]-2,5-pyrrolidinedione." [CAS:1204834-00-3, PubChem_Compound:51340932, ChemSpiderID:29354442, ChemicalBookNo:CB53062370] synonym: "NHS-PEG8-azide" EXACT [] property_value: hydrophilicPEGchain: "8" xsd:nonNegativeInteger property_value: reactionSites: "2" xsd:nonNegativeInteger is_a: XLMOD:00006 ! heterofunctional cross-linker relationship: has_property XLMOD:00014 ! hydrophilic relationship: has_reactive_group XLMOD:00101 ! NHS ester relationship: has_reactive_group XLMOD:00055 ! azide [Term] id: XLMOD:02244 name: Azido-PEG10-NHS ester def: "Azido-PEG10-NHS ester." [PubChem_Compound:134159750] synonym: "NHS-PEG10-azide" EXACT [] property_value: hydrophilicPEGchain: "10" xsd:nonNegativeInteger property_value: reactionSites: "2" xsd:nonNegativeInteger is_a: XLMOD:00006 ! heterofunctional cross-linker relationship: has_property XLMOD:00014 ! hydrophilic relationship: has_reactive_group XLMOD:00101 ! NHS ester relationship: has_reactive_group XLMOD:00055 ! azide [Term] id: XLMOD:02245 name: Azido-PEG16-NHS ester def: "Azido-PEG16-NHS ester." [PubChem_Compound:126480441] synonym: "NHS-PEG16-azide" EXACT [] property_value: hydrophilicPEGchain: "16" xsd:nonNegativeInteger property_value: reactionSites: "2" xsd:nonNegativeInteger is_a: XLMOD:00006 ! heterofunctional cross-linker relationship: has_property XLMOD:00014 ! hydrophilic relationship: has_reactive_group XLMOD:00101 ! NHS ester relationship: has_reactive_group XLMOD:00055 ! azide [Term] id: XLMOD:02246 name: Azido-PEG24-NHS ester def: "Azido-PEG24-NHS ester." [PubChem_Compound:126480440] synonym: "NHS-PEG24-azide" EXACT [] property_value: hydrophilicPEGchain: "24" xsd:nonNegativeInteger property_value: reactionSites: "2" xsd:nonNegativeInteger is_a: XLMOD:00006 ! heterofunctional cross-linker relationship: has_property XLMOD:00014 ! hydrophilic relationship: has_reactive_group XLMOD:00101 ! NHS ester relationship: has_reactive_group XLMOD:00055 ! azide [Term] id: XLMOD:02247 name: SPDP-PEG24-NHS ester def: "2,5-Dioxocyclopentyl 77-oxo-79-(2-pyridinyldisulfanyl)-4,7,10,13,16,19,22,25,28,31,34,37,40,43,46,49,52,55,58,61,64,67,70,73-tetracosaoxa-76-azanonaheptacontan-1-oate." [PubChem_Compound:77078309, ChemSpiderID:32055782, ChemicalBookNo:CB13163136] synonym: "PEG24-SPDP" EXACT [] property_value: hydrophilicPEGchain: "24" xsd:nonNegativeInteger property_value: reactionSites: "2" xsd:nonNegativeInteger is_a: XLMOD:00006 ! heterofunctional cross-linker relationship: has_property XLMOD:00014 ! hydrophilic relationship: has_reactive_group XLMOD:00101 ! NHS ester relationship: has_reactive_group XLMOD:00109 ! pyridinyldisulfide [Term] id: XLMOD:02248 name: S-Methyl 5,5'-thiodipentanoylhydroxysuccinimide def: "S-Methyl 5,5'-thiodipentanoylhydroxysuccinimide cross-linker." [PMID:19551991] property_value: reactionSites: "2" xsd:nonNegativeInteger is_a: XLMOD:00005 ! homofunctional cross-linker relationship: has_reactive_group XLMOD:00101 ! NHS ester relationship: is_cleavable XLMOD:00035 ! CID cleavable [Term] id: XLMOD:02249 name: Sulfo-SBP def: "4-(N-Sulfosuccinimidylcarboxy)benzophenone." [CAS:91990-88-4, PMID:28430416] property_value: reactionSites: "2" xsd:nonNegativeInteger property_value: specificities: "(K,S,T,Y,Protein N-term)" xsd:string is_a: XLMOD:00006 ! heterofunctional cross-linker relationship: has_reactive_group XLMOD:00102 ! Sulfo NHS ester relationship: has_reactive_group XLMOD:00119 ! benzophenone [Term] id: XLMOD:02250 name: CBSS def: "Carboxybenzophenonesulfosuccinimide." [PMID:31045356] property_value: reactionSites: "2" xsd:nonNegativeInteger is_a: XLMOD:00006 ! heterofunctional cross-linker relationship: has_reactive_group XLMOD:00102 ! Sulfo NHS ester relationship: has_reactive_group XLMOD:00119 ! benzophenone [Term] id: XLMOD:02251 name: MC4 def: "1,4-bis(4-((2,5-dioxopyrrolidin-1-yl)oxy)-4-oxobutyl)-1,4-diazabicyclo[2.2.2]octane-1,4-diium." [PMID:31045356, PMID:29537042] property_value: reactionSites: "2" xsd:nonNegativeInteger property_value: spacerLength: "13.0" xsd:float is_a: XLMOD:00005 ! homofunctional cross-linker relationship: has_reactive_group XLMOD:00101 ! NHS ester relationship: is_cleavable XLMOD:00035 ! CID cleavable [Term] id: XLMOD:02252 name: PAC4 def: "PAC4 cross-linker." [PMID:29537042] property_value: reactionSites: "2" xsd:nonNegativeInteger property_value: spacerLength: "13.0" xsd:float is_a: XLMOD:00005 ! homofunctional cross-linker relationship: has_reactive_group XLMOD:00101 ! NHS ester relationship: is_cleavable XLMOD:00035 ! CID cleavable [Term] id: XLMOD:03001 name: CBDPS def: "Cyanurbiotindipropionylsuccinimide." [PMID:20622150] property_value: bridgeFormula: "C19 H23 N7 O4 S3" xsd:string property_value: monoIsotopicMass: "509.09682" xsd:double property_value: reactionSites: "3" xsd:nonNegativeInteger property_value: spacerLength: "14.0" xsd:float is_a: XLMOD:00005 ! homofunctional cross-linker relationship: has_handle XLMOD:00051 ! biotin relationship: has_property XLMOD:00014 ! hydrophilic relationship: has_reactive_group XLMOD:00101 ! NHS ester relationship: is_cleavable XLMOD:00035 ! CID cleavable [Term] id: XLMOD:03002 name: Sulfo-SBED def: "Sulfo-SBED cross-linker." [PubChem_Compound:101089650, ChemicalBookNo:CB2771737, PMID:15144972, PMID:16246579, PMID:15144972] synonym: "Sulfo-N-hydroxysuccinimidyl-2-(6-[biotinamido]-2-(p-azido benzamido)-hexanoamido) ethyl-1,3'-dithioproprionate" EXACT [] property_value: monoIsotopicMass: "634.207" xsd:double property_value: reactionSites: "3" xsd:nonNegativeInteger property_value: spacerLength: "9.1" xsd:float property_value: spacerLength: "13.7" xsd:float property_value: spacerLength: "19.1" xsd:float is_a: XLMOD:00003 ! label transfer reagent relationship: has_handle XLMOD:00051 ! biotin relationship: has_reactive_group XLMOD:00102 ! Sulfo NHS ester relationship: has_reactive_group XLMOD:00126 ! phenyl azide relationship: is_cleavable XLMOD:00023 ! cleavable S-S bond [Term] id: XLMOD:03003 name: Mts-Atf-Biotin def: "2-[N2-(4-Azido-2,3,5,6-tetrafluorobenzoyl)-N6-(6-biotinamidocaproyl)-L-lysinyl]ethylmethanethiosulfate." [CAS:1356383-18-0, PubChem_Compound:57370043, ChemSpiderID:48058836, ChemicalBookNo:CB4994943] synonym: "tetrafluorobenzoyl-biotinamidocaproyl-methanethiosulfonate" EXACT [] property_value: reactionSites: "3" xsd:nonNegativeInteger property_value: spacerLength: "11.1" xsd:float property_value: spacerLength: "29.3" xsd:float property_value: spacerLength: "30.7" xsd:float is_a: XLMOD:00003 ! label transfer reagent relationship: has_handle XLMOD:00051 ! biotin relationship: has_reactive_group XLMOD:00118 ! tetrafluorophenyl azide relationship: has_reactive_group XLMOD:00121 ! methanethiosulfonate relationship: is_cleavable XLMOD:00023 ! cleavable S-S bond [Term] id: XLMOD:03004 name: Mts-Atf-LC-Biotin def: "2-{N2-[N6-(4-Azido-2,3,5,6-tetrafluorobenzoyl)-N6-(6-biotinamidocaproyl)-L-lysinyl]}ethylmethanethiosulfate." [PSI:XL] synonym: "Mts-Atf-Long Chain-Biotin" EXACT [] property_value: reactionSites: "3" xsd:nonNegativeInteger property_value: spacerLength: "11.1" xsd:float property_value: spacerLength: "29.3" xsd:float property_value: spacerLength: "30.7" xsd:float is_a: XLMOD:00003 ! label transfer reagent relationship: has_handle XLMOD:00051 ! biotin relationship: has_reactive_group XLMOD:00118 ! tetrafluorophenyl azide relationship: has_reactive_group XLMOD:00121 ! methanethiosulfonate [Term] id: XLMOD:03005 name: TSAT def: "Tris-succinimidyl aminotriacetate." [CAS:401514-72-5, PubChem_Compound:4150925, MDL:MFCD02258953, ChemSpiderID:3363127, ChemicalBookNo:CB8454500] property_value: reactionSites: "3" xsd:nonNegativeInteger property_value: spacerLength: "4.2" xsd:float is_a: XLMOD:00005 ! homofunctional cross-linker relationship: has_reactive_group XLMOD:00101 ! NHS ester [Term] id: XLMOD:03006 name: SBED def: "SBED cross-linker." [PSI:XL] synonym: "N-hydroxysuccinimidyl-2-(6-[biotinamido]-2-(p-azido benzamido)-hexanoamido) ethyl-1,3'-dithioproprionate" EXACT [] property_value: reactionSites: "3" xsd:nonNegativeInteger property_value: spacerLength: "9.1" xsd:float property_value: spacerLength: "13.7" xsd:float property_value: spacerLength: "19.1" xsd:float is_a: XLMOD:00003 ! label transfer reagent relationship: has_handle XLMOD:00051 ! biotin relationship: has_reactive_group XLMOD:00101 ! NHS ester relationship: has_reactive_group XLMOD:00126 ! phenyl azide relationship: is_cleavable XLMOD:00023 ! cleavable S-S bond [Term] id: XLMOD:03007 name: TMEA def: "Tris-(2-maleimidoethyl)amine." [CAS:139112-38-2, PubChem_Compound:9977418, MDL:MFCD01868689, ChemSpiderID:8153010, ChemicalBookNo:CB8193391] property_value: reactionSites: "3" xsd:nonNegativeInteger property_value: spacerLength: "10.3" xsd:float is_a: XLMOD:00006 ! heterofunctional cross-linker relationship: has_reactive_group XLMOD:00106 ! maleimide [Term] id: XLMOD:03008 name: TRICEPS def: "TRICEPS cross-linker." [PubChem_Compound:72663594, PMID:23051814] property_value: reactionSites: "3" xsd:nonNegativeInteger is_a: XLMOD:00006 ! heterofunctional cross-linker relationship: has_handle XLMOD:00051 ! biotin relationship: has_reactive_group XLMOD:00101 ! NHS ester relationship: has_reactive_group XLMOD:00143 ! hydrazone relationship: is_cleavable XLMOD:00024 ! periodate cleavable [Term] id: XLMOD:03009 name: NNP9 def: "NNP9 cross-linker." [PMID:25522193] property_value: bridgeFormula: "C7 D10 H2 N4" xsd:string property_value: monoIsotopicMass: "314.1127" xsd:double property_value: reactionSites: "3" xsd:nonNegativeInteger property_value: spacerLength: "10.0" xsd:float is_a: XLMOD:00005 ! homofunctional cross-linker relationship: has_reactive_group XLMOD:00101 ! NHS ester relationship: has_reactive_group XLMOD:00055 ! azide [Term] id: XLMOD:03010 name: TATA def: "2,4,6-triazido-1,3,5-triazine." [CAS:5637-83-2, PubChem_Compound:21857, ChemSpiderID:20543, ChemicalBookNo:CB82442831, PMID:26931439] synonym: "Cyanuric triazide" EXACT [] property_value: monoIsotopicMass: "200.05" xsd:double property_value: reactionSites: "3" xsd:nonNegativeInteger property_value: spacerLength: "5.0" xsd:float is_a: XLMOD:00005 ! homofunctional cross-linker relationship: has_reactive_group XLMOD:00055 ! azide [Term] id: XLMOD:03011 name: TATA-13C6 def: "13C labelled 2,4,6-triazido-1,3,5-triazine." [PMID:26931439] property_value: doubletDeltaMass: "6.02016" xsd:double property_value: monoIsotopicMass: "206.07016" xsd:double property_value: reactionSites: "3" xsd:nonNegativeInteger property_value: spacerLength: "5.0" xsd:float is_a: XLMOD:00005 ! homofunctional cross-linker relationship: has_reactive_group XLMOD:00055 ! azide relationship: is_labelled XLMOD:00036 ! 13C labelled [Term] id: XLMOD:03012 name: MRN def: "MRN cross-linker." [PMID:18303833] property_value: reactionSites: "3" xsd:nonNegativeInteger property_value: spacerLength: "6.4" xsd:float property_value: spacerLength: "11.4" xsd:float property_value: spacerLength: "40.0" xsd:float is_a: XLMOD:00006 ! heterofunctional cross-linker relationship: has_property XLMOD:00013 ! membrane permeable relationship: has_reactive_group XLMOD:00101 ! NHS ester [Term] id: XLMOD:03013 name: Mts-Atf-Biotin-LC def: "Long chain Mts-Atf-Biotin." [PSI:XL] property_value: reactionSites: "3" xsd:nonNegativeInteger is_a: XLMOD:00003 ! label transfer reagent relationship: has_handle XLMOD:00051 ! biotin relationship: has_reactive_group XLMOD:00118 ! tetrafluorophenyl azide relationship: has_reactive_group XLMOD:00121 ! methanethiosulfonate relationship: is_cleavable XLMOD:00023 ! cleavable S-S bond [Term] id: XLMOD:03014 name: DADPS linker def: "Linker containing a dialkoxydiphenylsilane group." [PMID:31430117] property_value: reactionSites: "2" xsd:nonNegativeInteger property_value: specificities: "(C,U)" xsd:string is_a: XLMOD:00003 ! label transfer reagent relationship: has_handle XLMOD:00051 ! biotin relationship: has_reactive_group XLMOD:00055 ! azide is_a: XLMOD:00099 ! formic acid cleavable [Term] id: XLMOD:03015 name: AZO linker def: "Linker containing a azobenzene group." [PMID:31430117] property_value: reactionSites: "2" xsd:nonNegativeInteger property_value: specificities: "(C,U)" xsd:string is_a: XLMOD:00003 ! label transfer reagent relationship: has_handle XLMOD:00051 ! biotin relationship: has_reactive_group XLMOD:00055 ! azide is_a: XLMOD:00169 ! sodium dithionite cleavable [Term] id: XLMOD:06000 name: derivatization entity def: "Entity relevant to the domain of derivatization in chromatography." [PSI:XL] relationship: part_of XLMOD:00000 ! Proteomics Standards Initiative cross-linking and derivatization controlled vocabulary [Term] id: XLMOD:06001 name: GCMS derivatization reagent def: "Chemical reagent, which transforms a polar group in a molecule into a non-polar group in order to make the molecule volatile and analyzable by GC-MS." [PSI:XL] is_a: XLMOD:06000 ! derivatization entity [Term] id: XLMOD:06002 name: alkylation reagent def: "Derivatization reagent replacing an active hydrogen by an aliphatic or aliphatic-aromatic group." [PSI:XL] is_a: XLMOD:06001 ! GCMS derivatization reagent [Term] id: XLMOD:06003 name: silylation reagent def: "Silylation reagent replacing an active hydrogen by a silyl group." [PSI:XL] is_a: XLMOD:06001 ! GCMS derivatization reagent [Term] id: XLMOD:06004 name: acylation reagent def: "Acylation reagent replacing an active hydrogen by a acyl (R-C=O-) group." [PSI:XL] is_a: XLMOD:06001 ! GCMS derivatization reagent [Term] id: XLMOD:06005 name: fluorinated anhydride reagent def: "Fluorinated anhydride derivatization reagent." [PSI:XL] is_a: XLMOD:06004 ! acylation reagent [Term] id: XLMOD:06006 name: fluoracylimidazole reagent def: "Fluoracylimidazole derivatization reagent." [PSI:XL] is_a: XLMOD:06004 ! acylation reagent [Term] id: XLMOD:06008 name: halomethylsilyl reagent def: "Halogenation reagent which can produce both silylated and halogenated derivatives." [PSI:XL] is_a: XLMOD:06003 ! silylation reagent [Term] id: XLMOD:06009 name: chiral derivatization reagent def: "Chiral derivatization reagent with an enatiomerically pure chiral derivatizing agent to form two diastereomeric derivatives that can be separated by gas chromatography." [PSI:XL] is_a: XLMOD:06001 ! GCMS derivatization reagent [Term] id: XLMOD:06010 name: LCMS derivatization reagent def: "Chemical reagent, which transforms an analyte so that its stability, separation, extraction, ionization efficiency and MS2 detectability are improved in LC-MS analysis." [PSI:XL] is_a: XLMOD:06000 ! derivatization entity [Term] id: XLMOD:06011 name: dialkylacetal def: "Dialkylacetal reagent." [PSI:XL] is_a: XLMOD:06002 ! alkylation reagent [Term] id: XLMOD:06012 name: diazoalkal def: "Diazoalkal reagent." [PSI:XL] is_a: XLMOD:06002 ! alkylation reagent [Term] id: XLMOD:06013 name: TMS reagent def: "Trimethylsilyl (TMS) reagent replacing an active hydrogen by a silyl group." [PSI:XL] is_a: XLMOD:06003 ! silylation reagent [Term] id: XLMOD:06014 name: DMS reagent def: "Dimethylsilyl (DMS) reagent replacing an active hydrogen by a silyl group." [PSI:XL] is_a: XLMOD:06003 ! silylation reagent [Term] id: XLMOD:06015 name: TFA reagent def: "Trifluoroacetyl (TFA) reagent replacing an active hydrogen by a silyl group." [PSI:XL] is_a: XLMOD:06004 ! acylation reagent [Term] id: XLMOD:06016 name: boron trifluoride reagent def: "Boron trifluoride reagent." [PSI:XL] is_a: XLMOD:06002 ! alkylation reagent is_a: XLMOD:06010 ! LCMS derivatization reagent relationship: is_reactive_with XLMOD:00030 ! carboxyl reactive [Term] id: XLMOD:06017 name: N,N-Dimethylformamidedialkyl acetal def: "N,N-Dimethylformamidedialkyl acetal." [PSI:XL] is_a: XLMOD:06002 ! alkylation reagent relationship: is_reactive_with XLMOD:00030 ! carboxyl reactive [Term] id: XLMOD:06018 name: chloroformate reagent def: "Chloroformate reagent." [PSI:XL] is_a: XLMOD:06002 ! alkylation reagent is_a: XLMOD:06010 ! LCMS derivatization reagent relationship: has_reactive_group XLMOD:00163 ! chloroformate reactive group relationship: is_reactive_with XLMOD:06503 ! amino acid reactive relationship: is_reactive_with XLMOD:06509 ! phenol reactive relationship: is_reactive_with XLMOD:06513 ! thiol reactive [Term] id: XLMOD:06019 name: trialkyloxonium reagent def: "Trialkyloxonium reagent." [PSI:XL] is_a: XLMOD:06002 ! alkylation reagent [Term] id: XLMOD:06020 name: arylation reagent def: "Derivatization reagent replacing an active hydrogen by an aliphatic-aromatic group, e.g. a -phenyl, -tolyl, -xylyl, -naphthy, -benzyl group." [PSI:XL] is_a: XLMOD:06002 ! alkylation reagent [Term] id: XLMOD:06100 name: chromophore def: "A chromophore group attached to a derivatization reagent for enhanced UB- or VIS-detectability." [DOI:10.1016/B978-0-12-415806-1.00002-4] is_a: XLMOD:06000 ! derivatization entity [Term] id: XLMOD:06101 name: fluorophore def: "A fluorophore group attached to a derivatization reagent for enhanced fluorescence or chemiluminescence detectability." [DOI:10.1016/B978-0-12-415806-1.00002-4] is_a: XLMOD:06000 ! derivatization entity [Term] id: XLMOD:06102 name: electrophore def: "An electrophore group attached to a derivatization reagent for enhanced electrochemical detectability." [DOI:10.1016/B978-0-12-415806-1.00002-4] is_a: XLMOD:06000 ! derivatization entity [Term] id: XLMOD:06103 name: 4-nitrophenyl def: "4-Nitrophenyl fluorophore." [DOI:10.1016/B978-0-12-415806-1.00002-4] is_a: XLMOD:06101 ! fluorophore property_value: maxAbsorption: "265 nm" xsd:string [Term] id: XLMOD:06104 name: 2,4-dinitrophenyl def: "2,4-Dinitrophenyl fluorophore." [PSI:XL] is_a: XLMOD:06101 ! fluorophore [Term] id: XLMOD:06105 name: 3,5-dinitrobenzyl def: "3,5-Dinitrobenzyl fluorophore." [DOI:10.1016/B978-0-12-415806-1.00002-4] is_a: XLMOD:06101 ! fluorophore [Term] id: XLMOD:06106 name: 4-chlorobenzoate def: "4-Chlorobenzoatel fluorophore." [DOI:10.1016/B978-0-12-415806-1.00002-4] is_a: XLMOD:06101 ! fluorophore property_value: maxAbsorption: "236 nm" xsd:string [Term] id: XLMOD:06107 name: 4-nitrobenzoate def: "4-Nitrobenzoatel fluorophore." [DOI:10.1016/B978-0-12-415806-1.00002-4] is_a: XLMOD:06101 ! fluorophore property_value: maxAbsorption: "254 nm" xsd:string [Term] id: XLMOD:06108 name: toluoyl def: "Toluoyll fluorophore." [DOI:10.1016/B978-0-12-415806-1.00002-4] is_a: XLMOD:06101 ! fluorophore property_value: maxAbsorption: "236 nm" xsd:string [Term] id: XLMOD:06109 name: anisyl def: "Anisyl fluorophore." [DOI:10.1016/B978-0-12-415806-1.00002-4] is_a: XLMOD:06101 ! fluorophore property_value: maxAbsorption: "262 nm" xsd:string [Term] id: XLMOD:06110 name: phenacyl def: "Phenacyl fluorophore." [DOI:10.1016/B978-0-12-415806-1.00002-4] is_a: XLMOD:06101 ! fluorophore property_value: maxAbsorption: "250 nm" xsd:string [Term] id: XLMOD:06111 name: 4-bromophenacyl def: "4-Bromophenacyl fluorophore." [DOI:10.1016/B978-0-12-415806-1.00002-4] is_a: XLMOD:06101 ! fluorophore property_value: maxAbsorption: "260 nm" xsd:string [Term] id: XLMOD:06112 name: 2-naphthacyl def: "2-Naphthacyl fluorophore." [DOI:10.1016/B978-0-12-415806-1.00002-4] is_a: XLMOD:06101 ! fluorophore property_value: maxAbsorption: "248 nm" xsd:string [Term] id: XLMOD:06500 name: secondary amine reactive def: "Indicates that a reactive group is reactive with secondary amino (=NH) groups." [PSI:XL] is_a: XLMOD:00027 ! chemically reactive [Term] id: XLMOD:06501 name: active hydrogen reactive def: "Indicates that a derivatization reagent is reactive with active hydrogens like e.g. from -SH, -OH, -NH, -COOH groups." [PSI:XL] is_a: XLMOD:00027 ! chemically reactive [Term] id: XLMOD:06502 name: amide reactive def: "Indicates that a derivatization reagent is reactive with amides." [PSI:XL] is_a: XLMOD:00027 ! chemically reactive [Term] id: XLMOD:06503 name: amino acid reactive def: "Indicates that a derivatization reagent is reactive with amino acids." [PSI:XL] is_a: XLMOD:00027 ! chemically reactive [Term] id: XLMOD:06504 name: nitrosamine reactive def: "Indicates that a derivatization reagent is reactive with nitrosamines." [PSI:XL] is_a: XLMOD:00027 ! chemically reactive [Term] id: XLMOD:06505 name: sulfonamide reactive def: "Indicates that a derivatization reagent is reactive with sulfonamides." [PSI:XL] is_a: XLMOD:00027 ! chemically reactive [Term] id: XLMOD:06506 name: carbohydrate reactive def: "Indicates that a derivatization reagent is reactive with carbohydrates and sugars." [PSI:XL] is_a: XLMOD:00027 ! chemically reactive [Term] id: XLMOD:06507 name: catecholamine reactive def: "Indicates that a derivatization reagent is reactive with catecholamines." [PSI:XL] is_a: XLMOD:00027 ! chemically reactive [Term] id: XLMOD:06508 name: sulfide reactive def: "Indicates that a derivatization reagent is reactive with sulfides." [PSI:XL] is_a: XLMOD:00027 ! chemically reactive [Term] id: XLMOD:06509 name: phenol reactive def: "Indicates that a derivatization reagent is reactive with phenols." [PSI:XL] is_a: XLMOD:00027 ! chemically reactive [Term] id: XLMOD:06510 name: ketone reactive def: "Indicates that a derivatization reagent is reactive with ketones." [PSI:XL] is_a: XLMOD:00027 ! chemically reactive [Term] id: XLMOD:06511 name: biphosphonate drug reactive def: "Indicates that a derivatization reagent is reactive with biphosphonate drugs." [PSI:XL] is_a: XLMOD:00027 ! chemically reactive [Term] id: XLMOD:06512 name: steroid reactive def: "Indicates that a derivatization reagent is reactive with steroids." [PSI:XL] is_a: XLMOD:00027 ! chemically reactive [Term] id: XLMOD:06513 name: thiol reactive def: "Indicates that a derivatization reagent is reactive with thiols." [PSI:XL] is_a: XLMOD:00027 ! chemically reactive [Term] id: XLMOD:06514 name: Vitamin D metabolite reactive def: "Indicates that a derivatization reagent is reactive with vitamin D metabolites." [PSI:XL] is_a: XLMOD:00027 ! chemically reactive [Term] id: XLMOD:06515 name: nucleoside reactive def: "Indicates that a derivatization reagent is reactive with nucleosides." [PSI:XL] is_a: XLMOD:00027 ! chemically reactive [Term] id: XLMOD:06516 name: cholesterol reactive def: "Indicates that a derivatization reagent is reactive with cholesterols." [PSI:XL] is_a: XLMOD:00027 ! chemically reactive [Term] id: XLMOD:06517 name: histamine reactive def: "Indicates that a derivatization reagent is reactive with histamines." [PSI:XL] is_a: XLMOD:00027 ! chemically reactive [Term] id: XLMOD:06518 name: glycan reactive def: "Indicates that a derivatization reagent is reactive with glycans." [PSI:XL] is_a: XLMOD:00027 ! chemically reactive [Term] id: XLMOD:06519 name: alpha-keto acid reactive def: "Indicates that a derivatization reagent is reactive with alpha-keto-acids." [PSI:XL] is_a: XLMOD:00027 ! chemically reactive [Term] id: XLMOD:06520 name: citric acid reactive def: "Indicates that a derivatization reagent is reactive with citric acid." [PSI:XL] is_a: XLMOD:00027 ! chemically reactive [Term] id: XLMOD:06521 name: phophate reactive def: "Indicates that a derivatization reagent is reactive with phosphate." [PSI:XL] is_a: XLMOD:00027 ! chemically reactive [Term] id: XLMOD:06522 name: perfluorinated carboxylic acid reactive def: "Indicates that a derivatization reagent is reactive with perfluorinated carboxylic acids." [PSI:XL] is_a: XLMOD:00027 ! chemically reactive [Term] id: XLMOD:06523 name: sialic acid reactive def: "Indicates that a derivatization reagent is reactive with sialic acid." [PSI:XL] is_a: XLMOD:00027 ! chemically reactive [Term] id: XLMOD:06524 name: bile acid reactive def: "Indicates that a derivatization reagent is reactive with bile acids." [PSI:XL] is_a: XLMOD:00027 ! chemically reactive [Term] id: XLMOD:07000 name: dimethylformamide def: "Dimethylformamide." [CAS:68-12-2, PubChem_Compound:6228, MDL:MFCD00003284, ChemSpiderID:5993, ChemicalBookNo:CB2854115, DOI:10.5772/33098] synonym: "DMF" EXACT [] is_a: XLMOD:06011 ! dialkylacetal relationship: is_reactive_with XLMOD:00028 ! primary amine reactive relationship: is_reactive_with XLMOD:00030 ! carboxyl reactive relationship: is_reactive_with XLMOD:00032 ! hydroxyl reactive relationship: is_reactive_with XLMOD:06501 ! active hydrogen reactive relationship: is_reactive_with XLMOD:06502 ! amide reactive relationship: is_reactive_with XLMOD:06503 ! amino acid reactive relationship: is_reactive_with XLMOD:06504 ! nitrosamine reactive [Term] id: XLMOD:07001 name: diazomethane def: "Diazomethane." [CAS:334-88-3, PubChem_Compound:9550, ChemSpiderID:9176, ChemicalBookNo:CB4852342, DOI:10.5772/33098] is_a: XLMOD:06012 ! diazoalkal is_a: XLMOD:06010 ! LCMS derivatization reagent relationship: is_reactive_with XLMOD:00030 ! carboxyl reactive relationship: is_reactive_with XLMOD:06511 ! biphosphonate drug reactive [Term] id: XLMOD:07002 name: pentafluorobenzyl bromide def: "Pentafluorobenzyl bromide." [CAS:1765-40-8, PubChem_Compound:74484, MDL:MFCD00000299, ChemSpiderID:67069, ChemicalBookNo:CB9238273, DOI:10.5772/33098, PMID:22191594] synonym: "PFBBr" EXACT [] is_a: XLMOD:06020 ! arylation reagent is_a: XLMOD:06010 ! LCMS derivatization reagent relationship: has_reactive_group XLMOD:00168 ! benzyl bromide reactive group relationship: is_reactive_with XLMOD:06504 ! nitrosamine reactive relationship: is_reactive_with XLMOD:06505 ! sulfonamide reactive [Term] id: XLMOD:07003 name: pentafluorobenzylhydroxylaminehydrochloride def: "Pentafluorobenzylhydroxylaminehydrochloride." [CAS:57981-02-9, PubChem_Compound:129670358, Beilstein:4031190, MDL:MFCD00012953, ChemicalBookNo:CB8307815, DOI:10.5772/33098] synonym: "PFBHA" EXACT [] is_a: XLMOD:06020 ! arylation reagent relationship: is_reactive_with XLMOD:00063 ! carbonyl reactive [Term] id: XLMOD:07004 name: benzylbromide def: "Benzylbromide." [CAS:100-39-0, PubChem_Compound:7498, ChemSpiderID:13851576, ChemicalBookNo:CB6761035, DOI:10.5772/33098] synonym: "BnBr" EXACT [] is_a: XLMOD:06020 ! arylation reagent relationship: has_reactive_group XLMOD:00168 ! benzyl bromide reactive group [Term] id: XLMOD:07005 name: tetrabutylammoniumhydroxide def: "Tetrabutylammoniumhydroxide." [CAS:2052-49-5, PubChem_Compound:2723671, MDL:MFCD00009425, ChemSpiderID:13851576, ChemicalBookNo:CB6371870, DOI:10.5772/33098] synonym: "TBH" EXACT [] is_a: XLMOD:06002 ! alkylation reagent relationship: is_reactive_with XLMOD:00030 ! carboxyl reactive relationship: is_reactive_with XLMOD:06501 ! active hydrogen reactive relationship: is_reactive_with XLMOD:06503 ! amino acid reactive [Term] id: XLMOD:07006 name: boron trifluoride def: "Boron trifluoride derivatization reagent." [CAS:7637-07-2, MDL:MFCD00011316, ChemSpiderID:6116, ChemicalBookNo:CB3238105, DOI:10.5772/33098] synonym: "BF3" EXACT [] is_a: XLMOD:06016 ! boron trifluoride reagent [Term] id: XLMOD:07007 name: bis(trimethylsilyl)acetamide def: "Bis(trimethylsilyl)acetamide." [CAS:10416-59-8, PubChem_Compound:6913588, Beilstein:1306669, MDL:MFCD00008270, ChemSpiderID:4523073, ChemicalBookNo:CB7366985, DOI:10.5772/33098] synonym: "BSA" EXACT [] synonym: "N,O-Bis(trimethylsilyl)acetamide" EXACT [] is_a: XLMOD:06013 ! TMS reagent relationship: is_reactive_with XLMOD:00030 ! carboxyl reactive relationship: is_reactive_with XLMOD:00032 ! hydroxyl reactive relationship: is_reactive_with XLMOD:06502 ! amide reactive relationship: is_reactive_with XLMOD:06503 ! amino acid reactive [Term] id: XLMOD:07008 name: bis(trimethylsilyl)trifluoroacetamide def: "Bis(trimethylsilyl)trifluoroacetamide." [CAS:25561-30-2, PubChem_Compound:94358, ChemSpiderID:58770, ChemicalBookNo:CB5464744, DOI:10.5772/33098] synonym: "BSTFA" EXACT [] is_a: XLMOD:06013 ! TMS reagent relationship: is_reactive_with XLMOD:00028 ! primary amine reactive relationship: is_reactive_with XLMOD:00029 ! sulfhydryl reactive relationship: is_reactive_with XLMOD:00030 ! carboxyl reactive relationship: is_reactive_with XLMOD:00032 ! hydroxyl reactive relationship: is_reactive_with XLMOD:00032 ! hydroxyl reactive relationship: is_reactive_with XLMOD:06501 ! active hydrogen reactive relationship: is_reactive_with XLMOD:06503 ! amino acid reactive relationship: is_reactive_with XLMOD:06504 ! nitrosamine reactive [Term] id: XLMOD:07009 name: N-methyl-trimethylsilyltrifluoroacetamide def: "N-methyl-trimethylsilyltrifluoroacetamide." [CAS:24589-78-4, PubChem_Compound:32510, Beilstein:1941550, MDL:MFCD00000411, ChemSpiderID:30134, ChemicalBookNo:CB0161574, DOI:10.5772/33098, PMID:26478271] synonym: "MSTFA" EXACT [] is_a: XLMOD:06013 ! TMS reagent relationship: is_reactive_with XLMOD:00029 ! sulfhydryl reactive relationship: is_reactive_with XLMOD:00030 ! carboxyl reactive relationship: is_reactive_with XLMOD:00032 ! hydroxyl reactive relationship: is_reactive_with XLMOD:06501 ! active hydrogen reactive relationship: is_reactive_with XLMOD:06512 ! steroid reactive [Term] id: XLMOD:07010 name: hexamethyldisilazane def: "Hexamethyldisilazane." [CAS:999-97-3, PubChem_Compound:13838, ChemSpiderID:13238, ChemicalBookNo:CB9105784, DOI:10.5772/33098] synonym: "HMDS" EXACT [] is_a: XLMOD:06003 ! silylation reagent relationship: is_reactive_with XLMOD:00029 ! sulfhydryl reactive relationship: is_reactive_with XLMOD:00030 ! carboxyl reactive relationship: is_reactive_with XLMOD:00032 ! hydroxyl reactive relationship: is_reactive_with XLMOD:06501 ! active hydrogen reactive relationship: is_reactive_with XLMOD:06506 ! carbohydrate reactive [Term] id: XLMOD:07011 name: trimethylchlorosilane def: "Trimethylchlorosilane." [CAS:75-77-4, PubChem_Compound:6397, Beilstein:1209232, MDL:MFCD00000502, ChemSpiderID:6157, ChemicalBookNo:CB4375627, PMID:19525080, DOI:10.5772/33098] synonym: "TMCS" EXACT [] synonym: "CMTS" EXACT [] synonym: "Chlorotrimethylsilane" EXACT [] is_a: XLMOD:06013 ! TMS reagent relationship: is_reactive_with XLMOD:00029 ! sulfhydryl reactive relationship: is_reactive_with XLMOD:00030 ! carboxyl reactive relationship: is_reactive_with XLMOD:00032 ! hydroxyl reactive relationship: is_reactive_with XLMOD:06501 ! active hydrogen reactive relationship: is_reactive_with XLMOD:06506 ! carbohydrate reactive [Term] id: XLMOD:07012 name: trimethylsilylimidazole def: "Trimethylsilylimidazole." [CAS:18156-74-6, PubChem_Compound:28925, Beilstein:606148, MDL:MFCD00005280, ChemSpiderID:26905, ChemicalBookNo:CB5483743, DOI:10.5772/33098, PMID:26478271] synonym: "TMSI" EXACT [] synonym: "TMSIM" EXACT [] synonym: "1-(Trimethylsilyl)imidazole" EXACT [] is_a: XLMOD:06013 ! TMS reagent relationship: is_reactive_with XLMOD:00030 ! carboxyl reactive relationship: is_reactive_with XLMOD:00032 ! hydroxyl reactive relationship: is_reactive_with XLMOD:06501 ! active hydrogen reactive relationship: is_reactive_with XLMOD:06503 ! amino acid reactive relationship: is_reactive_with XLMOD:06506 ! carbohydrate reactive relationship: is_reactive_with XLMOD:06507 ! catecholamine reactive relationship: is_reactive_with XLMOD:06508 ! sulfide reactive relationship: is_reactive_with XLMOD:06512 ! steroid reactive [Term] id: XLMOD:07013 name: trimethylsilyldiethylamine def: "Trimethylsilyldiethylamine." [CAS:996-50-9, PubChem_Compound:70454, ChemSpiderID:63633, ChemicalBookNo:CB3771284, DOI:10.5772/33098] synonym: "TMS-DEA" EXACT [] is_a: XLMOD:06013 ! TMS reagent relationship: is_reactive_with XLMOD:00030 ! carboxyl reactive relationship: is_reactive_with XLMOD:06501 ! active hydrogen reactive relationship: is_reactive_with XLMOD:06503 ! amino acid reactive [Term] id: XLMOD:07014 name: N-methyl-N-t-butyldimethylsilyltrifluoroacetamide def: "N-methyl-N-t-butyldimethylsilyltrifluoroacetamide." [CAS:77377-52-7, PubChem_Compound:2724275, Beilstein:3606546, MDL:MFCD00009671, ChemSpiderID:2006425, ChemicalBookNo:CB7707814, DOI:10.5772/33098, PMID:26478271] synonym: "MTBSTFA" EXACT [] synonym: "1,3-Dimethyl-1,1,3,3-tetraphenyldisilazane" EXACT [] is_a: XLMOD:06014 ! DMS reagent relationship: is_reactive_with XLMOD:00030 ! carboxyl reactive relationship: is_reactive_with XLMOD:06501 ! active hydrogen reactive relationship: is_reactive_with XLMOD:06512 ! steroid reactive [Term] id: XLMOD:07015 name: trifluoroacetoic anhydride def: "Trifluoroacetoic anhydride." [CAS:407-25-0, PubChem_Compound:9845, DOI:10.5772/33098] synonym: "TFAA" EXACT [] is_a: XLMOD:06005 ! fluorinated anhydride reagent is_a: XLMOD:06015 ! TFA reagent relationship: is_reactive_with XLMOD:00028 ! primary amine reactive relationship: is_reactive_with XLMOD:00032 ! hydroxyl reactive relationship: is_reactive_with XLMOD:06501 ! active hydrogen reactive [Term] id: XLMOD:07016 name: pentafluoropropionic anhydride def: "Pentafluoropropionic anhydride." [CAS:356-42-3, PubChem_Compound:67742, Beilstein:1806446, MDL:MFCD00000429, ChemicalBookNo:CB2749284, DOI:10.5772/33098] synonym: "PFPA" EXACT [] is_a: XLMOD:06005 ! fluorinated anhydride reagent relationship: is_reactive_with XLMOD:00028 ! primary amine reactive relationship: is_reactive_with XLMOD:00030 ! carboxyl reactive relationship: is_reactive_with XLMOD:00032 ! hydroxyl reactive relationship: is_reactive_with XLMOD:06501 ! active hydrogen reactive relationship: is_reactive_with XLMOD:06504 ! nitrosamine reactive relationship: is_reactive_with XLMOD:06507 ! catecholamine reactive [Term] id: XLMOD:07017 name: heptafluorobutyric anhydride def: "Heptafluorobutyric anhydride." [CAS:336-59-4, PubChem_Compound:67643, Beilstein:856036, MDL:MFCD00000432, ChemSpiderID:60962, ChemicalBookNo:CB5217287, DOI:10.5772/33098, PMID:26478271] synonym: "HFBA" EXACT [] is_a: XLMOD:06005 ! fluorinated anhydride reagent relationship: is_reactive_with XLMOD:06501 ! active hydrogen reactive relationship: is_reactive_with XLMOD:06504 ! nitrosamine reactive relationship: is_reactive_with XLMOD:06505 ! sulfonamide reactive relationship: is_reactive_with XLMOD:06512 ! steroid reactive [Term] id: XLMOD:07018 name: trifluoroacetylimidazole def: "Trifluoroacetylimidazole." [CAS:1546-79-8, PubChem_Compound:73767, Beilstein:608904, MDL:MFCD00014501, ChemSpiderID:66407, ChemicalBookNo:CB7308204, DOI:10.5772/33098] synonym: "TFAI" EXACT [] is_a: XLMOD:06005 ! fluoracylimidazole reagent is_a: XLMOD:06015 ! TFA reagent relationship: is_reactive_with XLMOD:06501 ! active hydrogen reactive [Term] id: XLMOD:07019 name: pentafluoropropanylimidazole def: "Pentafluoropropanylimidazole." [DOI:10.5772/33098] synonym: "PFPI" EXACT [] is_a: XLMOD:06005 ! fluoracylimidazole reagent relationship: is_reactive_with XLMOD:06501 ! active hydrogen reactive [Term] id: XLMOD:07020 name: heptafluorobutyrylimidazole def: "Heptafluorobutyrylimidazole." [CAS:32477-35-3, PubChem_Compound:94431, MDL:MFCD00014503, ChemSpiderID:85218, ChemicalBookNo:CB4100522, DOI:10.5772/33098] synonym: "HFBI" EXACT [] is_a: XLMOD:06005 ! fluoracylimidazole reagent relationship: is_reactive_with XLMOD:00028 ! primary amine reactive relationship: is_reactive_with XLMOD:00032 ! hydroxyl reactive relationship: is_reactive_with XLMOD:06501 ! active hydrogen reactive relationship: is_reactive_with XLMOD:06502 ! amide reactive relationship: is_reactive_with XLMOD:06503 ! amino acid reactive relationship: is_reactive_with XLMOD:06507 ! catecholamine reactive [Term] id: XLMOD:07021 name: N-Methyl-bis(trifluoroacetamide) def: "N-Methyl-bis(trifluoroacetamide)." [CAS:685-27-8, PubChem_Compound:69635, Beilstein:1878402, MDL:MFCD00000412, ChemSpiderID:62836, ChemicalBookNo:CB0220312, DOI:10.5772/33098] synonym: "MBTFA" EXACT [] is_a: XLMOD:06015 ! TFA reagent relationship: is_reactive_with XLMOD:00032 ! hydroxyl reactive relationship: is_reactive_with XLMOD:06501 ! active hydrogen reactive [Term] id: XLMOD:07022 name: pentafluorobenzoyl chloride def: "Pentafluorobenzoyl chloride." [CAS:2251-50-5, PubChem_Compound:75256, Beilstein:2054397, MDL:MFCD00000657, ChemSpiderID:67799, ChemicalBookNo:CB6191348, DOI:10.5772/33098] synonym: "PFBC" EXACT [] is_a: XLMOD:06003 ! acylation reagent is_a: XLMOD:06010 ! LCMS derivatization reagent relationship: has_reactive_group XLMOD:00155 ! acyl chloride [Term] id: XLMOD:07023 name: pentafluoropropanol def: "Pentafluoropropanol." [CAS:679-86-7, PubChem_Compound:168785, MDL:MFCD00153226, ChemSpiderID:9488, ChemicalBookNo:CB9689963, DOI:10.5772/33098] synonym: "PFPOH" EXACT [] is_a: XLMOD:06003 ! acylation reagent relationship: is_reactive_with XLMOD:00030 ! carboxyl reactive relationship: is_reactive_with XLMOD:06501 ! active hydrogen reactive [Term] id: XLMOD:07024 name: 4-Carbethoxyhexafluorobutyrylchloride def: "4-Carbethoxyhexafluorobutyrylchloride." [CAS:18381-53-8, PubChem_Compound:161251, ChemSpiderID:141651, ChemicalBookNo:CB2153034, DOI:10.5772/33098] synonym: "4-CB" EXACT [] is_a: XLMOD:06003 ! acylation reagent relationship: is_reactive_with XLMOD:00028 ! primary amine reactive [Term] id: XLMOD:07025 name: N-trifluoroacetyl-L-prolylchloride def: "N-trifluoroacetyl-L-prolylchloride." [CAS:36724-68-2, PubChem_Compound:3082449, ChemicalBookNo:CB1411487, DOI:10.5772/33098] synonym: "TPC" EXACT [] is_a: XLMOD:06009 ! chiral derivatization reagent relationship: is_reactive_with XLMOD:00028 ! primary amine reactive [Term] id: XLMOD:07026 name: (S)-(-)-N-(Trifluoroacetyl)-prolylchloride def: "(S)-(-)-N-(Trifluoroacetyl)-prolylchloride." [CAS:36724-68-2, PubChem_Compound:3082449, ChemicalBookNo:3082449, DOI:10.5772/33098] synonym: "I-TPC" EXACT [] is_a: XLMOD:06009 ! chiral derivatization reagent relationship: is_reactive_with XLMOD:00028 ! primary amine reactive [Term] id: XLMOD:07027 name: (-)-alpha-Methoxy-alpha-trifluoromethylphenylacetic acid def: "(-)-alpha-Methoxy-alpha-trifluoromethylphenylacetic acid." [CAS:56135-03-6, PubChem_Compound:2723917, MDL:MFCD00066637, DOI:10.5772/33098] synonym: "MTPA" EXACT [] is_a: XLMOD:06009 ! chiral derivatization reagent relationship: is_reactive_with XLMOD:00028 ! primary amine reactive [Term] id: XLMOD:07028 name: oximation reagent def: "Oximation reagent replacing an aldehyde keto group with an O-methyloxime group." [PSI:XL] is_a: XLMOD:06001 ! GCMS derivatization reagent [Term] id: XLMOD:07029 name: methoxylamine hydrochloride def: "Methoxylamine hydrochloride." [CAS:593-56-6, PubChem_Compound:521874, MDL:MFCD00012951, Beilstein:3589723, ChemSpiderID:455236, ChemicalBookNo:CB3439014] synonym: "O-Methylhydroxylamine hydrochloride" EXACT [] synonym: "Methoxyammonium chloride" EXACT [] is_a: XLMOD:06002 ! alkylation reagent is_a: XLMOD:07028 ! oximation reagent relationship: is_reactive_with XLMOD:00031 ! aldehyde reactive relationship: is_reactive_with XLMOD:06506 ! carbohydrate reactive [Term] id: XLMOD:07030 name: Trimethyliodosilane def: "Trimethyliodosilane." [PMID:26478271, PMID:26478271] synonym: "TMIS" EXACT [] is_a: XLMOD:06009 ! chiral derivatization reagent is_a: XLMOD:06013 ! TMS reagent is_a: XLMOD:06010 ! LCMS derivatization reagent relationship: is_reactive_with XLMOD:00032 ! hydroxyl reactive relationship: is_reactive_with XLMOD:06512 ! steroid reactive [Term] id: XLMOD:07031 name: deuterium labelled N-methyl-trimethylsilyltrifluoroacetamide def: "Deuterium labelled N-methyl-trimethylsilyltrifluoroacetamide." [CAS:945623-67-6, ChemicalBookNo:CB72545465, PMID:23628173] synonym: "MSTFA-d9" EXACT [] is_a: XLMOD:06013 ! TMS reagent relationship: is_labelled XLMOD:00010 ! deuterium labelled relationship: is_reactive_with XLMOD:00029 ! sulfhydryl reactive relationship: is_reactive_with XLMOD:00030 ! carboxyl reactive relationship: is_reactive_with XLMOD:00032 ! hydroxyl reactive relationship: is_reactive_with XLMOD:06501 ! active hydrogen reactive relationship: is_reactive_with XLMOD:06512 ! steroid reactive [Term] id: XLMOD:07032 name: deuterium labelled N-methyl-N-t-butyldimethylsilyltrifluoroacetamide def: "Deuterium labelled N-methyl-N-t-butyldimethylsilyltrifluoroacetamide." [PMID:23628173] synonym: "MTBSTFA-d6" EXACT [] is_a: XLMOD:06014 ! DMS reagent relationship: is_labelled XLMOD:00010 ! deuterium labelled relationship: is_reactive_with XLMOD:00030 ! carboxyl reactive relationship: is_reactive_with XLMOD:06501 ! active hydrogen reactive relationship: is_reactive_with XLMOD:06503 ! amino acid reactive relationship: is_reactive_with XLMOD:06512 ! steroid reactive [Term] id: XLMOD:07033 name: deuterium labelled methyl chloroformate def: "Deuterium labelled methyl chloroformate." [PMID:23628173] synonym: "MCF-d3" EXACT [] is_a: XLMOD:06018 ! chloroformate reagent relationship: is_labelled XLMOD:00010 ! deuterium labelled [Term] id: XLMOD:07034 name: methyl chloroformate def: "Methyl chloroformate." [CAS:79-22-1, PubChem_Compound:6586, ChemSpiderID:6337] synonym: "MCF" EXACT [] is_a: XLMOD:06018 ! chloroformate reagent [Term] id: XLMOD:07035 name: 9-Fluorenylmethyl chloroformate def: "9-Fluorenylmethyl chloroformate." [CAS:28920-43-6, ChemSpiderID:31647, ChemicalBookNo:CB7234569] is_a: XLMOD:06018 ! chloroformate reagent [Term] id: XLMOD:07036 name: trichloroethyl chloroformate def: "Trichloroethyl chloroformate." [CAS:17341-93-4, PubChem_Compound:87063, ChemSpiderID:78534, ChemicalBookNo:CB1372973] synonym: "TCECF" EXACT [] is_a: XLMOD:06018 ! chloroformate reagent [Term] id: XLMOD:07037 name: pentafluorobenzyl chloroformate def: "Pentafluorobenzyl chloroformate." [CAS:53526-74-2, PubChem_Compound:2775932, ChemSpiderID:2056259, ChemicalBookNo:CB8165220] synonym: "PFBCF" EXACT [] is_a: XLMOD:06018 ! chloroformate reagent [Term] id: XLMOD:07038 name: 1-chloroethyl chloroformate def: "1-chloroethyl chloroformate." [CAS:50893-53-3, PubChem_Compound:521305, ChemSpiderID:454726, ChemicalBookNo:CB5320341] synonym: "1CEF" EXACT [] is_a: XLMOD:06018 ! chloroformate reagent [Term] id: XLMOD:07039 name: N-Acetylimidazole def: "N-Acetylimidazole." [CAS:2466-76-4, PubChem_Compound:17174, ChemSpiderID:16257, ChemicalBookNo:CB9339608] synonym: "AIM" EXACT [] is_a: XLMOD:06003 ! acylation reagent [Term] id: XLMOD:07040 name: 1,3-Bis(chloromethyl)-1,1,3,3-tetramethyldisilazane def: "1,3-Bis(chloromethyl)-1,1,3,3-tetramethyldisilazane." [CAS:14579-91-0, PubChem_Compound:26740, ChemSpiderID:24914, ChemicalBookNo:CB1743876] synonym: "CMTMS" EXACT [] is_a: XLMOD:06014 ! DMS reagent relationship: is_reactive_with XLMOD:06512 ! steroid reactive [Term] id: XLMOD:07041 name: Dimethylchlorosilane def: "Dimethylchlorosilane." [CAS:1066-35-9, PubChem_Compound:6327132, ChemSpiderID:59496, ChemicalBookNo:CB3694606] synonym: "DMCS" EXACT [] is_a: XLMOD:06014 ! DMS reagent relationship: is_reactive_with XLMOD:00032 ! hydroxyl reactive relationship: is_reactive_with XLMOD:06510 ! ketone reactive relationship: is_reactive_with XLMOD:06512 ! steroid reactive [Term] id: XLMOD:07042 name: N-Trimethylsilylacetamide def: "N-Trimethylsilylacetamide." [CAS:13435-12-6, PubChem_Compound:25989, ChemSpiderID:24208, ChemicalBookNo:CB7667530] synonym: "TMSA" EXACT [] synonym: "N-(Trimethylsilyl)acetamide" EXACT [] is_a: XLMOD:06013 ! TMS reagent relationship: is_reactive_with XLMOD:06506 ! carbohydrate reactive [Term] id: XLMOD:07043 name: N-(Trimethylsilyl)diethylamine def: "N-(Trimethylsilyl)diethylamine." [CAS:996-50-9, PubChem_Compound:70454, ChemSpiderID:63633, ChemicalBookNo:CB3771284] synonym: "TMSDEA" EXACT [] is_a: XLMOD:06013 ! TMS reagent relationship: is_reactive_with XLMOD:06503 ! amino acid reactive [Term] id: XLMOD:07044 name: trimethylphenylammonium hydroxide def: "Trimethylphenylammonium hydroxide." [CAS:1899-02-1, PubChem_Compound:15913, ChemSpiderID:15124, ChemicalBookNo:CB5316173] synonym: "TMPAH" EXACT [] synonym: "MethElute reagent" EXACT [] is_a: XLMOD:06002 ! alkylation reagent relationship: is_reactive_with XLMOD:00028 ! primary amine reactive relationship: is_reactive_with XLMOD:00030 ! carboxyl reactive relationship: is_reactive_with XLMOD:06502 ! amide reactive [Term] id: XLMOD:07045 name: N,N-Dimethylformamidedimethyl acetal def: "N,N-Dimethylformamidedimethyl acetal." [CAS:4637-24-5, PubChem_Compound:78373, ChemSpiderID:70742, ChemicalBookNo:CB8178244] synonym: "DMFDMA" EXACT [] synonym: "Methylate reagent" EXACT [] is_a: XLMOD:06017 ! N,N-Dimethylformamidedialkyl acetal [Term] id: XLMOD:07046 name: dimethyldichlorosilane def: "Dimethyldichlorosilane." [CAS:75-78-5, PubChem_Compound:6398, ChemSpiderID:6158, ChemicalBookNo:CB8854243] synonym: "DMDCS" EXACT [] is_a: XLMOD:06014 ! DMS reagent [Term] id: XLMOD:07047 name: N-t-Butyldimethylsilylimidazole def: "N-t-Butyldimethylsilylimidazole." [CAS:54925-64-3, PubChem_Compound:171385, ChemSpiderID:149827, ChemicalBookNo:CB1271225] synonym: "TBDMSIM" EXACT [] is_a: XLMOD:06003 ! silylation reagent [Term] id: XLMOD:07048 name: 4-Trimethylsiloxy-3-penten-2-one def: "4-Trimethylsiloxy-3-penten-2-one." [CAS:13257-81-3, PubChem_Compound:6059369, ChemSpiderID:4518416, ChemicalBookNo:CB3457672] is_a: XLMOD:06013 ! TMS reagent [Term] id: XLMOD:07049 name: bromotrimethylsilane def: "Bromotrimethylsilane." [CAS:2857-97-8, PubChem_Compound:76113, ChemSpiderID:68599, ChemicalBookNo:CB9749809] is_a: XLMOD:06013 ! TMS reagent [Term] id: XLMOD:07050 name: triisopropylsilyl chloride def: "Triisopropylsilyl chloride." [CAS:13154-24-0, PubChem_Compound:139400, ChemSpiderID:122926, ChemicalBookNo:CB3405310] is_a: XLMOD:06003 ! silylation reagent [Term] id: XLMOD:07051 name: triisopropylsilyl trifluoromethanesulfonate def: "Triisopropylsilyl trifluoromethanesulfonate." [CAS:80522-42-5, PubChem_Compound:2724529, ChemSpiderID:2006662, ChemicalBookNo:CB5189874] is_a: XLMOD:06003 ! silylation reagent [Term] id: XLMOD:07052 name: triethylsilyl trifluoromethanesulfonate def: "Triethylsilyl trifluoromethanesulfonate." [CAS:79271-56-0, PubChem_Compound:2733308, ChemSpiderID:2015110, ChemicalBookNo:CB6298346] is_a: XLMOD:06003 ! silylation reagent [Term] id: XLMOD:07053 name: chlorotriethylsilane def: "Chlorotriethylsilane." [CAS:994-30-9, PubChem_Compound:13819, ChemSpiderID:13221, ChemicalBookNo:CB4746520] is_a: XLMOD:06003 ! silylation reagent [Term] id: XLMOD:07054 name: chloro-dimethyl(pentafluorophenyl)silane def: "Chloro-dimethyl(pentafluorophenyl)silane." [CAS:20082-71-7, PubChem_Compound:88361, ChemSpiderID:79715, ChemicalBookNo:CB8853291] is_a: XLMOD:06003 ! silylation reagent [Term] id: XLMOD:07055 name: N-Methyl-N-trimethylsilyl-heptafluorobutyramide def: "N-Methyl-N-trimethylsilyl-heptafluorobutyramide." [CAS:53296-64-3, PubChem_Compound:2775707, ChemSpiderID:2056039, ChemicalBookNo:CB1232811] synonym: "Mshfba" EXACT [] is_a: XLMOD:06013 ! TMS reagent [Term] id: XLMOD:07056 name: N-Methyl-N-trimethylsilylacetamide def: "N-Methyl-N-trimethylsilylacetamide." [CAS:7449-74-3, PubChem_Compound:81953, ChemSpiderID:73958, ChemicalBookNo:CB4355232] is_a: XLMOD:06013 ! TMS reagent [Term] id: XLMOD:07057 name: hexamethyldisiloxane def: "Hexamethyldisiloxane." [CAS:107-46-0, PubChem_Compound:24764, ChemSpiderID:23150, ChemicalBookNo:CB2446352] is_a: XLMOD:06003 ! silylation reagent [Term] id: XLMOD:07058 name: 1,1,3,3-Tetramethyl-1,3-diphenyldisilazane def: "1,1,3,3-Tetramethyl-1,3-diphenyldisilazane." [CAS:3449-26-1, PubChem_Compound:76988, ChemSpiderID:69434, ChemicalBookNo:CB7212822] is_a: XLMOD:06003 ! silylation reagent [Term] id: XLMOD:07059 name: N,N-Dimethyltrimethylsilylamine def: "N,N-Dimethyltrimethylsilylamine." [CAS:2083-91-2, PubChem_Compound:74965, ChemSpiderID:67521, ChemicalBookNo:CB1279847] is_a: XLMOD:06013 ! TMS reagent [Term] id: XLMOD:07060 name: N,N'-Bis(trimethylsilyl)urea def: "N,N'-Bis(trimethylsilyl)urea." [CAS:18297-63-7, PubChem_Compound:87562, ChemSpiderID:78992, ChemicalBookNo:CB6152161] is_a: XLMOD:06013 ! TMS reagent [Term] id: XLMOD:07061 name: N,O-Bis(trimethylsilyl)carbamate def: "N,O-Bis(trimethylsilyl)carbamate." [CAS:35342-88-2, PubChem_Compound:3015764, ChemSpiderID:2283833, ChemicalBookNo:CB2248969] is_a: XLMOD:06013 ! TMS reagent [Term] id: XLMOD:07062 name: N,N-Bis(trimethylsilyl)methylamine def: "N,N-Bis(trimethylsilyl)methylamine." [CAS:920-68-3, PubChem_Compound:70199, ChemSpiderID:63385, ChemicalBookNo:CB0439806] is_a: XLMOD:06013 ! TMS reagent [Term] id: XLMOD:07063 name: bis(dimethylamino)dimethylsilane def: "Bis(dimethylamino)dimethylsilane." [CAS:3768-58-9, PubChem_Compound:77384, ChemSpiderID:69798, ChemicalBookNo:CB1214899] is_a: XLMOD:06003 ! silylation reagent [Term] id: XLMOD:07064 name: Trimethylsilyl methallylsulfinate def: "Trimethylsilyl methallylsulfinate." [CAS:723336-86-5, PubChem_Compound:71312539, ChemSpiderID:28419285, ChemicalBookNo:CB32750948] is_a: XLMOD:06013 ! TMS reagent [Term] id: XLMOD:07065 name: Triethylsilyl methallylsulfinate def: "Triethylsilyl methallylsulfinate." [CAS:850418-19-8, PubChem_Compound:71312540, ChemSpiderID:35789839, ChemicalBookNo:CB42756013] is_a: XLMOD:06003 ! silylation reagent [Term] id: XLMOD:07066 name: tert-Butyldimethylsilyl methallylsulfinate def: "Tert-Butyldimethylsilyl methallylsulfinate." [CAS:850418-20-1, PubChem_Compound:71312541, ChemSpiderID:35789840, ChemicalBookNo:CB72750946] synonym: "SILMAS-TBS" EXACT [] is_a: XLMOD:06003 ! silylation reagent [Term] id: XLMOD:07067 name: methyltrifluoromethanesulfonate def: "Methyltrifluoromethanesulfonate." [CAS:333-27-7, PubChem_Compound:9526, ChemSpiderID:9153, ChemicalBookNo:CB9131563] is_a: XLMOD:06004 ! acylation reagent [Term] id: XLMOD:07068 name: ethyl trifluoromethanesulfonate def: "Ethyl trifluoromethanesulfonate." [CAS:425-75-2, PubChem_Compound:67924, ChemSpiderID:61241, ChemicalBookNo:CB4332659] is_a: XLMOD:06004 ! acylation reagent [Term] id: XLMOD:07069 name: trichloroacetyl chloride def: "Trichloroacetyl chloride." [CAS:76-02-8, PubChem_Compound:6420, ChemSpiderID:6180, ChemicalBookNo:CB6854254] is_a: XLMOD:06004 ! acylation reagent [Term] id: XLMOD:07070 name: 2-Thenoyltrifluoroacetone def: "2-Thenoyltrifluoroacetone." [CAS:326-91-0, PubChem_Compound:5601, ChemSpiderID:5399, ChemicalBookNo:CB3219722] is_a: XLMOD:06004 ! acylation reagent [Term] id: XLMOD:07071 name: 2,2,6,6-Tetramethyl-3,5-heptanedione def: "2,2,6,6-Tetramethyl-3,5-heptanedione." [CAS:1118-71-4, PubChem_Compound:70700, ChemSpiderID:63866, ChemicalBookNo:CB1373637] is_a: XLMOD:06004 ! acylation reagent [Term] id: XLMOD:07072 name: N-Methyl-bis-heptafluorobutyramide def: "N-Methyl-bis-heptafluorobutyramide." [CAS:73980-71-9, PubChem_Compound:597974, ChemSpiderID:519801, ChemicalBookNo:CB6699309] is_a: XLMOD:06004 ! acylation reagent [Term] id: XLMOD:07073 name: N,N'-Diisopropyl-O-methylisourea def: "N,N'-Diisopropyl-O-methylisourea." [CAS:54648-79-2, PubChem_Compound:383824, ChemSpiderID:340092, ChemicalBookNo:CB4130844] is_a: XLMOD:06004 ! acylation reagent [Term] id: XLMOD:07074 name: 3,3,3-Trifluoro-2-methoxy-2-phenylpropanoic acid def: "3,3,3-Trifluoro-2-methoxy-2-phenylpropanoic acid." [CAS:81655-41-6, PubChem_Compound:86531, ChemSpiderID:5360910, ChemicalBookNo:CB4264981] is_a: XLMOD:06004 ! acylation reagent [Term] id: XLMOD:07075 name: 6,6,7,7,8,8,8-Heptafluoro-2,2-dimethyl-3,5-octanedione def: "6,6,7,7,8,8,8-Heptafluoro-2,2-dimethyl-3,5-octanedione." [CAS:17587-22-3, PubChem_Compound:28614, ChemSpiderID:26612, ChemicalBookNo:CB2271873] is_a: XLMOD:06004 ! acylation reagent [Term] id: XLMOD:07076 name: 4-Bromophenacyl trifluoro-methanesulfonate def: "4-Bromophenacyl trifluoro-methanesulfonate." [CAS:93128-04-2, PubChem_Compound:125008, ChemSpiderID:111291, ChemicalBookNo:CB4137500] synonym: "4-Bromophenacyl triflate" EXACT [] is_a: XLMOD:06004 ! acylation reagent relationship: has_fluorophore XLMOD:06111 ! 4-bromophenacyl [Term] id: XLMOD:07077 name: 2,3-Diaminotoluene def: "2,3-Diaminotoluene." [CAS:2687-25-4, PubChem_Compound:17593, ChemSpiderID:16633, ChemicalBookNo:CB2736932] is_a: XLMOD:06004 ! acylation reagent [Term] id: XLMOD:07078 name: 2,6-Diamino-4-pyrimidinone def: "2,6-Diamino-4-pyrimidinone." [CAS:56-06-4, PubChem_Compound:2944, ChemSpiderID:2840, ChemicalBookNo:CB0174912] is_a: XLMOD:06004 ! acylation reagent [Term] id: XLMOD:07079 name: benzoic acid def: "Benzoic acid." [CAS:65-85-0, PubChem_Compound:243, ChemSpiderID:238, ChemicalBookNo:CB8698780] is_a: XLMOD:06004 ! acylation reagent [Term] id: XLMOD:07080 name: tert-Butyl methyl ether def: "Tert-Butyl methyl ether." [CAS:1634-04-4, PubChem_Compound:15413, ChemSpiderID:14672, ChemicalBookNo:CB2853178] is_a: XLMOD:06004 ! acylation reagent [Term] id: XLMOD:07081 name: ethyl acetoacetate def: "Ethyl acetoacetate." [CAS:141-97-9, PubChem_Compound:8868, ChemSpiderID:13865426, ChemicalBookNo:CB0301721] is_a: XLMOD:06004 ! acylation reagent [Term] id: XLMOD:07082 name: (1S)-(+)-Menthyl chloroformate def: "(1S)-(+)-Menthyl chloroformate." [CAS:7635-54-3, PubChem_Compound:2733329, ChemSpiderID:2015131, ChemicalBookNo:CB5397503] is_a: XLMOD:06004 ! acylation reagent is_a: XLMOD:06009 ! chiral derivatization reagent is_a: XLMOD:06018 ! chloroformate reagent [Term] id: XLMOD:07083 name: butylboronic acid def: "Butylboronic acid." [CAS:4426-47-5, PubChem_Compound:20479, ChemSpiderID:19286, ChemicalBookNo:CB6431756] is_a: XLMOD:06004 ! acylation reagent relationship: has_reactive_group XLMOD:00161 ! boronic acid [Term] id: XLMOD:07084 name: 1-(Pentafluoropropionyl) imidazole def: "1-(Pentafluoropropionyl) imidazole." [CAS:71735-32-5, PubChem_Compound:100821, ChemSpiderID:91097, ChemicalBookNo:CB8441122] is_a: XLMOD:06004 ! acylation reagent [Term] id: XLMOD:07085 name: hexafluoroacetylacetone def: "Hexafluoroacetylacetone." [CAS:1522-22-1, PubChem_Compound:73706, ChemSpiderID:21106446, ChemicalBookNo:CB8188414] synonym: "Hexafluoro-2,4-pentanedione" EXACT [] is_a: XLMOD:06004 ! acylation reagent [Term] id: XLMOD:07086 name: 2,3,4,5,6-Pentafluorobenzaldehyde def: "2,3,4,5,6-Pentafluorobenzaldehyde." [CAS:653-37-2, PubChem_Compound:69558, ChemSpiderID:21106527, ChemicalBookNo:CB6754598] is_a: XLMOD:06004 ! acylation reagent [Term] id: XLMOD:07087 name: pentafluorobenzenesulfonyl chloride def: "Pentafluorobenzenesulfonyl chloride." [CAS:832-53-1, PubChem_Compound:70026, ChemSpiderID:63216, ChemicalBookNo:CB7243712] is_a: XLMOD:06004 ! acylation reagent [Term] id: XLMOD:07088 name: 1,1,1-Trifluoro-2,4-pentanedione def: "1,1,1-Trifluoro-2,4-pentanedione." [CAS:367-57-7, PubChem_Compound:73943, ChemSpiderID:66573, ChemicalBookNo:CB6699233] is_a: XLMOD:06015 ! TFA reagent [Term] id: XLMOD:07089 name: 1,1,1-Trifluoroacetone def: "1,1,1-Trifluoroacetone." [CAS:421-50-1, PubChem_Compound:9871, ChemSpiderID:21111803, ChemicalBookNo:CB4123453] is_a: XLMOD:06015 ! TFA reagent [Term] id: XLMOD:07090 name: 4-(Trifluoromethyl)benzoyl chloride def: "4-(Trifluoromethyl)benzoyl chloride." [CAS:329-15-7, PubChem_Compound:67607, ChemSpiderID:60927, ChemicalBookNo:CB9762316] is_a: XLMOD:06015 ! TFA reagent [Term] id: XLMOD:07091 name: 8-Quinolinesulfonyl chloride def: "8-Quinolinesulfonyl chloride." [CAS:18704-37-5, PubChem_Compound:29220, ChemSpiderID:27177, ChemicalBookNo:CB8329163] is_a: XLMOD:06004 ! acylation reagent [Term] id: XLMOD:07092 name: (1R)-(-)-Menthyl chloroformate def: "(1R)-(-)-Menthyl chloroformate." [CAS:14602-86-9, PubChem_Compound:7014897, ChemSpiderID:17206727, ChemicalBookNo:CB7248919] is_a: XLMOD:06004 ! acylation reagent is_a: XLMOD:06009 ! chiral derivatization reagent is_a: XLMOD:06018 ! chloroformate reagent [Term] id: XLMOD:07093 name: phenylboronic acid def: "Phenylboronic acid." [CAS:98-80-6, PubChem_Compound:66827, ChemSpiderID:60191, ChemicalBookNo:CB5323625] is_a: XLMOD:06004 ! acylation reagent relationship: has_reactive_group XLMOD:00161 ! boronic acid [Term] id: XLMOD:07094 name: methylboronic acid def: "Methylboronic acid." [CAS:13061-96-6, PubChem_Compound:139377, ChemSpiderID:122904, ChemicalBookNo:CB3373202] is_a: XLMOD:06004 ! acylation reagent relationship: has_reactive_group XLMOD:00161 ! boronic acid [Term] id: XLMOD:07095 name: 2,3,4,5,6-Pentafluorobenzoic anhydride def: "2,3,4,5,6-Pentafluorobenzoic anhydride." [CAS:15989-99-8, PubChem_Compound:189034, ChemSpiderID:164254, ChemicalBookNo:CB3497119] is_a: XLMOD:06004 ! acylation reagent [Term] id: XLMOD:07096 name: 4-(Dimethylamino)benzoyl chloride def: "4-(Dimethylamino)benzoyl chloride." [CAS:4755-50-4, PubChem_Compound:4400782, ChemSpiderID:3601987, ChemicalBookNo:CB6399872] is_a: XLMOD:06004 ! acylation reagent [Term] id: XLMOD:07097 name: boron trifluoride butanol def: "Boron trifluoride butanol." [CAS:7637-07-2, PubChem_Compound:6356, ChemSpiderID:6116, ChemicalBookNo:CB3238105] synonym: "BF3-butanol" EXACT [] is_a: XLMOD:06016 ! boron trifluoride reagent [Term] id: XLMOD:07098 name: 1,1,1,3,3,3-Hexafluoro-2-propanol def: "1,1,1,3,3,3-Hexafluoro-2-propanol." [CAS:920-66-1, PubChem_Compound:13529, ChemSpiderID:10606755, ChemicalBookNo:CB3251829] is_a: XLMOD:06002 ! alkylation reagent [Term] id: XLMOD:07099 name: 2,2,3,3,3-Pentafluoro-1-propanol def: "2,2,3,3,3-Pentafluoro-1-propanol." [CAS:422-05-9, PubChem_Compound:9872, ChemSpiderID:9488, ChemicalBookNo:CB9689963] is_a: XLMOD:06002 ! alkylation reagent [Term] id: XLMOD:07100 name: 2,3,5,6-Tetrafluoro-4-ethanol(trifluoromethyl)benzyl bromide def: "2,3,5,6-Tetrafluoro-4-ethanol(trifluoromethyl)benzyl bromide." [CAS:76437-40-6, PubChem_Compound:127137, ChemSpiderID:112859, ChemicalBookNo:CB1682115] is_a: XLMOD:06002 ! alkylation reagent relationship: has_reactive_group XLMOD:00168 ! benzyl bromide reactive group [Term] id: XLMOD:07101 name: 2,3-Dihydroxy-biphenyl def: "2,3-Dihydroxy-biphenyl." [CAS:1133-63-7, PubChem_Compound:254, ChemSpiderID:249, ChemicalBookNo:CB0302647] is_a: XLMOD:06002 ! alkylation reagent [Term] id: XLMOD:07102 name: O-(2,3,4,5,6-Pentafluorobenzyl)hydroxylamine hydrochloride def: "O-(2,3,4,5,6-Pentafluorobenzyl)hydroxylamine hydrochloride." [CAS:57981-02-9, PubChem_Compound:122307, ChemSpiderID:109062, ChemicalBookNo:CB8307815] synonym: "Florox reagent" EXACT [] is_a: XLMOD:06002 ! alkylation reagent [Term] id: XLMOD:07103 name: pentafluoroiodoethane def: "Pentafluoroiodoethane." [CAS:354-64-3, PubChem_Compound:9636, ChemSpiderID:9259, ChemicalBookNo:CB1226715] is_a: XLMOD:06002 ! alkylation reagent [Term] id: XLMOD:07104 name: tetrabutylammoniumtetrabutylborate def: "Tetrabutylammoniumtetrabutylborate." [CAS:23231-91-6, PubChem_Compound:11123692, ChemSpiderID:9298821, ChemicalBookNo:CB9765711] is_a: XLMOD:06002 ! alkylation reagent [Term] id: XLMOD:07105 name: trimethylboroxine def: "Trimethylboroxine." [CAS:823-96-1, PubChem_Compound:574072, ChemSpiderID:499140, ChemicalBookNo:499140] is_a: XLMOD:06002 ! alkylation reagent [Term] id: XLMOD:07107 name: boron trifluoride propanol def: "Boron trifluoride propanol." [CAS:762-48-1, ChemSpiderID:11428571, ChemicalBookNo:CB7289428] synonym: "BF3-propanol" EXACT [] is_a: XLMOD:06016 ! boron trifluoride reagent [Term] id: XLMOD:07108 name: 4-Bromobenzyl bromide def: "4-Bromobenzyl bromide." [CAS:589-15-1, PubChem_Compound:68527, ChemSpiderID:61802, ChemicalBookNo:CB8313784] is_a: XLMOD:06020 ! arylation reagent relationship: has_reactive_group XLMOD:00168 ! benzyl bromide reactive group [Term] id: XLMOD:07109 name: N,N-Dimethylformamidediethyl acetal def: "N,N-Dimethylformamidediethyl acetal." [CAS:1188-33-6, PubChem_Compound:70913, ChemSpiderID:64076, ChemicalBookNo:CB6665913] synonym: "1,1-Diethoxy-N,N-dimethylmethanamine" EXACT [] is_a: XLMOD:06017 ! N,N-Dimethylformamidedialkyl acetal [Term] id: XLMOD:07110 name: N,N-Dimethylformamidedibutyl acetal def: "N,N-Dimethylformamidedibutyl acetal." [CAS:18503-90-7, PubChem_Compound:87683, ChemSpiderID:79103, ChemicalBookNo:CB8770217] synonym: "1,1-Dibutoxy-N,N-dimethylmethanamine" EXACT [] is_a: XLMOD:06017 ! N,N-Dimethylformamidedialkyl acetal [Term] id: XLMOD:07111 name: N,N-Dimethylformamidediisopropyl acetal def: "N,N-Dimethylformamidediisopropyl acetal." [CAS:18503-89-4, PubChem_Compound:87682, ChemSpiderID:79102, ChemicalBookNo:CB1137822] is_a: XLMOD:06017 ! N,N-Dimethylformamidedialkyl acetal [Term] id: XLMOD:07112 name: N,N-Dimethylformamidedineopentyl acetal def: "N,N-Dimethylformamidedineopentyl acetal." [CAS:4909-78-8, PubChem_Compound:78623, ChemSpiderID:70980, ChemicalBookNo:CB1335538] is_a: XLMOD:06017 ! N,N-Dimethylformamidedialkyl acetal [Term] id: XLMOD:07113 name: N,N-Dimethylformamidedipropyl acetal def: "N,N-Dimethylformamidedipropyl acetal." [CAS:6006-65-1, PubChem_Compound:80105, ChemSpiderID:72355, ChemicalBookNo:CB4137823] is_a: XLMOD:06017 ! N,N-Dimethylformamidedialkyl acetal [Term] id: XLMOD:07114 name: N,N-Dimethylformamidedi-tert-butyl acetal def: "N,N-Dimethylformamidedi-tert-butyl acetal." [CAS:36805-97-7, PubChem_Compound:547712, ChemSpiderID:476708, ChemicalBookNo:CB5296219] is_a: XLMOD:06017 ! N,N-Dimethylformamidedialkyl acetal [Term] id: XLMOD:07115 name: nonafluoro-1-iodobutane def: "Nonafluoro-1-iodobutane." [CAS:423-39-2, PubChem_Compound:67917, ChemSpiderID:61234, ChemicalBookNo:CB9474482] synonym: "Perfluorobutyl iodide" EXACT [] synonym: "1-Iodoperfluorobutane" EXACT [] is_a: XLMOD:06002 ! alkylation reagent [Term] id: XLMOD:07116 name: triethyloxonium tetrafluoroborate def: "Triethyloxonium tetrafluoroborate." [CAS:368-39-8, PubChem_Compound:2723982, ChemSpiderID:2006158, ChemicalBookNo:CB0198800] is_a: XLMOD:06019 ! trialkyloxonium reagent [Term] id: XLMOD:07117 name: 2,2,2-Trichloroethanol def: "2,2,2-Trichloroethanol." [CAS:115-20-8, PubChem_Compound:8259, ChemSpiderID:7961, ChemicalBookNo:CB7257753] is_a: XLMOD:06002 ! alkylation reagent [Term] id: XLMOD:07118 name: triethyloxonium hexafluorophosphate def: "Triethyloxonium hexafluorophosphate." [CAS:17950-40-2, PubChem_Compound:167684, ChemSpiderID:146692, ChemicalBookNo:CB4151711] is_a: XLMOD:06019 ! trialkyloxonium reagent [Term] id: XLMOD:07119 name: 2,2,2-Trifluoroethanol def: "2,2,2-Trifluoroethanol." [CAS:75-89-8, PubChem_Compound:6409, ChemSpiderID:21106169, ChemicalBookNo:CB5736665] is_a: XLMOD:06002 ! alkylation reagent [Term] id: XLMOD:07120 name: trimethyloxonium tetrafluoroborate def: "Trimethyloxonium tetrafluoroborate." [CAS:420-37-1, PubChem_Compound:2735153, ChemSpiderID:2016863, ChemicalBookNo:CB3184284] is_a: XLMOD:06019 ! trialkyloxonium reagent [Term] id: XLMOD:07121 name: 2,2-Dimethoxypropane def: "2,2-Dimethoxypropane." [CAS:77-76-9, PubChem_Compound:6495, ChemSpiderID:21106033, ChemicalBookNo:CB9373512] is_a: XLMOD:06002 ! alkylation reagent [Term] id: XLMOD:07122 name: 4-Tolylsulfonylmethylnitrosamide def: "4-Tolylsulfonylmethylnitrosamide." [CAS:80-11-5, PubChem_Compound:6628, ChemSpiderID:6376, ChemicalBookNo:CB7663729] synonym: "Diazald" EXACT [] synonym: "N-Methyl-N-nitrosotoluene-4-sulphonamide" EXACT [] is_a: XLMOD:06002 ! alkylation reagent [Term] id: XLMOD:07123 name: 18-Crown-6 def: "18-Crown-6." [CAS:17455-13-9, PubChem_Compound:28557, ChemSpiderID:26563, ChemicalBookNo:CB4445218] is_a: XLMOD:06002 ! alkylation reagent [Term] id: XLMOD:07124 name: 3-Aminopropyltriethoxysilane def: "3-Aminopropyltriethoxysilane." [CAS:919-30-2, PubChem_Compound:13521, ChemSpiderID:12933, ChemicalBookNo:CB8686147] synonym: "APTES" EXACT [] is_a: XLMOD:06003 ! silylation reagent [Term] id: XLMOD:09000 name: dansyl chloride def: "Dansyl chloride." [CAS:605-65-2, PubChem_Compound:14513518, ChemSpiderID:11308, ChemicalBookNo:CB5696240, PMID:23524938] synonym: "DNS-Cl" EXACT [] synonym: "5-dimethylamino-1-naphthalenesulfonyl chloride" EXACT [] is_a: XLMOD:06010 ! LCMS derivatization reagent relationship: has_reactive_group XLMOD:00156 ! sulfonyl chloride relationship: is_reactive_with XLMOD:06512 ! steroid reactive relationship: is_reactive_with XLMOD:06515 ! nucleoside reactive [Term] id: XLMOD:09001 name: picolinic acid def: "Picolinic acid." [CAS:98-98-6, PubChem_Compound:1018, ChemSpiderID:993, ChemicalBookNo:CB8196640, PMID:23524938] synonym: "PA" EXACT [] is_a: XLMOD:06010 ! LCMS derivatization reagent relationship: is_reactive_with XLMOD:00032 ! hydroxyl reactive relationship: is_reactive_with XLMOD:06509 ! phenol reactive relationship: is_reactive_with XLMOD:06512 ! steroid reactive [Term] id: XLMOD:09002 name: fusaric acid def: "Fusaric acid." [CAS:536-69-6, PubChem_Compound:3442, ChemSpiderID:3324, ChemicalBookNo:CB4689029, PMID:23524938] synonym: "FA" EXACT [] is_a: XLMOD:06010 ! LCMS derivatization reagent relationship: is_reactive_with XLMOD:00032 ! hydroxyl reactive relationship: is_reactive_with XLMOD:06509 ! phenol reactive [Term] id: XLMOD:09003 name: dimethylglycine def: "Dimethylglycine." [CAS:1118-68-9, PubChem_Compound:673, ChemSpiderID:653, ChemicalBookNo:1118-68-9, PMID:23524938] synonym: "N,N-Dimethylglycine" EXACT [] is_a: XLMOD:06010 ! LCMS derivatization reagent relationship: is_reactive_with XLMOD:00032 ! hydroxyl reactive relationship: is_reactive_with XLMOD:06509 ! phenol reactive [Term] id: XLMOD:09004 name: isonicotinoyl azide def: "Isonicotinoyl azide." [PubChem_Compound:11701058, ChemSpiderID:9875783, ChemicalBookNo:CB1385038, PMID:23524938, PMID:26454158] synonym: "INA" EXACT [] synonym: "Pyridine-4-carbonyl azide" EXACT [] is_a: XLMOD:06010 ! LCMS derivatization reagent relationship: is_reactive_with XLMOD:00032 ! hydroxyl reactive relationship: is_reactive_with XLMOD:06509 ! phenol reactive relationship: is_reactive_with XLMOD:06512 ! steroid reactive [Term] id: XLMOD:09005 name: NA-NHS ester def: "N-hydroxysuccinimide esters of N-alkyl(C1-C4)nicotinic acids." [PMID:16808485, PMID:22575224] is_a: XLMOD:06010 ! LCMS derivatization reagent [Term] id: XLMOD:09006 name: 2-fluoro-1-methylpyridinium p-toluenesulfonate def: "2-fluoro-1-methylpyridinium p-toluenesulfonate." [CAS:58086-67-2, ChemSpiderID:150036, ChemicalBookNo:CB1142305, PMID:23524938] synonym: "FMP" EXACT [] is_a: XLMOD:06010 ! LCMS derivatization reagent relationship: has_reactive_group XLMOD:00165 ! sulfonate relationship: is_reactive_with XLMOD:00032 ! hydroxyl reactive relationship: is_reactive_with XLMOD:06509 ! phenol reactive relationship: is_reactive_with XLMOD:06512 ! steroid reactive [Term] id: XLMOD:09007 name: 3-nitrophthalic anhydride def: "3-nitrophthalic anhydride." [CAS:641-70-3, PubChem_Compound:21631, ChemSpiderID:20330, ChemicalBookNo:CB8116378, PMID:7802865, PMID:23524938] is_a: XLMOD:06010 ! LCMS derivatization reagent relationship: has_reactive_group XLMOD:00166 ! anhydride [Term] id: XLMOD:09008 name: 2-hydrazino-1-methylpyridine def: "2-hydrazino-1-methylpyridine." [ChemSpiderID:21376238, PMID:23524938] synonym: "HMP" EXACT [] is_a: XLMOD:06010 ! LCMS derivatization reagent relationship: has_reactive_group XLMOD:00159 ! hydrazine relationship: is_reactive_with XLMOD:06512 ! steroid reactive [Term] id: XLMOD:09009 name: 2-hydrazinopyridine def: "2-hydrazinopyridine." [CAS:4930-98-7, PubChem_Compound:78645, ChemSpiderID:71000, ChemicalBookNo:CB0389206, PMID:23524938, PMID:26454158] synonym: "HP" EXACT [] is_a: XLMOD:06010 ! LCMS derivatization reagent relationship: has_reactive_group XLMOD:00159 ! hydrazine relationship: is_reactive_with XLMOD:06512 ! steroid reactive [Term] id: XLMOD:09010 name: dansyl hydrazine def: "Dansyl hydrazine." [CAS:33008-06-9, PubChem_Compound:94442, ChemSpiderID:85229, ChemicalBookNo:CB9236754, PMID:23524938] synonym: "Dns-Hz" EXACT [] synonym: "DH" EXACT [] synonym: "5-dimethylaminonaphthalene-1-sulfonyl hydrazine" EXACT [] synonym: "5-(Dimethylamino)-1-naphthalenesulfonohydrazide" EXACT [] is_a: XLMOD:06010 ! LCMS derivatization reagent relationship: has_reactive_group XLMOD:00159 ! hydrazine [Term] id: XLMOD:09011 name: Girard's reagent P def: "Pyridinioacetohydrazide chloride." [CAS:1126-58-5, PubChem_Compound:70773, ChemSpiderID:63938, ChemicalBookNo:CB2285753, PMID:23524938] synonym: "Gir P" EXACT [] synonym: "GP" EXACT [] synonym: "1-(carboxymethyl)pyridium chloride hydrazide" EXACT [] synonym: "1-(2-hydrazino-2-oxoethyl)pyridinium chloride" EXACT [] is_a: XLMOD:06010 ! LCMS derivatization reagent relationship: has_reactive_group XLMOD:00110 ! hydrazide relationship: is_reactive_with XLMOD:06512 ! steroid reactive [Term] id: XLMOD:09012 name: Girard's reagent T def: "Betaine Hydrazide Hydrochloride." [CAS:123-46-6, PubChem_Compound:67156, ChemSpiderID:60501, ChemicalBookNo:CB9414297, PMID:23524938] synonym: "Gir T" EXACT [] synonym: "GT" EXACT [] synonym: "1-(carboxymethyl)trimethylammonium chloride hydrazide" EXACT [] is_a: XLMOD:06010 ! LCMS derivatization reagent relationship: has_reactive_group XLMOD:00110 ! hydrazide relationship: is_reactive_with XLMOD:06515 ! nucleoside reactive [Term] id: XLMOD:09013 name: 2,4-dinitrophenylhydrazine def: "2,4-dinitrophenylhydrazine." [CAS:119-26-6, PubChem_Compound:3772977, ChemSpiderID:3001507, ChemicalBookNo:CB4852908, PMID:23524938] synonym: "DNPH" EXACT [] is_a: XLMOD:06010 ! LCMS derivatization reagent relationship: has_fluorophore XLMOD:06104 ! 2,4-dinitrophenyl relationship: has_reactive_group XLMOD:00159 ! hydrazine [Term] id: XLMOD:09014 name: hydroxylamine def: "Hydroxylamine." [CAS:7803-49-8, PubChem_Compound:787, ChemSpiderID:766, ChemicalBookNo:CB3345090, PMID:23524938] synonym: "HA" EXACT [] is_a: XLMOD:06010 ! LCMS derivatization reagent relationship: has_reactive_group XLMOD:00133 ! amine reactive group relationship: is_reactive_with XLMOD:00030 ! carboxyl reactive relationship: is_reactive_with XLMOD:00031 ! aldehyde reactive relationship: is_reactive_with XLMOD:06510 ! ketone reactive relationship: is_reactive_with XLMOD:06512 ! steroid reactive [Term] id: XLMOD:09015 name: 4-[2-(Trimethylammonio)ethoxy]anilinium dibromide def: "4-[2-(Trimethylammonio)ethoxy]anilinium dibromide." [CAS:1076196-38-7, ChemSpiderID:29342342, ChemicalBookNo:CB32747247, PMID:23524938] synonym: "4-APC" EXACT [] is_a: XLMOD:06010 ! LCMS derivatization reagent relationship: is_reactive_with XLMOD:00031 ! aldehyde reactive relationship: is_reactive_with XLMOD:06510 ! ketone reactive [Term] id: XLMOD:09016 name: 4-(2-((4-bromophenethyl)dimethylammonio)ethoxy)benzenaminium dibromide def: "4-(2-((4-bromophenethyl)dimethylammonio)ethoxy)benzenaminium dibromide." [CAS:197305-97-8, PubChem_Compound:91826487, ChemSpiderID:1064766, ChemicalBookNo:CB7444959, PMID:23524938] synonym: "4-APEBA" EXACT [] is_a: XLMOD:06010 ! LCMS derivatization reagent relationship: is_reactive_with XLMOD:00030 ! carboxyl reactive relationship: is_reactive_with XLMOD:00031 ! aldehyde reactive relationship: is_reactive_with XLMOD:06510 ! ketone reactive [Term] id: XLMOD:09017 name: D-Cysteine def: "D-Cysteine." [CAS:921-01-7, PubChem_Compound:92851, ChemSpiderID:83819, ChemicalBookNo:CB4407452, PMID:23524938] is_a: XLMOD:06009 ! chiral derivatization reagent is_a: XLMOD:06010 ! LCMS derivatization reagent relationship: is_reactive_with XLMOD:00031 ! aldehyde reactive relationship: is_reactive_with XLMOD:06510 ! ketone reactive [Term] id: XLMOD:09018 name: 2-Picolylamine def: "2-Picolylamine." [CAS:3731-51-9, PubChem_Compound:19509, ChemSpiderID:18383, ChemicalBookNo:CB8853569, PMID:23524938] synonym: "2-PA" EXACT [] is_a: XLMOD:06010 ! LCMS derivatization reagent relationship: is_reactive_with XLMOD:00030 ! carboxyl reactive [Term] id: XLMOD:09019 name: 3-Picolylamine def: "3-Picolylamine." [CAS:3731-52-0, PubChem_Compound:31018, ChemSpiderID:28777, ChemicalBookNo:CB2284635, PMID:23524938] synonym: "3-PA" EXACT [] is_a: XLMOD:06010 ! LCMS derivatization reagent relationship: is_reactive_with XLMOD:00030 ! carboxyl reactive [Term] id: XLMOD:09020 name: 3-picolylcarbinol def: "3-picolylcarbinol." [ChemSpiderID:72714, PMID:23524938] is_a: XLMOD:06010 ! LCMS derivatization reagent relationship: is_reactive_with XLMOD:00030 ! carboxyl reactive [Term] id: XLMOD:09021 name: 3-Hydroxy-1-methyl-piperidine def: "3-Hydroxy-1-methyl-piperidine." [CAS:3554-74-3, PubChem_Compound:98016, ChemSpiderID:88489, ChemicalBookNo:CB7340664, PMID:23524938] is_a: XLMOD:06010 ! LCMS derivatization reagent relationship: is_reactive_with XLMOD:00030 ! carboxyl reactive [Term] id: XLMOD:09022 name: 3-(Hydroxymethyl)-pyridine def: "3-(Hydroxymethyl)-pyridine." [CAS:100-55-0, PubChem_Compound:7510, ChemSpiderID:7229, ChemicalBookNo:CB6384809, PMID:23524938] is_a: XLMOD:06010 ! LCMS derivatization reagent relationship: is_reactive_with XLMOD:00030 ! carboxyl reactive [Term] id: XLMOD:09023 name: 4-Diazomethylpyridine def: "4-Diazomethylpyridine." [CAS:26363-69-9, PubChem_Compound:12066686, ChemSpiderID:57445102, PMID:23524938] is_a: XLMOD:06010 ! LCMS derivatization reagent relationship: is_reactive_with XLMOD:00030 ! carboxyl reactive [Term] id: XLMOD:09024 name: 4-[2-(N,Ndimethylamino)ethylaminosulfonyl]-7-(2-aminoethylamino)-2,1,3-benzoxadiazole def: "4-[2-(N,Ndimethylamino)ethylaminosulfonyl]-7-(2-aminoethylamino)-2,1,3-benzoxadiazole." [CAS:913253-56-2, PubChem_Compound:91247932, ChemSpiderID:21377953, ChemicalBookNo:CB62720627, PMID:23524938] synonym: "DAABD-AE" EXACT [] is_a: XLMOD:06010 ! LCMS derivatization reagent relationship: has_reactive_group XLMOD:00157 ! benzofurazan relationship: is_reactive_with XLMOD:06503 ! amino acid reactive [Term] id: XLMOD:09025 name: 1-Butanol hydrochloride def: "1-Butanol hydrochloride." [ChemSpiderID:13206062, PMID:23524938] synonym: "Butanol + HCl" EXACT [] is_a: XLMOD:06010 ! LCMS derivatization reagent relationship: is_reactive_with XLMOD:00030 ! carboxyl reactive [Term] id: XLMOD:09026 name: fluorenylmethyloxycarbonyl chloride def: "Fluorenylmethyloxycarbonyl chloride." [CAS:28920-43-6, PubChem_Compound:34367, ChemSpiderID:31647, ChemicalBookNo:CB7234569, PMID:23524938] synonym: "FMOC-Cl" EXACT [] synonym: "1-(9-Fluorenyl)methyl chloroformate" EXACT [] is_a: XLMOD:06018 ! chloroformate reagent [Term] id: XLMOD:09027 name: N-Methyl-2-phenylethanamide def: "N-Methyl-2-phenylethanamide." [CAS:6830-82-6, PubChem_Compound:81274, ChemSpiderID:73329, ChemicalBookNo:CB4717700, PMID:23524938] is_a: XLMOD:06010 ! LCMS derivatization reagent relationship: is_reactive_with XLMOD:00030 ! carboxyl reactive [Term] id: XLMOD:09028 name: 2-Bromo-1-(4-(dimethylamino)phenyl)ethanone def: "2-Bromo-1-(4-(dimethylamino)phenyl)ethanone." [CAS:37904-72-6, PubChem_Compound:142225, ChemSpiderID:125460, ChemicalBookNo:CB4113692, PMID:23524938] is_a: XLMOD:06010 ! LCMS derivatization reagent relationship: is_reactive_with XLMOD:00030 ! carboxyl reactive [Term] id: XLMOD:09029 name: 6-aminoquinolyl-N-hydroxysuccinimidyl carbamate def: "6-aminoquinolyl-N-hydroxysuccinimidyl carbamate." [ChemSpiderID:2043270, PMID:23524938, PMID:16384748] synonym: "6-ACQ" EXACT [] is_a: XLMOD:06010 ! LCMS derivatization reagent relationship: has_reactive_group XLMOD:00164 ! carbamate [Term] id: XLMOD:09030 name: 3-Pyridyl isothiocyanate def: "3-Pyridyl isothiocyanate." [CAS:17452-27-6, PubChem_Compound:2737242, ChemSpiderID:2018885, ChemicalBookNo:CB4371720, PMID:23524938] synonym: "3-Isothiocyanatopyridine" EXACT [] is_a: XLMOD:06010 ! LCMS derivatization reagent relationship: has_reactive_group XLMOD:00162 ! isothiocyanate [Term] id: XLMOD:09031 name: phenyl isothiocyanate def: "Phenyl isothiocyanate." [CAS:103-72-0, PubChem_Compound:7673, ChemSpiderID:7390, ChemicalBookNo:CB5733806, PMID:23524938, PMID:26496130] synonym: "PITC" EXACT [] synonym: "Edman's reagent" EXACT [] is_a: XLMOD:06010 ! LCMS derivatization reagent relationship: has_reactive_group XLMOD:00162 ! isothiocyanate [Term] id: XLMOD:09032 name: isobutyl chloroformate def: "Isobutyl chloroformate." [CAS:543-27-1, PubChem_Compound:62365, ChemSpiderID:56154, ChemicalBookNo:CB7165612, PMID:23524938] synonym: "IBCF" EXACT [] synonym: "i-BuCF" EXACT [] is_a: XLMOD:06018 ! chloroformate reagent relationship: is_reactive_with XLMOD:06511 ! biphosphonate drug reactive [Term] id: XLMOD:09033 name: 4-(N,N-Dimethylaminosulfonyl)-7-fluoro-2,1,3-benzoxadiazole def: "4-(N,N-Dimethylaminosulfonyl)-7-fluoro-2,1,3-benzoxadiazole." [CAS:98358-90-8, PubChem_Compound:126917, ChemSpiderID:112705, ChemicalBookNo:CB3366336, PMID:23524938, PMID:27582321] synonym: "DBD-F" EXACT [] is_a: XLMOD:06010 ! LCMS derivatization reagent relationship: has_property XLMOD:00015 ! fluorescent relationship: has_reactive_group XLMOD:00158 ! halobenzofurazan relationship: is_reactive_with XLMOD:00028 ! primary amine reactive relationship: is_reactive_with XLMOD:06513 ! thiol reactive [Term] id: XLMOD:09034 name: 4-Bromophenacyl bromide def: "4-Bromophenacyl bromide." [CAS:99-73-0, PubChem_Compound:7454, ChemSpiderID:7174, ChemicalBookNo:CB4239093, PMID:23524938] synonym: "BPBr" EXACT [] synonym: "p-Bromophenacyl bromide" EXACT [] is_a: XLMOD:06010 ! LCMS derivatization reagent relationship: has_fluorophore XLMOD:06111 ! 4-bromophenacyl relationship: is_reactive_with XLMOD:00028 ! primary amine reactive relationship: is_reactive_with XLMOD:06522 ! perfluorinated carboxylic acid reactive [Term] id: XLMOD:09035 name: ethyl bromoacetate def: "Ethyl bromoacetate." [CAS:105-36-2, PubChem_Compound:7748, ChemSpiderID:7462, ChemicalBookNo:CB6852654, PMID:23524938] is_a: XLMOD:06010 ! LCMS derivatization reagent relationship: is_reactive_with XLMOD:00028 ! primary amine reactive [Term] id: XLMOD:09036 name: (2-[4-aminophenoxy]ethyl)trimethylammonium bromide def: "(2-[4-aminophenoxy]ethyl)trimethylammonium bromide." [ChemSpiderID:24770517, PMID:22191594] is_a: XLMOD:06010 ! LCMS derivatization reagent relationship: is_reactive_with XLMOD:00031 ! aldehyde reactive [Term] id: XLMOD:09037 name: hydroxylammonium chloride def: "Hydroxylammonium chloride." [CAS:5470-11-1, PubChem_Compound:443297, ChemSpiderID:391543, ChemicalBookNo:CB8128885, PMID:22191594] is_a: XLMOD:06010 ! LCMS derivatization reagent relationship: is_reactive_with XLMOD:00031 ! aldehyde reactive [Term] id: XLMOD:09038 name: 4-Bromobenzenesulfonyl chloride def: "4-Bromobenzenesulfonyl chloride." [CAS:98-58-8, ChemSpiderID:7118, ChemicalBookNo:CB8443863, PMID:22191594] is_a: XLMOD:06010 ! LCMS derivatization reagent relationship: has_reactive_group XLMOD:00156 ! sulfonyl chloride [Term] id: XLMOD:09039 name: 7-fluoro-4-nitrobenzoxadiazole def: "7-fluoro-4-nitrobenzoxadiazole." [PubChem_Compound:53744831, ChemSpiderID:21375215, PMID:22191594] synonym: "NBD-F" EXACT [] is_a: XLMOD:06010 ! LCMS derivatization reagent relationship: is_reactive_with XLMOD:00028 ! primary amine reactive relationship: is_reactive_with XLMOD:06503 ! amino acid reactive [Term] id: XLMOD:09040 name: diacetyl-L-tartaric anhydride def: "Diacetyl-L-tartaric anhydride." [CAS:6283-74-5, PubChem_Compound:102020809, ChemSpiderID:448369, ChemicalBookNo:CB0717661, PMID:22191594, PMID:26496130] synonym: "DATAN" EXACT [] synonym: "DATAAN" EXACT [] is_a: XLMOD:06010 ! LCMS derivatization reagent relationship: has_reactive_group XLMOD:00166 ! anhydride relationship: is_reactive_with XLMOD:06503 ! amino acid reactive [Term] id: XLMOD:09041 name: pentafluorophenacyl trifluoromethanesulfonate def: "Pentafluorophenacyl trifluoromethanesulfonate." [PubChem_Compound:86038332, PMID:22191594] is_a: XLMOD:06010 ! LCMS derivatization reagent relationship: has_fluorophore XLMOD:06110 ! phenacyl relationship: has_reactive_group XLMOD:00165 ! sulfonate relationship: is_reactive_with XLMOD:06503 ! amino acid reactive [Term] id: XLMOD:09042 name: propyl chloroformate def: "Propyl chloroformate." [CAS:109-61-5, PubChem_Compound:7998, ChemSpiderID:7707, ChemicalBookNo:CB9852781, PMID:22191594] synonym: "PrCl" EXACT [] is_a: XLMOD:06018 ! chloroformate reagent [Term] id: XLMOD:09043 name: 12,4-dinitrofluorobenzene def: "12,4-dinitrofluorobenzene." [CAS:70-34-8, PubChem_Compound:6264, ChemSpiderID:21106037, ChemicalBookNo:CB9442373, PMID:22191594] is_a: XLMOD:06010 ! LCMS derivatization reagent relationship: is_reactive_with XLMOD:00028 ! primary amine reactive relationship: is_reactive_with XLMOD:06503 ! amino acid reactive [Term] id: XLMOD:09044 name: trimethylsilyldiazomethane def: "Trimethylsilyldiazomethane." [CAS:18107-18-1, PubChem_Compound:167693, ChemSpiderID:146699, ChemicalBookNo:CB9432840, PMID:22191594, PMID:19525080] synonym: "TMS-DAM" EXACT [] synonym: "TMS-DM" EXACT [] is_a: XLMOD:06010 ! LCMS derivatization reagent is_a: XLMOD:06013 ! TMS reagent relationship: is_reactive_with XLMOD:06511 ! biphosphonate drug reactive [Term] id: XLMOD:09045 name: trimethyl orthoacetate def: "1,1,1-Trimethoxyethane." [CAS:1445-45-0, PubChem_Compound:15050, ChemSpiderID:14322, ChemicalBookNo:CB5759743, PMID:22191594] is_a: XLMOD:06010 ! LCMS derivatization reagent relationship: is_reactive_with XLMOD:06511 ! biphosphonate drug reactive [Term] id: XLMOD:09046 name: 3-(Perfluorooctyl)propylamine def: "3-(Perfluorooctyl)propylamine." [CAS:139175-50-1, PubChem_Compound:10743224, ChemSpiderID:8918555, ChemicalBookNo:CB8736444, PMID:22191594] synonym: "Heptadecafluoroundecylamine" EXACT [] is_a: XLMOD:06010 ! LCMS derivatization reagent relationship: is_reactive_with XLMOD:00030 ! carboxyl reactive [Term] id: XLMOD:09047 name: dimethylaminoethanol def: "Dimethylaminoethanol." [CAS:108-01-0, PubChem_Compound:7902, ChemSpiderID:8488535, ChemicalBookNo:CB6256870, PMID:22191594, PMID:26477276] synonym: "DMAE" EXACT [] synonym: "Deanol" EXACT [] is_a: XLMOD:06010 ! LCMS derivatization reagent relationship: is_reactive_with XLMOD:00030 ! carboxyl reactive [Term] id: XLMOD:09048 name: 4-nitrobenzyl bromide def: "4-nitrobenzyl bromide." [CAS:100-11-8, PubChem_Compound:66011, ChemSpiderID:59402, ChemicalBookNo:CB5485712, PMID:3394930] synonym: "4-NBB" EXACT [] synonym: "p-nitrobenzyl bromide" EXACT [] is_a: XLMOD:06020 ! arylation reagent is_a: XLMOD:06010 ! LCMS derivatization reagent relationship: has_reactive_group XLMOD:00168 ! benzyl bromide reactive group [Term] id: XLMOD:09049 name: 2,3-pyridinedicarboxylic anhydride def: "2,3-pyridinedicarboxylic anhydride." [CAS:699-98-9, ChemSpiderID:62889, ChemicalBookNo:CB5268658, PMID:22191594] synonym: "Furo(3,4-B)Pyridine-5,7-dione" EXACT [] is_a: XLMOD:06010 ! LCMS derivatization reagent relationship: has_reactive_group XLMOD:00166 ! anhydride relationship: is_reactive_with XLMOD:06512 ! steroid reactive [Term] id: XLMOD:09050 name: ethoxyamine hydrochloride def: "Ethoxyamine hydrochloride." [CAS:3332-29-4, PubChem_Compound:76850, ChemSpiderID:69303, ChemicalBookNo:CB0126027, PMID:22191594] synonym: "Ethylhydroxylamine hydrochloride" EXACT [] is_a: XLMOD:06002 ! alkylation reagent is_a: XLMOD:06010 ! LCMS derivatization reagent relationship: is_reactive_with XLMOD:06512 ! steroid reactive [Term] id: XLMOD:09051 name: 4-(N,N-Dimethylaminosulfonyl)-7-hydrazino-2,1,3-benzoxadiazole def: "4-(N,N-Dimethylaminosulfonyl)-7-hydrazino-2,1,3-benzoxadiazole." [CAS:131467-86-2, PubChem_Compound:131382, ChemSpiderID:116132, ChemicalBookNo:CB8688813, PMID:22191594] synonym: "DBD-H" EXACT [] synonym: "4-(N,N-Dimethylsulfamoyl)-7-hydrazino-benzofurazan" EXACT [] is_a: XLMOD:06010 ! LCMS derivatization reagent relationship: has_reactive_group XLMOD:00157 ! benzofurazan relationship: is_reactive_with XLMOD:06512 ! steroid reactive [Term] id: XLMOD:09052 name: 1-(5-Fluoro-2,4-dinitrophenyl)-4-methylpiperazine def: "1-(5-Fluoro-2,4-dinitrophenyl)-4-methylpiperazine." [ChemSpiderID:17350721, PMID:22191594, PMID:26454158] synonym: "PPZ" EXACT [] synonym: "1-(2,4-dinitro-5-fluorophenyl)-4-methylpiperazine" EXACT [] is_a: XLMOD:06010 ! LCMS derivatization reagent relationship: has_fluorophore XLMOD:06104 ! 2,4-dinitrophenyl relationship: is_reactive_with XLMOD:06512 ! steroid reactive [Term] id: XLMOD:09053 name: 4-nitrobenzoyl chloride def: "4-nitrobenzoyl chloride." [CAS:122-04-3, PubChem_Compound:8502, ChemSpiderID:8188, ChemicalBookNo:CB2182076, PMID:22191594] synonym: "4-NBC" EXACT [] is_a: XLMOD:06010 ! LCMS derivatization reagent relationship: has_reactive_group XLMOD:00155 ! acyl chloride relationship: is_reactive_with XLMOD:06512 ! steroid reactive [Term] id: XLMOD:09054 name: pyridine-3-sulfonyl chloride def: "Pyridine-3-sulfonyl chloride." [CAS:16133-25-8, PubChem_Compound:3164136, ChemSpiderID:2415634, ChemicalBookNo:CB5153121, PMID:26477276, PMID:22191594] synonym: "PSCl" EXACT [] synonym: "chloro-3-pyridylsulfone" EXACT [] synonym: "pyridinium-3-sulfonyl chloride" EXACT [] is_a: XLMOD:06010 ! LCMS derivatization reagent relationship: has_reactive_group XLMOD:00156 ! sulfonyl chloride relationship: is_reactive_with XLMOD:06512 ! steroid reactive [Term] id: XLMOD:09055 name: methyl acrylate def: "Methyl acrylate." [CAS:96-33-3, PubChem_Compound:7294, ChemSpiderID:7022, ChemicalBookNo:CB8669773, PMID:22191594] is_a: XLMOD:06010 ! LCMS derivatization reagent relationship: is_reactive_with XLMOD:06513 ! thiol reactive [Term] id: XLMOD:09056 name: iodoacetic acid def: "Iodoacetic acid." [CAS:64-69-7, PubChem_Compound:5240, ChemSpiderID:5050, ChemicalBookNo:CB3854071, PMID:22191594] is_a: XLMOD:06010 ! LCMS derivatization reagent relationship: is_reactive_with XLMOD:06513 ! thiol reactive [Term] id: XLMOD:09057 name: 2-Bromo-3'-methoxyacetophenone def: "2-Bromo-3'-methoxyacetophenone." [CAS:5000-65-7, PubChem_Compound:101294, ChemSpiderID:91526, ChemicalBookNo:CB3100727, PMID:22191594] is_a: XLMOD:06010 ! LCMS derivatization reagent relationship: is_reactive_with XLMOD:06513 ! thiol reactive [Term] id: XLMOD:09058 name: monobromobimane def: "Monobromobimane." [CAS:71418-44-5, PubChem_Compound:114810, ChemSpiderID:102775, ChemicalBookNo:CB0729365, PMID:22191594] is_a: XLMOD:06010 ! LCMS derivatization reagent relationship: is_reactive_with XLMOD:06513 ! thiol reactive [Term] id: XLMOD:09059 name: 4-bromo-phenacyl-bromide def: "4-bromo-phenacyl-bromide." [CAS:99-73-0, PubChem_Compound:7454, ChemSpiderID:7174, ChemicalBookNo:CB4239093, PMID:22191594] synonym: "p-BPB" EXACT [] synonym: "p-bromo-phenacyl-bromide" EXACT [] synonym: "2,4'-Dibromoacetophenone" EXACT [] is_a: XLMOD:06010 ! LCMS derivatization reagent relationship: has_fluorophore XLMOD:06111 ! 4-bromophenacyl relationship: is_reactive_with XLMOD:06513 ! thiol reactive [Term] id: XLMOD:09060 name: 4-bromomethyl-7-methoxycoumarin def: "4-bromomethyl-7-methoxycoumarin." [CAS:35231-44-8, PubChem_Compound:121894, ChemSpiderID:108742, ChemicalBookNo:CB6345309, PMID:22191594, PMID:15897015, PMID:19525080, PMID:3394930] synonym: "Br-MMC" EXACT [] synonym: "BrMMC" EXACT [] synonym: "BMC" EXACT [] is_a: XLMOD:06010 ! LCMS derivatization reagent relationship: has_property XLMOD:00015 ! fluorescent relationship: is_reactive_with XLMOD:00030 ! carboxyl reactive relationship: is_reactive_with XLMOD:06515 ! nucleoside reactive [Term] id: XLMOD:09061 name: Cookson type reagent def: "4-substituted 1,2,4-triazoline-3,5-dione (TAD)." [PMID:14598004] is_a: XLMOD:06010 ! LCMS derivatization reagent relationship: has_reactive_group XLMOD:00160 ! TAD [Term] id: XLMOD:09062 name: 4-(4'-dimethylaminophenyl)-1,2,4-triazoline-3,5-dione def: "4-(4'-dimethylaminophenyl)-1,2,4-triazoline-3,5-dione." [PMID:24097402] synonym: "DAPTAD" EXACT [] is_a: XLMOD:09061 ! Cookson type reagent relationship: has_reactive_group XLMOD:00160 ! TAD [Term] id: XLMOD:09063 name: 4-Phenyl-1,2,4-triazole-3,5-dione def: "4-Phenyl-1,2,4-triazole-3,5-dione." [CAS:4233-33-4, ChemSpiderID:70304, ChemicalBookNo:CB3769656, PMID:14598004, PMID:26454158] synonym: "PTAD" EXACT [] is_a: XLMOD:09061 ! Cookson type reagent relationship: has_reactive_group XLMOD:00160 ! TAD [Term] id: XLMOD:09064 name: 4-[2-(6,7-dimethoxy-4-methyl-3-oxo-3,4-dihydroquinoxalyl)ethyl]-TAD def: "4-[2-(6,7-dimethoxy-4-methyl-3-oxo-3,4-dihydroquinoxalyl)ethyl]-TAD." [CAS:132788-52-4, PubChem_Compound:131554, ChemSpiderID:116261, ChemicalBookNo:CB9453782, PMID:17077543, PMID:27511712] synonym: "DMEQTAD" EXACT [] is_a: XLMOD:09061 ! Cookson type reagent relationship: has_reactive_group XLMOD:00160 ! TAD [Term] id: XLMOD:09065 name: 4-[4-(6-methoxy-2-benzoxazolyl)phenyl]-1,2,4-triazoline-3,5-dione def: "4-[4-(6-methoxy-2-benzoxazolyl)phenyl]-1,2,4-triazoline-3,5-dione." [PMID:15897015, PMID:27511712] synonym: "MBOTAD" EXACT [] is_a: XLMOD:09061 ! Cookson type reagent relationship: has_reactive_group XLMOD:00160 ! TAD [Term] id: XLMOD:09066 name: 4-(4-Nitrophenyl)-1,2,4-triazole-3,5-dione def: "4-(4-Nitrophenyl)-1,2,4-triazole-3,5-dione." [CAS:13274-75-4, PubChem_Compound:11368000, ChemSpiderID:9542917, PMID:15897015] synonym: "NPTAD" EXACT [] is_a: XLMOD:09061 ! Cookson type reagent relationship: has_fluorophore XLMOD:06103 ! 4-nitrophenyl relationship: has_reactive_group XLMOD:00160 ! TAD [Term] id: XLMOD:09067 name: edaravone def: "Edaravone." [CAS:89-25-8, PubChem_Compound:4021, ChemSpiderID:3881, ChemicalBookNo:CB1287462, PMID:20382108] synonym: "PMP" EXACT [] synonym: "1-phenyl-3-methyl-5-pyrazolone" EXACT [] is_a: XLMOD:06010 ! LCMS derivatization reagent relationship: is_reactive_with XLMOD:00031 ! aldehyde reactive relationship: is_reactive_with XLMOD:06506 ! carbohydrate reactive relationship: is_reactive_with XLMOD:06510 ! ketone reactive [Term] id: XLMOD:09068 name: tris(trimethoxyphenyl)phosphonium compound def: "Tris(trimethoxyphenyl)phosphonium compound." [PMID:11857728] synonym: "TMPP compound" EXACT [] is_a: XLMOD:06010 ! LCMS derivatization reagent [Term] id: XLMOD:09069 name: 1S-pentafluorophenyl tris(2,4,6-trimethoxyphenyl)phosphonium acetate bromide def: "1S-pentafluorophenyl tris(2,4,6-trimethoxyphenyl)phosphonium acetate bromide." [PMID:12590398] synonym: "TMPP-AcPFP" EXACT [] is_a: XLMOD:06009 ! chiral derivatization reagent is_a: XLMOD:09068 ! tris(trimethoxyphenyl)phosphonium compound relationship: is_reactive_with XLMOD:00031 ! aldehyde reactive relationship: is_reactive_with XLMOD:00032 ! hydroxyl reactive relationship: is_reactive_with XLMOD:06510 ! ketone reactive [Term] id: XLMOD:09070 name: (4-hydrazino-4-oxobutyl) [tris(2,4,6-trimethoxyphenyl)phosphonium bromide def: "(4-hydrazino-4-oxobutyl) [tris(2,4,6-trimethoxyphenyl)phosphonium bromide." [PMID:12590398] synonym: "TMPP-PrG" EXACT [] is_a: XLMOD:09068 ! tris(trimethoxyphenyl)phosphonium compound relationship: has_reactive_group XLMOD:00159 ! hydrazine relationship: is_reactive_with XLMOD:00032 ! hydroxyl reactive [Term] id: XLMOD:09071 name: Tris(2,4,6,-trimethoxyphenyl)phosphonium acetic acid def: "Tris(2,4,6,-trimethoxyphenyl)phosphonium acetic acid." [PMID:19449318] synonym: "TMPP-AA" EXACT [] synonym: "TMPP-AcCOOH" EXACT [] is_a: XLMOD:09068 ! tris(trimethoxyphenyl)phosphonium compound relationship: is_reactive_with XLMOD:00031 ! aldehyde reactive relationship: is_reactive_with XLMOD:00032 ! hydroxyl reactive relationship: is_reactive_with XLMOD:06510 ! ketone reactive relationship: is_reactive_with XLMOD:06516 ! cholesterol reactive [Term] id: XLMOD:09072 name: Tris(2,4,6,-trimethoxyphenyl)phosphonium ethanoic acid bromide def: "Tris(2,4,6,-trimethoxyphenyl)phosphonium ethanoic acid bromide." [PMID:11857728] synonym: "TMPP-MeCOOH" EXACT [] is_a: XLMOD:09068 ! tris(trimethoxyphenyl)phosphonium compound relationship: is_reactive_with XLMOD:00031 ! aldehyde reactive relationship: is_reactive_with XLMOD:00032 ! hydroxyl reactive relationship: is_reactive_with XLMOD:06510 ! ketone reactive [Term] id: XLMOD:09073 name: Tris(2,4,6,-trimethoxyphenyl)phosphonium propionic acid bromide def: "Tris(2,4,6,-trimethoxyphenyl)phosphonium propionic acid bromide." [PMID:11857728] synonym: "TMPP-PrCOOH" EXACT [] is_a: XLMOD:09068 ! tris(trimethoxyphenyl)phosphonium compound relationship: is_reactive_with XLMOD:00031 ! aldehyde reactive relationship: is_reactive_with XLMOD:00032 ! hydroxyl reactive relationship: is_reactive_with XLMOD:06510 ! ketone reactive [Term] id: XLMOD:09074 name: Tris(2,4,6,-trimethoxyphenyl)phosphonium propylamine bromide def: "Tris(2,4,6,-trimethoxyphenyl)phosphonium propylamine bromide." [PMID:11857728] synonym: "TMPP-PrNH2" EXACT [] is_a: XLMOD:09068 ! tris(trimethoxyphenyl)phosphonium compound relationship: is_reactive_with XLMOD:00031 ! aldehyde reactive relationship: is_reactive_with XLMOD:00032 ! hydroxyl reactive relationship: is_reactive_with XLMOD:06510 ! ketone reactive [Term] id: XLMOD:09075 name: benzoic anhydride def: "Benzoic anhydride." [CAS:93-97-0, PubChem_Compound:7167, ChemSpiderID:6899, ChemicalBookNo:CB1260942, PMID:15897015] is_a: XLMOD:06010 ! LCMS derivatization reagent relationship: has_reactive_group XLMOD:00166 ! anhydride [Term] id: XLMOD:09076 name: propionic anhydride def: "Propionic anhydride." [CAS:123-62-6, PubChem_Compound:31263, ChemSpiderID:29003, ChemicalBookNo:CB7852974, PMID:15897015] is_a: XLMOD:06010 ! LCMS derivatization reagent relationship: has_reactive_group XLMOD:00166 ! anhydride [Term] id: XLMOD:09077 name: 4-toluenesulfonhydrazide def: "4-toluenesulfonhydrazide." [CAS:1576-35-8, PubChem_Compound:15303, ChemSpiderID:14566, ChemicalBookNo:CB6156664, PMID:15897015] synonym: "TSH" EXACT [] synonym: "4-Methylbenzenesulfonhydrazide" EXACT [] synonym: "p-toluenesulfonhydrazide" EXACT [] is_a: XLMOD:06010 ! LCMS derivatization reagent relationship: has_reactive_group XLMOD:00110 ! hydrazide [Term] id: XLMOD:09078 name: 2-(N,N-dimethyl-amino)ethyl acrylate def: "2-(N,N-dimethyl-amino)ethyl acrylate." [CAS:924-99-2, ChemSpiderID:16195, ChemicalBookNo:CB1468951, PMID:15897015] synonym: "DMAE acrylate" EXACT [] is_a: XLMOD:06010 ! LCMS derivatization reagent relationship: is_reactive_with XLMOD:06513 ! thiol reactive [Term] id: XLMOD:09079 name: 1-naphthylisothiocyanate def: "1-Naphthylisothiocyanate." [CAS:551-06-4, PubChem_Compound:11080, ChemSpiderID:10609, ChemicalBookNo:CB8696418, PMID:15897015] synonym: "NIT" EXACT [] is_a: XLMOD:06010 ! LCMS derivatization reagent relationship: has_reactive_group XLMOD:00162 ! isothiocyanate [Term] id: XLMOD:09080 name: sulfur trioxide pyridine complex def: "Sulfur trioxide pyridine complex." [CAS:26412-87-3, PubChem_Compound:168533, ChemSpiderID:147422, ChemicalBookNo:CB9284694, PMID:15897015] is_a: XLMOD:06010 ! LCMS derivatization reagent relationship: is_reactive_with XLMOD:00032 ! hydroxyl reactive [Term] id: XLMOD:09081 name: sulfur trioxide N,N-dimethyl-formamide complex def: "Sulfur trioxide N,N-dimethyl-formamide complex." [CAS:29584-42-7, PubChem_Compound:169056, ChemicalBookNo:CB0234621, PMID:15897015] is_a: XLMOD:06010 ! LCMS derivatization reagent relationship: is_reactive_with XLMOD:00032 ! hydroxyl reactive [Term] id: XLMOD:09082 name: 2-Acrylamido-2-methyl-1-propanesulfonic acid def: "2-acrylamino-2-methyl-propanesulfonic acid." [CAS:15214-89-8, PubChem_Compound:65360, ChemSpiderID:58836, ChemicalBookNo:CB3470952, PMID:15897015] synonym: "AMDSA" EXACT [] is_a: XLMOD:06010 ! LCMS derivatization reagent relationship: is_reactive_with XLMOD:06513 ! thiol reactive [Term] id: XLMOD:09083 name: benzyl chloride def: "Benzyl chloride." [CAS:100-44-7, PubChem_Compound:7503, ChemSpiderID:13840690, ChemicalBookNo:CB1852583, PMID:15897015] is_a: XLMOD:06010 ! LCMS derivatization reagent relationship: has_reactive_group XLMOD:00155 ! acyl chloride [Term] id: XLMOD:09084 name: acetic anhydride def: "Acetic anhydride." [CAS:108-24-7, PubChem_Compound:7918, ChemSpiderID:7630, PMID:15897015] synonym: "Ethanoic anhydride" EXACT [] is_a: XLMOD:06010 ! LCMS derivatization reagent relationship: has_reactive_group XLMOD:00166 ! anhydride [Term] id: XLMOD:09085 name: N-methyl-4-hydrazino-7-nitrobenzofurazan def: "N-methyl-4-hydrazino-7-nitrobenzofurazan." [CAS:214147-22-5, PubChem_Compound:3533602, ChemSpiderID:20171264, ChemicalBookNo:CB0111892, PMID:15897015] synonym: "MNBDH" EXACT [] synonym: "4-(1-Methylhydrazino)-7-nitrobenzofurazan" EXACT [] is_a: XLMOD:06010 ! LCMS derivatization reagent relationship: has_reactive_group XLMOD:00157 ! benzofurazan relationship: has_reactive_group XLMOD:00159 ! hydrazine [Term] id: XLMOD:09086 name: boron trifluoride methanol def: "Boron trifluoride methanol." [CAS:373-57-9, PubChem_Compound:11062313, ChemSpiderID:9237466, ChemicalBookNo:CB1184013, PMID:15897015] synonym: "BF3-methanol" EXACT [] is_a: XLMOD:06016 ! boron trifluoride reagent [Term] id: XLMOD:09088 name: (3-(2-nitro-4-trifluoromethylphenyl)aminophenyl)dihydroxyborane def: "(3-(2-nitro-4-trifluoromethylphenyl)aminophenyl)dihydroxyborane." [PMID:15897015] synonym: "2NFP-APB" EXACT [] is_a: XLMOD:06010 ! LCMS derivatization reagent relationship: is_reactive_with XLMOD:00032 ! hydroxyl reactive [Term] id: XLMOD:09089 name: 2-nitro-4-trifluoromethylphenylhydrazine def: "2-nitro-4-trifluoromethylphenylhydrazine." [CAS:1513-50-4, PubChem_Compound:3838097, ChemSpiderID:3063768, ChemicalBookNo:CB5751590, PMID:15897015] synonym: "NFPH" EXACT [] synonym: "2-NFPH" EXACT [] is_a: XLMOD:06010 ! LCMS derivatization reagent relationship: has_reactive_group XLMOD:00159 ! hydrazine [Term] id: XLMOD:09090 name: 4-chloro-7-nitro-2,1,3-benzoxadiazole def: "4-chloro-7-nitro-2,1,3-benzoxadiazole." [CAS:10199-89-0, PubChem_Compound:25043, ChemSpiderID:23406, ChemicalBookNo:CB5173637, PMID:15897015] synonym: "NBDCl" EXACT [] synonym: "4-Chloro-7-nitrobenzofurazan" EXACT [] is_a: XLMOD:06010 ! LCMS derivatization reagent relationship: has_reactive_group XLMOD:00158 ! halobenzofurazan [Term] id: XLMOD:09091 name: NBD-PZ Hydrochloride def: "NBD-PZ Hydrochloride." [CAS:374730-75-3, PubChem_Compound:71751110, ChemSpiderID:24746629, ChemicalBookNo:CB52558061, PMID:15897015] synonym: "4-Nitro-7-(1-piperazinyl)-2,1,3-benzoxadiazole hydrochloride" EXACT [] is_a: XLMOD:06010 ! LCMS derivatization reagent relationship: has_reactive_group XLMOD:00158 ! halobenzofurazan [Term] id: XLMOD:09092 name: sulfanilic acid def: "Sulfanilic acid." [CAS:121-57-3, PubChem_Compound:8479, ChemSpiderID:8166, ChemicalBookNo:CB1489237, PMID:7756703] synonym: "4-aminobenzenesulphonic acid" EXACT [] is_a: XLMOD:06010 ! LCMS derivatization reagent relationship: is_reactive_with XLMOD:00030 ! carboxyl reactive [Term] id: XLMOD:09093 name: 1-chloro-4-methylpyridinium iodide def: "1-chloro-4-methylpyridinium iodide." [ChemSpiderID:29321698, PMID:12621624] synonym: "CMPI" EXACT [] is_a: XLMOD:06010 ! LCMS derivatization reagent relationship: is_reactive_with XLMOD:00030 ! carboxyl reactive [Term] id: XLMOD:09094 name: 3-(2,5-dioxopyrrolidin-1-yl-oxycarbonyl)propyl]trimethylammonium chloride def: "3-(2,5-dioxopyrrolidin-1-yl-oxycarbonyl)propyl]trimethylammonium chloride." [PMID:22575224] synonym: "TMAB" EXACT [] is_a: XLMOD:06010 ! LCMS derivatization reagent relationship: is_reactive_with XLMOD:00028 ! primary amine reactive [Term] id: XLMOD:09095 name: N-methylnicotinic acid N-hydroxysuccinimide ester def: "N-methylnicotinic acid N-hydroxysuccinimide ester." [PMID:23524938, PMID:21382752] synonym: "C1-NA-NHS" EXACT [] is_a: XLMOD:09005 ! NA-NHS ester relationship: has_reactive_group XLMOD:00101 ! NHS ester relationship: is_reactive_with XLMOD:00028 ! primary amine reactive relationship: is_reactive_with XLMOD:00032 ! hydroxyl reactive relationship: is_reactive_with XLMOD:06503 ! amino acid reactive relationship: is_reactive_with XLMOD:06509 ! phenol reactive relationship: is_reactive_with XLMOD:06512 ! steroid reactive [Term] id: XLMOD:09096 name: deuterium labelled N-methylnicotinic acid N-hydroxysuccinimide ester def: "Deuterium labelled N-methylnicotinic acid N-hydroxysuccinimide ester." [PMID:23524938, PMID:23628173] synonym: "C1-NA-NHS-d3" EXACT [] synonym: "C1D3-NA-NHS" EXACT [] is_a: XLMOD:09005 ! NA-NHS ester relationship: has_reactive_group XLMOD:00101 ! NHS ester relationship: is_labelled XLMOD:00010 ! deuterium labelled relationship: is_reactive_with XLMOD:00028 ! primary amine reactive relationship: is_reactive_with XLMOD:00032 ! hydroxyl reactive relationship: is_reactive_with XLMOD:06503 ! amino acid reactive relationship: is_reactive_with XLMOD:06509 ! phenol reactive relationship: is_reactive_with XLMOD:06512 ! steroid reactive [Term] id: XLMOD:09097 name: N-propylnicotinic acid N-hydroxysuccinimide ester def: "N-propylnicotinic acid N-hydroxysuccinimide ester." [PMID:23524938] synonym: "C3-NA-NHS" EXACT [] is_a: XLMOD:09005 ! NA-NHS ester relationship: has_reactive_group XLMOD:00101 ! NHS ester relationship: is_reactive_with XLMOD:00028 ! primary amine reactive relationship: is_reactive_with XLMOD:00032 ! hydroxyl reactive relationship: is_reactive_with XLMOD:06503 ! amino acid reactive relationship: is_reactive_with XLMOD:06509 ! phenol reactive [Term] id: XLMOD:09098 name: deuterium labelled N-propylnicotinic acid N-hydroxysuccinimide ester def: "Deuterium labelled N-propylnicotinic acid N-hydroxysuccinimide ester." [PMID:23524938] synonym: "C3-NA-NHS-d7" EXACT [] synonym: "C3D7-NA-NHS" EXACT [] is_a: XLMOD:09005 ! NA-NHS ester relationship: has_reactive_group XLMOD:00101 ! NHS ester relationship: is_labelled XLMOD:00010 ! deuterium labelled relationship: is_reactive_with XLMOD:00028 ! primary amine reactive relationship: is_reactive_with XLMOD:00032 ! hydroxyl reactive relationship: is_reactive_with XLMOD:06503 ! amino acid reactive relationship: is_reactive_with XLMOD:06509 ! phenol reactive [Term] id: XLMOD:09099 name: N-butylnicotinic acid N-hydroxysuccinimide ester def: "N-butylnicotinic acid N-hydroxysuccinimide ester." [PMID:23524938] synonym: "C4-NA-NHS" EXACT [] is_a: XLMOD:09005 ! NA-NHS ester relationship: has_reactive_group XLMOD:00101 ! NHS ester relationship: is_reactive_with XLMOD:00028 ! primary amine reactive relationship: is_reactive_with XLMOD:00032 ! hydroxyl reactive relationship: is_reactive_with XLMOD:06503 ! amino acid reactive relationship: is_reactive_with XLMOD:06509 ! phenol reactive [Term] id: XLMOD:09100 name: deuterium labelled N-butylnicotinic acid N-hydroxysuccinimide ester def: "Deuterium labelled N-butylnicotinic acid N-hydroxysuccinimide ester." [PMID:23524938] synonym: "C4-NA-NHS-d9" EXACT [] synonym: "C4D9-NA-NHS" EXACT [] is_a: XLMOD:09005 ! NA-NHS ester relationship: has_reactive_group XLMOD:00101 ! NHS ester relationship: is_labelled XLMOD:00010 ! deuterium labelled relationship: is_reactive_with XLMOD:00028 ! primary amine reactive relationship: is_reactive_with XLMOD:00032 ! hydroxyl reactive relationship: is_reactive_with XLMOD:06503 ! amino acid reactive relationship: is_reactive_with XLMOD:06509 ! phenol reactive [Term] id: XLMOD:09101 name: 2,4-Dinitrofluorobenzene def: "2,4-Dinitrofluorobenzene." [CAS:70-34-8, PubChem_Compound:6264, ChemSpiderID:21106037, ChemicalBookNo:CB9442373, PMID:16808485] synonym: "DNFB" EXACT [] synonym: "FNDB" EXACT [] synonym: "1-Fluoro-2,4-dinitrobenzene" EXACT [] is_a: XLMOD:09243 ! Sanger type reagent relationship: has_reactive_group XLMOD:00145 ! aryl halide [Term] id: XLMOD:09102 name: 4-N,N,N-trimethylammonioanilylN'-hydroxysuccinimidyl carbamate iodide def: "4-N,N,N-trimethylammonioanilylN'-hydroxysuccinimidyl carbamate iodide." [PMID:22575224] synonym: "TAHS" EXACT [] synonym: "p-N,N,N-trimethylammonioanilylN'-hydroxysuccinimidyl carbamate iodide" EXACT [] is_a: XLMOD:06010 ! LCMS derivatization reagent relationship: has_reactive_group XLMOD:00164 ! carbamate [Term] id: XLMOD:09103 name: deuterium labelled p-N,N,N-trimethylammonioanilylN'-hydroxysuccinimidyl carbamate iodide def: "Deuterium labelled p-N,N,N-trimethylammonioanilylN'-hydroxysuccinimidyl carbamate iodide." [PMID:22575224] synonym: "TAHS-d3" EXACT [] is_a: XLMOD:06010 ! LCMS derivatization reagent relationship: has_reactive_group XLMOD:00164 ! carbamate relationship: is_labelled XLMOD:00010 ! deuterium labelled [Term] id: XLMOD:09104 name: 4-methylpiperazine acetyl succinimide def: "4-methylpiperazine acetyl succinimide." [PMID:22575224] synonym: "MPAS" EXACT [] is_a: XLMOD:06010 ! LCMS derivatization reagent relationship: has_reactive_group XLMOD:00101 ! NHS ester relationship: is_reactive_with XLMOD:00028 ! primary amine reactive relationship: is_reactive_with XLMOD:06503 ! amino acid reactive [Term] id: XLMOD:09105 name: deuterium labelled 4-methylpiperazine acetyl succinimide def: "Deuterium labelled 4-methylpiperazine acetyl succinimide." [PMID:22575224] synonym: "MPAS-d3" EXACT [] is_a: XLMOD:06010 ! LCMS derivatization reagent relationship: has_reactive_group XLMOD:00101 ! NHS ester relationship: is_labelled XLMOD:00010 ! deuterium labelled relationship: is_reactive_with XLMOD:00028 ! primary amine reactive relationship: is_reactive_with XLMOD:06503 ! amino acid reactive [Term] id: XLMOD:09106 name: 4-methylpiperadinebutyryl succinimide def: "4-methylpiperadinebutyryl succinimide." [PMID:22575224] synonym: "MPBS" EXACT [] is_a: XLMOD:06010 ! LCMS derivatization reagent relationship: has_reactive_group XLMOD:00101 ! NHS ester relationship: is_reactive_with XLMOD:00028 ! primary amine reactive relationship: is_reactive_with XLMOD:06503 ! amino acid reactive [Term] id: XLMOD:09107 name: deuterium labelled 4-methylpiperadinebutyryl succinimide def: "Deuterium labelled 4-methylpiperadinebutyryl succinimide." [PMID:22575224] synonym: "MPBS-d3" EXACT [] is_a: XLMOD:06010 ! LCMS derivatization reagent relationship: has_reactive_group XLMOD:00101 ! NHS ester relationship: is_labelled XLMOD:00010 ! deuterium labelled relationship: is_reactive_with XLMOD:00028 ! primary amine reactive relationship: is_reactive_with XLMOD:06503 ! amino acid reactive [Term] id: XLMOD:09108 name: dimethylaminobutyryl succinimide def: "Dimethylaminobutyryl succinimide." [PMID:22575224] synonym: "DMABS" EXACT [] is_a: XLMOD:06010 ! LCMS derivatization reagent relationship: has_reactive_group XLMOD:00101 ! NHS ester relationship: is_reactive_with XLMOD:00028 ! primary amine reactive relationship: is_reactive_with XLMOD:06503 ! amino acid reactive [Term] id: XLMOD:09109 name: deuterium labelled dimethylaminobutyryl succinimide def: "Deuterium labelled dimethylaminobutyryl succinimide." [PMID:22575224] synonym: "DMABS-d3" EXACT [] is_a: XLMOD:06010 ! LCMS derivatization reagent relationship: has_reactive_group XLMOD:00101 ! NHS ester relationship: is_labelled XLMOD:00010 ! deuterium labelled relationship: is_reactive_with XLMOD:00028 ! primary amine reactive relationship: is_reactive_with XLMOD:06503 ! amino acid reactive [Term] id: XLMOD:09110 name: 13C-dansyl chloride def: "13C-dansyl chloride." [PMID:22575224] synonym: "13C DNS-Cl" EXACT [] is_a: XLMOD:06010 ! LCMS derivatization reagent relationship: is_labelled XLMOD:00036 ! 13C labelled relationship: is_reactive_with XLMOD:00028 ! primary amine reactive relationship: is_reactive_with XLMOD:00032 ! hydroxyl reactive relationship: is_reactive_with XLMOD:06503 ! amino acid reactive relationship: is_reactive_with XLMOD:06509 ! phenol reactive relationship: is_reactive_with XLMOD:06512 ! steroid reactive relationship: is_reactive_with XLMOD:06515 ! nucleoside reactive [Term] id: XLMOD:09111 name: pentafluorophenyl-activated ester of polyethyleneglycol def: "Pentafluorophenyl-activated ester of polyethyleneglycol." [PMID:18954088] synonym: "PEG-OPFP" EXACT [] is_a: XLMOD:06010 ! LCMS derivatization reagent relationship: has_reactive_group XLMOD:00120 ! pentafluorophenyl relationship: is_reactive_with XLMOD:06503 ! amino acid reactive [Term] id: XLMOD:09112 name: 13C labelled pentafluorophenyl-activated ester of polyethyleneglycol def: "13C labelled pentafluorophenyl-activated ester of polyethyleneglycol." [PMID:18954088] synonym: "13C-PEG-OPFP" EXACT [] is_a: XLMOD:06010 ! LCMS derivatization reagent relationship: has_reactive_group XLMOD:00120 ! pentafluorophenyl relationship: is_labelled XLMOD:00036 ! 13C labelled relationship: is_reactive_with XLMOD:06503 ! amino acid reactive [Term] id: XLMOD:09113 name: cholamine def: "Cholamine." [ChemicalBookNo:CB8492922, PMID:22575224] is_a: XLMOD:06010 ! LCMS derivatization reagent relationship: is_reactive_with XLMOD:00030 ! carboxyl reactive [Term] id: XLMOD:09114 name: deuterium labelled cholamine def: "Deuterium labelled cholamine." [PMID:22575224] synonym: "cholamine-d9" EXACT [] is_a: XLMOD:06010 ! LCMS derivatization reagent relationship: is_labelled XLMOD:00010 ! deuterium labelled relationship: is_reactive_with XLMOD:00030 ! carboxyl reactive [Term] id: XLMOD:09115 name: 2-bromo-1-methylpyridinium iodide def: "2-bromo-1-methylpyridinium iodide." [CAS:52693-56-8, PubChem_Compound:12233907, ChemSpiderID:11554184, ChemicalBookNo:CB13083603, PMID:22575224] synonym: "BMP" EXACT [] is_a: XLMOD:06010 ! LCMS derivatization reagent relationship: is_reactive_with XLMOD:00030 ! carboxyl reactive [Term] id: XLMOD:09116 name: deuterium labelled 2-bromo-1-methylpyridinium iodide def: "Deuterium labelled 2-bromo-1-methylpyridinium iodide." [PMID:22575224] synonym: "BMP-d3" EXACT [] is_a: XLMOD:06010 ! LCMS derivatization reagent relationship: is_labelled XLMOD:00010 ! deuterium labelled relationship: is_reactive_with XLMOD:00030 ! carboxyl reactive [Term] id: XLMOD:09117 name: 3-carbinol-1-methylpyridinium iodide def: "3-carbinol-1-methylpyridinium iodide." [PMID:22575224] synonym: "CMP" EXACT [] is_a: XLMOD:06010 ! LCMS derivatization reagent relationship: is_reactive_with XLMOD:00030 ! carboxyl reactive [Term] id: XLMOD:09118 name: deuterium labelled 3-carbinol-1-methylpyridinium iodide def: "Deuterium labelled 3-carbinol-1-methylpyridinium iodide." [PMID:22575224] synonym: "CMP-d3" EXACT [] is_a: XLMOD:06010 ! LCMS derivatization reagent relationship: is_labelled XLMOD:00010 ! deuterium labelled relationship: is_reactive_with XLMOD:00030 ! carboxyl reactive [Term] id: XLMOD:09119 name: 4-dimethylaminophenacyl bromide def: "4-dimethylaminophenacyl bromide." [CAS:37904-72-6, PubChem_Compound:142225, ChemSpiderID:125460, ChemicalBookNo:CB4113692, PMID:22575224] synonym: "DmPA-Br" EXACT [] synonym: "2-Bromo-1-[4-(dimethylamino)phenyl]ethanone" EXACT [] synonym: "p-dimethylaminophenacyl bromide" EXACT [] is_a: XLMOD:06010 ! LCMS derivatization reagent relationship: has_fluorophore XLMOD:06110 ! phenacyl relationship: is_reactive_with XLMOD:00030 ! carboxyl reactive [Term] id: XLMOD:09120 name: 13C labelled p-dimethylaminophenacyl bromide def: "13C labelled p-dimethylaminophenacyl bromide." [PMID:22575224] synonym: "13C-DmPA-Br" EXACT [] is_a: XLMOD:06010 ! LCMS derivatization reagent relationship: has_fluorophore XLMOD:06110 ! phenacyl relationship: is_labelled XLMOD:00036 ! 13C labelled relationship: is_reactive_with XLMOD:00030 ! carboxyl reactive [Term] id: XLMOD:09121 name: 7-(N,N-dimethylaminosulfonyl)-4-(aminoethyl)piperadino-2,1-3-benzoxadiazole def: "7-(N,N-dimethylaminosulfonyl)-4-(aminoethyl)piperadino-2,1-3-benzoxadiazole." [PMID:22575224] synonym: "DBD-PZ-NH2" EXACT [] is_a: XLMOD:06010 ! LCMS derivatization reagent relationship: has_property XLMOD:00015 ! fluorescent relationship: is_reactive_with XLMOD:00030 ! carboxyl reactive [Term] id: XLMOD:09122 name: deuterium labelled 7-(N,N-dimethylaminosulfonyl)-4-(aminoethyl)piperadino-2,1-3-benzoxadiazole def: "Deuterium labelled 7-(N,N-dimethylaminosulfonyl)-4-(aminoethyl)piperadino-2,1-3-benzoxadiazole." [PMID:22575224, PMID:16167303] synonym: "DBD-PZ-NH2-d6" EXACT [] is_a: XLMOD:06010 ! LCMS derivatization reagent relationship: is_labelled XLMOD:00010 ! deuterium labelled relationship: is_reactive_with XLMOD:00030 ! carboxyl reactive [Term] id: XLMOD:09123 name: 7-(N,N-dimethylaminosulfonyl)-4-piperadino-2,1-3-benzoxadiazole def: "7-(N,N-dimethylaminosulfonyl)-4-piperadino-2,1-3-benzoxadiazole." [PMID:22575224] synonym: "DBD-PZ" EXACT [] synonym: "4-(N,N-dimethylaminosulfonyl)-7-(1-piperazinyl)-2,1,3-benzoxadiazole" EXACT [] is_a: XLMOD:06010 ! LCMS derivatization reagent relationship: has_property XLMOD:00015 ! fluorescent relationship: has_reactive_group XLMOD:00157 ! benzofurazan [Term] id: XLMOD:09124 name: deuterium labelled 7-(N,N-dimethylaminosulfonyl)-4-piperadino-2,1-3-benzoxadiazole def: "Deuterium labelled 7-(N,N-dimethylaminosulfonyl)-4-piperadino-2,1-3-benzoxadiazole." [PMID:22575224] synonym: "DBD-PZ-d6" EXACT [] is_a: XLMOD:06010 ! LCMS derivatization reagent relationship: is_labelled XLMOD:00010 ! deuterium labelled relationship: is_reactive_with XLMOD:00030 ! carboxyl reactive [Term] id: XLMOD:09125 name: deuterium labelled Girard's reagent P def: "Deuterium labelled pyridinioacetohydrazide chloride." [PMID:22575224] synonym: "Gir P-d5" EXACT [] synonym: "GP-d5" EXACT [] is_a: XLMOD:06010 ! LCMS derivatization reagent relationship: is_labelled XLMOD:00010 ! deuterium labelled relationship: has_reactive_group XLMOD:00110 ! hydrazide relationship: is_reactive_with XLMOD:06512 ! steroid reactive [Term] id: XLMOD:09126 name: deuterium labelled 2,4-dinitrophenylhydrazine def: "Deuterium labelled 2,4-dinitrophenylhydrazine." [PMID:22575224] synonym: "DNPH-d3" EXACT [] synonym: "2,4-Dinitro-3,5,6-trideuterophenylhydrazine" EXACT [] is_a: XLMOD:06010 ! LCMS derivatization reagent relationship: is_labelled XLMOD:00010 ! deuterium labelled relationship: has_fluorophore XLMOD:06104 ! 2,4-dinitrophenyl relationship: has_reactive_group XLMOD:00159 ! hydrazine [Term] id: XLMOD:09127 name: 2-Phenylenediamine def: "2-Phenylenediamine." [CAS:95-54-5, PubChem_Compound:7243, ChemSpiderID:13837582, ChemicalBookNo:CB9854699, PMID:21382752] synonym: "o-Phenylenediamine" EXACT [] is_a: XLMOD:06010 ! LCMS derivatization reagent relationship: is_reactive_with XLMOD:00031 ! aldehyde reactive relationship: is_reactive_with XLMOD:06510 ! ketone reactive [Term] id: XLMOD:09129 name: 5,5'-Dithio-(bis-2-nitrobenzoic) acid def: "5,5'-Dithio-(bis-2-nitrobenzoic) acid." [CAS:69-78-3, PubChem_Compound:6254, ChemSpiderID:6018, ChemicalBookNo:CB2215444, PMID:21382752] synonym: "Ellman's reagent" EXACT [] is_a: XLMOD:06010 ! LCMS derivatization reagent relationship: is_reactive_with XLMOD:06513 ! thiol reactive [Term] id: XLMOD:09130 name: 4-(Hydroxymercuri)benzoate acid def: "4-(Hydroxymercuri)benzoate acid." [CAS:138-85-2, PubChem_Compound:23667696, ChemSpiderID:8104477, ChemicalBookNo:CB9350409, PMID:21382752] synonym: "p-(Hydroxymercuri)benzoate acid" EXACT [] is_a: XLMOD:06010 ! LCMS derivatization reagent relationship: is_reactive_with XLMOD:06513 ! thiol reactive [Term] id: XLMOD:09131 name: N-Ethylmaleimide def: "N-Ethylmaleimide." [CAS:128-53-0, PubChem_Compound:4362, ChemSpiderID:4209, ChemicalBookNo:CB5748314, PMID:21382752, PMID:29906677] synonym: "NEM" EXACT [] is_a: XLMOD:06010 ! LCMS derivatization reagent relationship: has_reactive_group XLMOD:00106 ! maleimide [Term] id: XLMOD:09132 name: 4-Methylbenzenesulfonyl isocyanate def: "4-Methylbenzenesulfonyl isocyanate." [CAS:4083-64-1, PubChem_Compound:77703, ChemSpiderID:70104, ChemicalBookNo:CB8256995, PMID:21382752] synonym: "p-Toluenesulfonyl isocyanate" EXACT [] synonym: "Tosyl isocyanate" EXACT [] is_a: XLMOD:06010 ! LCMS derivatization reagent relationship: has_reactive_group XLMOD:00124 ! isocyanate [Term] id: XLMOD:09133 name: 1-(4-lsopropyl) phenyl-3-methyl-5-pyrazolone def: "1-(4-lsopropyl) phenyl-3-methyl-5-pyrazolone." [PMID:21382752] synonym: "PMPP" EXACT [] is_a: XLMOD:06010 ! LCMS derivatization reagent relationship: is_reactive_with XLMOD:00032 ! hydroxyl reactive relationship: is_reactive_with XLMOD:06509 ! phenol reactive [Term] id: XLMOD:09134 name: 2-Sulfobenzoic anhydride def: "2-Sulfobenzoic anhydride." [CAS:81-08-3, PubChem_Compound:65729, ChemSpiderID:59152, ChemicalBookNo:CB4286815, PMID:21382752] is_a: XLMOD:06010 ! LCMS derivatization reagent relationship: has_reactive_group XLMOD:00166 ! anhydride [Term] id: XLMOD:09135 name: 1-pyrenesulfonyl chloride def: "1-pyrenesulfonyl chloride." [CAS:61494-52-8, PubChem_Compound:2762670, ChemSpiderID:2043373, ChemicalBookNo:CB0708281, PMID:21382752] synonym: "PSC" EXACT [] synonym: "Pyrene-1-sulfonyl chloride" EXACT [] is_a: XLMOD:06010 ! LCMS derivatization reagent relationship: has_reactive_group XLMOD:00156 ! sulfonyl chloride [Term] id: XLMOD:09136 name: 2,3-Naphthalenedialdehyde def: "2,3-Naphthalenedialdehyde." [CAS:7149-49-7, PubChem_Compound:96400, ChemSpiderID:87023, ChemicalBookNo:CB5283316, PMID:21382752] synonym: "Naphthalene-2,3-dicarbaldehyde" EXACT [] is_a: XLMOD:06010 ! LCMS derivatization reagent relationship: is_reactive_with XLMOD:00028 ! primary amine reactive [Term] id: XLMOD:09137 name: 3-chlorocarbonyl-6,7-dimethoxy-1-methyl-2(1H)-quinoxalinone def: "3-chlorocarbonyl-6,7-dimethoxy-1-methyl-2(1H)-quinoxalinone." [CAS:104077-15-8, PubChem_Compound:147056, ChemSpiderID:129681, ChemicalBookNo:CB6511517, PMID:21382752] synonym: "DMEQ-COCI" EXACT [] is_a: XLMOD:06010 ! LCMS derivatization reagent relationship: is_reactive_with XLMOD:00028 ! primary amine reactive [Term] id: XLMOD:09138 name: Fluorescein-5-isothiocyanate def: "Fluorescein-5-isothiocyanate." [CAS:3326-32-7, PubChem_Compound:18730, ChemSpiderID:17686, ChemicalBookNo:CB0173162, PMID:21382752] is_a: XLMOD:06010 ! LCMS derivatization reagent relationship: has_property XLMOD:00015 ! fluorescent relationship: has_reactive_group XLMOD:00162 ! isothiocyanate [Term] id: XLMOD:09139 name: 2-Chloro-1-methylpyridinium def: "2-Chloro-1-methylpyridinium." [CAS:45528-84-5, PubChem_Compound:167070, ChemSpiderID:146180, ChemicalBookNo:CB11376592, PMID:21382752] is_a: XLMOD:06010 ! LCMS derivatization reagent relationship: is_reactive_with XLMOD:00028 ! primary amine reactive relationship: is_reactive_with XLMOD:00030 ! carboxyl reactive [Term] id: XLMOD:09140 name: (5-N-succinimidoxy-5-oxopentyl)triphenylphosphonium bromide def: "(5-N-succinimidoxy-5-oxopentyl)triphenylphosphonium bromide." [PMID:21382752] is_a: XLMOD:06010 ! LCMS derivatization reagent relationship: is_reactive_with XLMOD:00028 ! primary amine reactive [Term] id: XLMOD:09141 name: Diethylethoxymethylenemalonate def: "Diethylethoxymethylenemalonate." [CAS:87-13-8, PubChem_Compound:6871, ChemSpiderID:6609, ChemicalBookNo:CB3163908, PMID:21382752, PMID:22889992] synonym: "DEEMM" EXACT [] is_a: XLMOD:06010 ! LCMS derivatization reagent relationship: is_reactive_with XLMOD:00028 ! primary amine reactive [Term] id: XLMOD:09142 name: 4-(dimethylamino)phenyl isothiocyanate def: "4-(dimethylamino)phenyl isothiocyanate." [CAS:2131-64-8, PubChem_Compound:75047, ChemSpiderID:67599, ChemicalBookNo:CB6742874, PMID:21382752] synonym: "DMAP-NCS" EXACT [] synonym: "p-Dimethylaminophenyl isothiocyanate" EXACT [] synonym: "p-Isothiocyanato-N,N-dimethylaniline" EXACT [] is_a: XLMOD:06010 ! LCMS derivatization reagent relationship: has_reactive_group XLMOD:00162 ! isothiocyanate [Term] id: XLMOD:09143 name: 3-Nitrophenyl isothiocyanate def: "3-Nitrophenyl isothiocyanate." [CAS:3529-82-6, PubChem_Compound:19050, ChemSpiderID:17985, ChemicalBookNo:CB5235618, PMID:21382752] synonym: "m-Nitrophenyl isothiocyanate" EXACT [] is_a: XLMOD:06010 ! LCMS derivatization reagent relationship: has_reactive_group XLMOD:00162 ! isothiocyanate [Term] id: XLMOD:09144 name: 3-aminopyridyl-N-hydroxysuccinimidylcarbamate def: "3-aminopyridyl-N-hydroxysuccinimidylcarbamate." [PMID:21382752] synonym: "APDS" EXACT [] is_a: XLMOD:06010 ! LCMS derivatization reagent relationship: has_reactive_group XLMOD:00164 ! carbamate [Term] id: XLMOD:09145 name: N-(4-aminomethylphenyl)pyridinium def: "N-(4-aminomethylphenyl)pyridinium." [PMID:21382752] synonym: "AMPP" EXACT [] is_a: XLMOD:06010 ! LCMS derivatization reagent relationship: is_reactive_with XLMOD:00030 ! carboxyl reactive [Term] id: XLMOD:09146 name: Cyclohexanedione def: "Cyclohexanedione." [CAS:765-87-7, PubChem_Compound:13006, ChemSpiderID:12465, ChemicalBookNo:CB7854271, PMID:26496130] synonym: "CHD" EXACT [] is_a: XLMOD:06010 ! LCMS derivatization reagent relationship: is_reactive_with XLMOD:00031 ! aldehyde reactive relationship: is_reactive_with XLMOD:06510 ! ketone reactive [Term] id: XLMOD:09148 name: 2-fluoro-1-methylpyridium def: "2-fluoro-1-methylpyridium." [PMID:26496130, PMID:26454158] synonym: "2-FMP" EXACT [] is_a: XLMOD:06010 ! LCMS derivatization reagent relationship: is_reactive_with XLMOD:00032 ! hydroxyl reactive relationship: is_reactive_with XLMOD:06509 ! phenol reactive [Term] id: XLMOD:09149 name: triplex 5-diethylaminonaphthalene-1-sulfonyl chloride def: "Triplex 5-diethylaminonaphthalene-1-sulfonyl chloride." [PMID:26496130] synonym: "DensCl" EXACT [] is_a: XLMOD:06010 ! LCMS derivatization reagent relationship: has_reactive_group XLMOD:00156 ! sulfonyl chloride [Term] id: XLMOD:09150 name: N-(5-fluoro-2,4-dinitrophenyl)-D-leucinamide def: "N-(5-fluoro-2,4-dinitrophenyl)-D-leucinamide." [PMID:26496130] synonym: "D-FDLA" EXACT [] is_a: XLMOD:06009 ! chiral derivatization reagent is_a: XLMOD:09244 ! Marfey type reagent relationship: has_fluorophore XLMOD:06104 ! 2,4-dinitrophenyl [Term] id: XLMOD:09152 name: ebselen def: "Ebselen." [CAS:60940-34-3, PubChem_Compound:3194, ChemSpiderID:3082, ChemicalBookNo:CB5301009, PMID:26496130] is_a: XLMOD:06010 ! LCMS derivatization reagent relationship: is_reactive_with XLMOD:06513 ! thiol reactive [Term] id: XLMOD:09153 name: iodoacetamide def: "Iodoacetamide." [CAS:144-48-9, PubChem_Compound:3727, ChemSpiderID:3596, ChemicalBookNo:CB4760867, PMID:26496130] synonym: "IAM" EXACT [] is_a: XLMOD:06010 ! LCMS derivatization reagent relationship: is_reactive_with XLMOD:06513 ! thiol reactive [Term] id: XLMOD:09154 name: isopropylchloroformate def: "Isopropylchloroformate." [CAS:108-23-6, PubChem_Compound:7917, ChemSpiderID:7629, ChemicalBookNo:CB5702693, PMID:26496130] synonym: "IPCF" EXACT [] is_a: XLMOD:06018 ! chloroformate reagent [Term] id: XLMOD:09155 name: 2-Nitrobenzaldehyde def: "2-Nitrobenzaldehyde." [CAS:552-89-6, PubChem_Compound:11101, ChemSpiderID:10630, ChemicalBookNo:CB8414184, PMID:26496130] synonym: "2-NB" EXACT [] is_a: XLMOD:06010 ! LCMS derivatization reagent relationship: is_reactive_with XLMOD:06513 ! thiol reactive [Term] id: XLMOD:09157 name: 5-N-succinimidoxy-5-oxopentyl)triphenylphosphonium bromide def: "5-N-succinimidoxy-5-oxopentyl)triphenylphosphonium bromide." [PMID:22889992] synonym: "SPTPP" EXACT [] is_a: XLMOD:06010 ! LCMS derivatization reagent relationship: is_reactive_with XLMOD:00028 ! primary amine reactive [Term] id: XLMOD:09158 name: 2,5-dioxopyrrolidin-1-yl N-tri(pyrrolidino)phosphoranylideneamino carbamate def: "2,5-dioxopyrrolidin-1-yl N-tri(pyrrolidino)phosphoranylideneamino carbamate." [PMID:22889992] synonym: "FOSF" EXACT [] is_a: XLMOD:06010 ! LCMS derivatization reagent relationship: has_reactive_group XLMOD:00164 ! carbamate [Term] id: XLMOD:09159 name: 2-nitrophenylhydrazine hydrochloride def: "2-nitrophenylhydrazine hydrochloride." [CAS:56413-75-3, PubChem_Compound:5743520, ChemSpiderID:21306, ChemicalBookNo:CB5875432, PMID:3429573, PMID:10905720] synonym: "2-NPH-HCl" EXACT [] is_a: XLMOD:06010 ! LCMS derivatization reagent relationship: has_reactive_group XLMOD:00159 ! hydrazine [Term] id: XLMOD:09161 name: phenacyl bromide def: "Phenacyl bromide." [CAS:70-11-1, PubChem_Compound:6259, ChemSpiderID:6023, ChemicalBookNo:CB6305185, PMID:3394930] synonym: "2-Bromoacetophenone" EXACT [] is_a: XLMOD:06010 ! LCMS derivatization reagent relationship: has_fluorophore XLMOD:06110 ! phenacyl relationship: is_reactive_with XLMOD:00030 ! carboxyl reactive [Term] id: XLMOD:09163 name: 2-(4-nitro-benzyl)-N,N'-diisopropyl-iso-urea def: "2-(4-nitro-benzyl)-N,N'-diisopropyl-iso-urea." [PMID:3394930] synonym: "o-(4-nitro-benzyl)-N,N'-diisopropyl-iso-urea" EXACT [] is_a: XLMOD:06010 ! LCMS derivatization reagent relationship: is_reactive_with XLMOD:00030 ! carboxyl reactive [Term] id: XLMOD:09164 name: 3-nitrophenylhydrazine def: "3-nitrophenylhydrazine." [PMID:23580203] synonym: "3-NPH" EXACT [] is_a: XLMOD:06010 ! LCMS derivatization reagent relationship: has_reactive_group XLMOD:00159 ! hydrazine [Term] id: XLMOD:09165 name: butyl 1-(pyridin-4-yl) piperidine 4-carboxylate def: "Butyl 1-(pyridin-4-yl) piperidine 4-carboxylate." [PMID:23245244] synonym: "BPPC" EXACT [] is_a: XLMOD:06010 ! LCMS derivatization reagent relationship: is_reactive_with XLMOD:00030 ! carboxyl reactive [Term] id: XLMOD:09166 name: 4-bromo-N-methylbenzylamine def: "4-bromo-N-methylbenzylamine." [CAS:699-03-6, PubChem_Compound:485400, ChemSpiderID:425634, ChemicalBookNo:CB3478655, PMID:29213145] synonym: "4-BNMA" EXACT [] is_a: XLMOD:06010 ! LCMS derivatization reagent relationship: has_reactive_group XLMOD:00133 ! amine reactive group [Term] id: XLMOD:09167 name: N-methyl-2-phenylethanamine def: "N-methyl-2-phenylethanamine." [CAS:589-08-2, PubChem_Compound:11503, ChemSpiderID:11019, ChemicalBookNo:CB6140245, PMID:29213145] synonym: "MPEA" EXACT [] is_a: XLMOD:06010 ! LCMS derivatization reagent relationship: is_reactive_with XLMOD:00030 ! carboxyl reactive [Term] id: XLMOD:09168 name: benzoyl chloride def: "Benzoyl chloride." [CAS:98-88-4, PubChem_Compound:7412, ChemSpiderID:7134, ChemicalBookNo:CB8854753, PMID:28660399] is_a: XLMOD:06010 ! LCMS derivatization reagent relationship: has_reactive_group XLMOD:00155 ! acyl chloride [Term] id: XLMOD:09169 name: N-tert-butylmaleimide def: "N-tert-butylmaleimide." [CAS:4144-22-3, PubChem_Compound:643190, ChemSpiderID:558357, ChemicalBookNo:CB4720254, PMID:29906677] synonym: "NrBM" EXACT [] is_a: XLMOD:06010 ! LCMS derivatization reagent relationship: has_reactive_group XLMOD:00106 ! maleimide [Term] id: XLMOD:09170 name: N-propylmaleimide def: "N-propylmaleimide." [CAS:21746-40-7, PubChem_Compound:89033, ChemSpiderID:80338, ChemicalBookNo:CB9737837, PMID:29906677] synonym: "NPM" EXACT [] synonym: "1-Propylpyrrole-2,5-dione" EXACT [] is_a: XLMOD:06010 ! LCMS derivatization reagent relationship: has_reactive_group XLMOD:00106 ! maleimide [Term] id: XLMOD:09171 name: 4-hydrazinobenzoic acid def: "4-hydrazinobenzoic acid." [CAS:619-67-0, PubChem_Compound:12089, ChemSpiderID:11592, ChemicalBookNo:CB5271632, PMID:29853022] synonym: "HBA" EXACT [] is_a: XLMOD:06010 ! LCMS derivatization reagent relationship: has_reactive_group XLMOD:00159 ! hydrazine [Term] id: XLMOD:09172 name: 2-aminoethanethiol def: "2-aminoethanethiol." [CAS:60-23-1, PubChem_Compound:6058, ChemSpiderID:5834, ChemicalBookNo:CB2223766, PMID:29853022] synonym: "Cysteamine" EXACT [] is_a: XLMOD:06010 ! LCMS derivatization reagent relationship: is_reactive_with XLMOD:00031 ! aldehyde reactive relationship: is_reactive_with XLMOD:06510 ! ketone reactive [Term] id: XLMOD:09173 name: 2-diphenylacetyl-1,3-indandione-1-hydrazone def: "2-diphenylacetyl-1,3-indandione-1-hydrazone." [CAS:5102-79-4, PubChem_Compound:5375071, ChemicalBookNo:CB4455145, PMID:29853022] synonym: "DAIH" EXACT [] is_a: XLMOD:06010 ! LCMS derivatization reagent relationship: is_reactive_with XLMOD:00030 ! carboxyl reactive relationship: is_reactive_with XLMOD:00031 ! aldehyde reactive relationship: is_reactive_with XLMOD:06510 ! ketone reactive [Term] id: XLMOD:09174 name: 3-methylbenzothiazolin-2-one hydrazone def: "3-methylbenzothiazolin-2-one hydrazone." [CAS:1128-67-2, PubChem_Compound:5359575, ChemSpiderID:4700314, ChemicalBookNo:CB2663986, PMID:29853022] synonym: "MBTH" EXACT [] synonym: "(3-Methyl-1,3-benzothiazol-2-ylidene)hydrazine" EXACT [] is_a: XLMOD:06010 ! LCMS derivatization reagent relationship: has_reactive_group XLMOD:00159 ! hydrazine [Term] id: XLMOD:09175 name: cyclohexane-1,3-dione def: "Cyclohexane-1,3-dione." [CAS:504-02-9, PubChem_Compound:10434, ChemSpiderID:10004, ChemicalBookNo:CB8319650, PMID:29853022] synonym: "Dihydroresorcinol" EXACT [] synonym: "1,3-Cyclohexanedione" EXACT [] is_a: XLMOD:06010 ! LCMS derivatization reagent relationship: is_reactive_with XLMOD:00031 ! aldehyde reactive relationship: is_reactive_with XLMOD:06510 ! ketone reactive [Term] id: XLMOD:09176 name: pyroglutamic acid succinimidyl ester def: "Pyroglutamic acid succinimidyl ester." [PMID:27582321] synonym: "PGA-OSu" EXACT [] is_a: XLMOD:06009 ! chiral derivatization reagent is_a: XLMOD:06010 ! LCMS derivatization reagent relationship: is_reactive_with XLMOD:06503 ! amino acid reactive [Term] id: XLMOD:09177 name: 2,4,6-trichlorophenylhydrazine def: "2,4,6-trichlorophenylhydrazine." [CAS:5329-12-4, PubChem_Compound:79234, ChemSpiderID:71559, ChemicalBookNo:CB4690892, PMID:29853022] synonym: "2,4,6-Trichlorophenylhydrazine" EXACT [] is_a: XLMOD:06010 ! LCMS derivatization reagent relationship: has_reactive_group XLMOD:00159 ! hydrazine [Term] id: XLMOD:09178 name: O-2,3,4,5,6-(pentafluorobenzyl) hydroxylamine hydrochloride def: "O-2,3,4,5,6-(pentafluorobenzyl) hydroxylamine hydrochloride." [CAS:57981-02-9, PubChem_Compound:122307, ChemSpiderID:109062, ChemicalBookNo:CB8307815, PMID:29853022] synonym: "PFBO" EXACT [] synonym: "Florox Reagent" EXACT [] is_a: XLMOD:06010 ! LCMS derivatization reagent relationship: is_reactive_with XLMOD:00031 ! aldehyde reactive relationship: is_reactive_with XLMOD:06510 ! ketone reactive [Term] id: XLMOD:09179 name: benzoyl hydrazine def: "Benzoyl hydrazine." [CAS:613-94-5, PubChem_Compound:11955, ChemSpiderID:11461, ChemicalBookNo:CB2760863, PMID:29853022] is_a: XLMOD:06010 ! LCMS derivatization reagent relationship: has_reactive_group XLMOD:00159 ! hydrazine [Term] id: XLMOD:09180 name: 2-Iodoacetanilide def: "2-Iodoacetanilide." [CAS:19591-17-4, PubChem_Compound:140559, ChemSpiderID:123972, ChemicalBookNo:CB2169857, PMID:29650481] synonym: "2-IAN" EXACT [] is_a: XLMOD:06010 ! LCMS derivatization reagent relationship: is_reactive_with XLMOD:00031 ! aldehyde reactive relationship: is_reactive_with XLMOD:06510 ! ketone reactive [Term] id: XLMOD:09181 name: N-hydroxy-benzotriazolyl-(S)-naproxen ester def: "N-hydroxy-benzotriazolyl-(S)-naproxen ester." [PMID:29601646] synonym: "Npx-ester" EXACT [] is_a: XLMOD:06009 ! chiral derivatization reagent is_a: XLMOD:06010 ! LCMS derivatization reagent relationship: is_reactive_with XLMOD:06517 ! histamine reactive [Term] id: XLMOD:09182 name: methyl acetimidate def: "Methyl acetimidate." [CAS:14777-29-8, PubChem_Compound:26888, ChemSpiderID:10652948, ChemicalBookNo:CB1506534, PMID:23628173] is_a: XLMOD:06010 ! LCMS derivatization reagent relationship: is_reactive_with XLMOD:00028 ! primary amine reactive [Term] id: XLMOD:09183 name: 13C labelled methyl acetimidate def: "13C labelled methyl acetimidate." [PMID:23628173] synonym: "13C-methyl acetimidate" EXACT [] is_a: XLMOD:06010 ! LCMS derivatization reagent relationship: is_labelled XLMOD:00036 ! 13C labelled relationship: is_reactive_with XLMOD:00028 ! primary amine reactive [Term] id: XLMOD:09184 name: 13C labelled formaldehyde def: "13C labelled formaldehyde reagent." [PMID:23628173] synonym: "13C-formaldehyde" EXACT [] is_a: XLMOD:06010 ! LCMS derivatization reagent relationship: is_labelled XLMOD:00036 ! 13C labelled relationship: has_reactive_group XLMOD:00116 ! aldehyde relationship: is_reactive_with XLMOD:00028 ! primary amine reactive [Term] id: XLMOD:09185 name: acetaldehyde def: "Acetaldehyde." [CAS:75-07-0, PubChem_Compound:177, ChemSpiderID:172, ChemicalBookNo:CB8175809, PMID:23628173] is_a: XLMOD:06010 ! LCMS derivatization reagent relationship: is_reactive_with XLMOD:00028 ! primary amine reactive [Term] id: XLMOD:09186 name: deuterium labelled acetaldehyde def: "Deuterium labelled acetaldehyde." [PMID:23628173] synonym: "acetaldehyde-d4" EXACT [] is_a: XLMOD:06010 ! LCMS derivatization reagent relationship: is_labelled XLMOD:00010 ! deuterium labelled relationship: is_reactive_with XLMOD:00028 ! primary amine reactive [Term] id: XLMOD:09187 name: 4-(4-methyl-1-piperazyl)-3-nitrobenzoyl azide def: "4-(4-methyl-1-piperazyl)-3-nitrobenzoyl azide." [PMID:23628173] synonym: "APZ" EXACT [] is_a: XLMOD:06010 ! LCMS derivatization reagent relationship: is_reactive_with XLMOD:06512 ! steroid reactive [Term] id: XLMOD:09188 name: dibenzyl ethoxymethylene malonate def: "Dibenzyl ethoxymethylene malonate." [ChemSpiderID:48244742, PMID:26477276] synonym: "DBEMM" EXACT [] is_a: XLMOD:06010 ! LCMS derivatization reagent relationship: is_reactive_with XLMOD:06503 ! amino acid reactive [Term] id: XLMOD:09189 name: benzyl ethyl ethoxymethylene malonate def: "Benzyl ethyl ethoxymethylene malonate." [PMID:26477276] synonym: "EBEMM" EXACT [] is_a: XLMOD:06010 ! LCMS derivatization reagent relationship: is_reactive_with XLMOD:06503 ! amino acid reactive [Term] id: XLMOD:09190 name: diisopropyl hydrogen phosphite def: "Diisopropyl hydrogen phosphite." [CAS:1809-20-7, PubChem_Compound:558181, ChemSpiderID:485223, ChemicalBookNo:CB5671052, PMID:26477276] is_a: XLMOD:06010 ! LCMS derivatization reagent relationship: is_reactive_with XLMOD:06503 ! amino acid reactive [Term] id: XLMOD:09191 name: 2-(2-[7H-dibenzo (a,g)carbazol-7-yl]-ethoxy)ethyl chloroformate def: "2-(2-[7H-dibenzo (a,g)carbazol-7-yl]-ethoxy)ethyl chloroformate." [PMID:26477276] synonym: "DBCEC" EXACT [] is_a: XLMOD:06018 ! chloroformate reagent [Term] id: XLMOD:09192 name: ethyl chloroformate def: "Ethyl chloroformate." [CAS:541-41-3, PubChem_Compound:10928, ChemSpiderID:10465, PMID:26477276] synonym: "ECF" EXACT [] is_a: XLMOD:06018 ! chloroformate reagent [Term] id: XLMOD:09193 name: 1-bromobutane def: "1-bromobutane." [CAS:109-65-9, PubChem_Compound:8002, ChemSpiderID:7711, ChemicalBookNo:CB2852782, PMID:26477276] is_a: XLMOD:06010 ! LCMS derivatization reagent relationship: is_reactive_with XLMOD:00028 ! primary amine reactive relationship: is_reactive_with XLMOD:00030 ! carboxyl reactive [Term] id: XLMOD:09194 name: 2-bromopyridine-5-boronic acid def: "2-bromopyridine-5-boronic acid." [CAS:223463-14-7, PubChem_Compound:2762706, ChemSpiderID:2043406, ChemicalBookNo:CB4371649, PMID:26477276] synonym: "BPBA" EXACT [] is_a: XLMOD:06010 ! LCMS derivatization reagent relationship: has_reactive_group XLMOD:00161 ! boronic acid relationship: is_reactive_with XLMOD:06512 ! steroid reactive [Term] id: XLMOD:09195 name: (3-dimethylaminophenyl)dihydroxyborane def: "(3-dimethylaminophenyl)dihydroxyborane." [CAS:178752-79-9, PubChem_Compound:2762527, ChemSpiderID:2043244, ChemicalBookNo:CB1220410, PMID:26477276] synonym: "DAPB" EXACT [] is_a: XLMOD:06010 ! LCMS derivatization reagent relationship: is_reactive_with XLMOD:06512 ! steroid reactive [Term] id: XLMOD:09196 name: 1-methylimidazole-2-sulfonyl chloride def: "1-methylimidazole-2-sulfonyl chloride." [CAS:55694-81-0, PubChem_Compound:11658383, ChemSpiderID:9833118, ChemicalBookNo:CB22592929, PMID:26477276] synonym: "MLDS" EXACT [] is_a: XLMOD:06010 ! LCMS derivatization reagent relationship: has_reactive_group XLMOD:00156 ! sulfonyl chloride relationship: is_reactive_with XLMOD:06512 ! steroid reactive [Term] id: XLMOD:09198 name: N-methyl pyridinium-3-sulfonyl chloride def: "N-methyl pyridinium-3-sulfonyl chloride." [PMID:26477276] synonym: "NMPS" EXACT [] is_a: XLMOD:06010 ! LCMS derivatization reagent relationship: has_reactive_group XLMOD:00156 ! sulfonyl chloride relationship: is_reactive_with XLMOD:06512 ! steroid reactive [Term] id: XLMOD:09199 name: quaternary aminooxy reagent def: "Quaternary aminooxy reagent." [PMID:26477276] synonym: "QAO" EXACT [] is_a: XLMOD:06010 ! LCMS derivatization reagent relationship: is_reactive_with XLMOD:06512 ! steroid reactive [Term] id: XLMOD:09200 name: 2,4-dimethoxy-6-piperazin-1-yl pyrimidine def: "2,4-dimethoxy-6-piperazin-1-yl pyrimidine." [CAS:38539-75-2, PubChem_Compound:18423149, ChemSpiderID:13408232, ChemicalBookNo:CB93096577, PMID:26477276] synonym: "DMPP" EXACT [] is_a: XLMOD:06010 ! LCMS derivatization reagent relationship: is_reactive_with XLMOD:00030 ! carboxyl reactive [Term] id: XLMOD:09201 name: 3-pyridylcarbinol def: "3-pyridylcarbinol." [CAS:100-55-0, PubChem_Compound:7510, ChemSpiderID:7229, ChemicalBookNo:CB6384809, PMID:26477276] synonym: "3-PC" EXACT [] synonym: "Nicotinyl Alcohol" EXACT [] is_a: XLMOD:06010 ! LCMS derivatization reagent relationship: is_reactive_with XLMOD:00030 ! carboxyl reactive [Term] id: XLMOD:09202 name: phenylhydrazine def: "Phenylhydrazine." [CAS:100-63-0, PubChem_Compound:7516, ChemSpiderID:7235, ChemicalBookNo:CB9216819, PMID:26477276] is_a: XLMOD:06010 ! LCMS derivatization reagent relationship: has_reactive_group XLMOD:00159 ! hydrazine relationship: is_reactive_with XLMOD:06519 ! alpha-keto acid reactive [Term] id: XLMOD:09203 name: o-benzylhydroxylamine def: "O-benzylhydroxylamine." [CAS:622-33-3, PubChem_Compound:102313, ChemSpiderID:92425, ChemicalBookNo:CB6853994, PMID:26477276] synonym: "O-BHA" EXACT [] is_a: XLMOD:06010 ! LCMS derivatization reagent relationship: is_reactive_with XLMOD:06519 ! alpha-keto acid reactive [Term] id: XLMOD:09204 name: o-phenylenediamine def: "O-phenylenediamine." [CAS:95-54-5, PubChem_Compound:7243, ChemSpiderID:13837582, ChemicalBookNo:CB9854699, PMID:26477276] is_a: XLMOD:06010 ! LCMS derivatization reagent relationship: is_reactive_with XLMOD:06519 ! alpha-keto acid reactive [Term] id: XLMOD:09205 name: benzyl alcohol def: "Benzyl alcohol." [CAS:100-51-6, PubChem_Compound:244, ChemSpiderID:13860335, ChemicalBookNo:CB3852587, PMID:26477276] is_a: XLMOD:06010 ! LCMS derivatization reagent relationship: is_reactive_with XLMOD:06520 ! citric acid reactive [Term] id: XLMOD:09206 name: 4-hydroxymercuribenzoate def: "4-hydroxymercuribenzoate." [PubChem_Compound:3647458, ChemSpiderID:15605527, PMID:26477276] synonym: "PHMB" EXACT [] is_a: XLMOD:06010 ! LCMS derivatization reagent relationship: is_reactive_with XLMOD:06513 ! thiol reactive [Term] id: XLMOD:09207 name: 4-chloro-3,5-dinitrobenzotrifluoride def: "4-chloro-3,5-dinitrobenzotrifluoride." [CAS:393-75-9, PubChem_Compound:9809, ChemSpiderID:9426, ChemicalBookNo:CB1329205, PMID:26477276] synonym: "CNBF" EXACT [] is_a: XLMOD:06010 ! LCMS derivatization reagent relationship: is_reactive_with XLMOD:06513 ! thiol reactive [Term] id: XLMOD:09208 name: omega-bromoacetonylquinolinium bromide def: "Omega-bromoacetonylquinolinium bromide." [PMID:26477276] synonym: "BQB" EXACT [] is_a: XLMOD:06010 ! LCMS derivatization reagent relationship: is_reactive_with XLMOD:06513 ! thiol reactive [Term] id: XLMOD:09209 name: pentafluorophenylhydrazine def: "Pentafluorophenylhydrazine." [CAS:828-73-9, PubChem_Compound:13236, ChemSpiderID:12681, ChemicalBookNo:CB4730404, PMID:26477276] is_a: XLMOD:06010 ! LCMS derivatization reagent relationship: has_reactive_group XLMOD:00159 ! hydrazine [Term] id: XLMOD:09210 name: 7-(diethylamino)coumarin-3-carbohydrazide def: "7-(diethylamino)coumarin-3-carbohydrazide." [CAS:100343-98-4, PubChem_Compound:127564, ChemSpiderID:113172, ChemicalBookNo:CB0751313, PMID:26477276] synonym: "CHH" EXACT [] is_a: XLMOD:06010 ! LCMS derivatization reagent relationship: has_reactive_group XLMOD:00110 ! hydrazide [Term] id: XLMOD:09211 name: L-Carnosine def: "L-Carnosine." [CAS:305-84-0, PubChem_Compound:439224, ChemSpiderID:388363, ChemicalBookNo:CB0433763, PMID:26477276] is_a: XLMOD:06009 ! chiral derivatization reagent is_a: XLMOD:06010 ! LCMS derivatization reagent [Term] id: XLMOD:09212 name: 7-fluorobenzo-2-oxa-1,3-diazole-4-sulfonate def: "7-fluorobenzo-2-oxa-1,3-diazole-4-sulfonate." [CAS:84806-27-9, PubChem_Compound:2737780, ChemSpiderID:108691, ChemicalBookNo:CB0175393, PMID:27582321] synonym: "SBD-F" EXACT [] is_a: XLMOD:06010 ! LCMS derivatization reagent relationship: has_property XLMOD:00015 ! fluorescent relationship: has_reactive_group XLMOD:00165 ! sulfonate relationship: is_reactive_with XLMOD:06513 ! thiol reactive [Term] id: XLMOD:09213 name: 4-(aminosulfonyl)-7-fluoro-2,1,3-benzoxadiazole def: "4-(aminosulfonyl)-7-fluoro-2,1,3-benzoxadiazole." [CAS:91366-65-3, PubChem_Compound:122067, ChemSpiderID:108876, ChemicalBookNo:CB4102238, PMID:27582321] synonym: "ABD-F" EXACT [] synonym: "7-Fluoro-2,1,3-benzoxadiazole-4-sulfonamide" EXACT [] is_a: XLMOD:06010 ! LCMS derivatization reagent relationship: has_property XLMOD:00015 ! fluorescent relationship: has_reactive_group XLMOD:00158 ! halobenzofurazan relationship: is_reactive_with XLMOD:06513 ! thiol reactive [Term] id: XLMOD:09214 name: 4-nitro-7-(1-piperazinyl)-2,1,3-benzoxadiazole def: "4-nitro-7-(1-piperazinyl)-2,1,3-benzoxadiazole." [CAS:139332-66-4, PubChem_Compound:10586684, ChemSpiderID:8762060, ChemicalBookNo:CB1744464, PMID:27582321] synonym: "NBD-PZ" EXACT [] synonym: "4-nitro-7-piperazino-2,1,3-benzoxadiazole" EXACT [] is_a: XLMOD:06010 ! LCMS derivatization reagent relationship: has_property XLMOD:00015 ! fluorescent relationship: has_reactive_group XLMOD:00157 ! benzofurazan [Term] id: XLMOD:09215 name: 4-(aminosulfonyl)-7-(1-piperazinyl)-2,1,3-benzoxadiazole def: "4-(aminosulfonyl)-7-(1-piperazinyl)-2,1,3-benzoxadiazole." [ChemSpiderID:32684168, PMID:27582321] synonym: "ABD-PZ" EXACT [] synonym: "7-(1-Piperazinyl)-2,1,3-benzoxadiazole-4-sulfonamide" EXACT [] is_a: XLMOD:06010 ! LCMS derivatization reagent relationship: has_property XLMOD:00015 ! fluorescent relationship: has_reactive_group XLMOD:00157 ! benzofurazan [Term] id: XLMOD:09216 name: 4-(3-isothiocyanatopyrrolidin-1-yl)-7-(N,N-dimethylaminosulfonyl)-2,1,3-benzoxadiazole def: "4-(3-isothiocyanatopyrrolidin-1-yl)-7-(N,N-dimethylaminosulfonyl)-2,1,3-benzoxadiazole." [ChemSpiderID:3315424, PMID:27582321] synonym: "DBD-PyNCS" EXACT [] synonym: "7-(3-Isothiocyanato-1-pyrrolidinyl)-N,N-dimethyl-2,1,3-benzoxadiazole-4-sulfonamide" EXACT [] is_a: XLMOD:06009 ! chiral derivatization reagent is_a: XLMOD:06010 ! LCMS derivatization reagent relationship: has_property XLMOD:00015 ! fluorescent relationship: has_reactive_group XLMOD:00157 ! benzofurazan relationship: is_reactive_with XLMOD:00028 ! primary amine reactive [Term] id: XLMOD:09217 name: 4-(N,N-dimethylaminosulfonyl)-7-(2-carboxylpyrrolidine-1-yl)-2,1,3-benzoxadiazole def: "4-(N,N-dimethylaminosulfonyl)-7-(2-carboxylpyrrolidine-1-yl)-2,1,3-benzoxadiazole." [PMID:27582321] synonym: "DBD-Pro" EXACT [] is_a: XLMOD:06009 ! chiral derivatization reagent is_a: XLMOD:06010 ! LCMS derivatization reagent relationship: has_property XLMOD:00015 ! fluorescent relationship: has_reactive_group XLMOD:00157 ! benzofurazan relationship: is_reactive_with XLMOD:00028 ! primary amine reactive [Term] id: XLMOD:09218 name: 4-(N,N-dimethylaminosulfonyl)-7-(2-chroloformylpyrrolidine-1-yl)-2,1,3-benzoxadiazole def: "4-(N,N-dimethylaminosulfonyl)-7-(2-chroloformylpyrrolidine-1-yl)-2,1,3-benzoxadiazole." [PubChem_Compound:192501, PMID:27582321] synonym: "DBD-ProCOCl" EXACT [] is_a: XLMOD:06009 ! chiral derivatization reagent is_a: XLMOD:06010 ! LCMS derivatization reagent relationship: has_property XLMOD:00015 ! fluorescent relationship: has_reactive_group XLMOD:00158 ! halobenzofurazan [Term] id: XLMOD:09219 name: 4-nitro-7-(2-chroloformylpyrrolidine-1-yl)-2,1,3-benzoxadiazole def: "4-nitro-7-(2-chroloformylpyrrolidine-1-yl)-2,1,3-benzoxadiazole." [PMID:27582321] synonym: "NBD-ProCOCl" EXACT [] is_a: XLMOD:06009 ! chiral derivatization reagent is_a: XLMOD:06010 ! LCMS derivatization reagent relationship: has_property XLMOD:00015 ! fluorescent relationship: has_reactive_group XLMOD:00158 ! halobenzofurazan [Term] id: XLMOD:09220 name: 4-(2-carbazoylpyrrolidin-1-yl)-7-(N,N-dimethylaminosulfonyl)-2,1,3-benzoxadiazole def: "4-(2-carbazoylpyrrolidin-1-yl)-7-(N,N-dimethylaminosulfonyl)-2,1,3-benzoxadiazole." [PMID:27582321] synonym: "DBD-ProCZ" EXACT [] is_a: XLMOD:06009 ! chiral derivatization reagent is_a: XLMOD:06010 ! LCMS derivatization reagent relationship: has_property XLMOD:00015 ! fluorescent relationship: has_reactive_group XLMOD:00157 ! benzofurazan [Term] id: XLMOD:09221 name: 4-(2-carbazoylpyrrolidin-1-yl)-7-nitro-2,1,3-benzoxadiazole def: "4-(2-carbazoylpyrrolidin-1-yl)-7-nitro-2,1,3-benzoxadiazole." [PMID:27582321] synonym: "NBD-ProCZ" EXACT [] is_a: XLMOD:06009 ! chiral derivatization reagent is_a: XLMOD:06010 ! LCMS derivatization reagent relationship: has_property XLMOD:00015 ! fluorescent relationship: has_reactive_group XLMOD:00157 ! benzofurazan [Term] id: XLMOD:09222 name: 4-(N,N-dimethylaminosulfonyl)-7-(3-aminopyrrolidin-1-yl)-2,1,3-benzoxadiazole def: "4-(N,N-dimethylaminosulfonyl)-7-(3-aminopyrrolidin-1-yl)-2,1,3-benzoxadiazole." [ChemSpiderID:4320363, PMID:27582321, PMID:22761132] synonym: "DBD-APy" EXACT [] synonym: "7-(3-Amino-1-pyrrolidinyl)-N,N-dimethyl-2,1,3-benzoxadiazole-4-sulfonamide" EXACT [] is_a: XLMOD:06009 ! chiral derivatization reagent is_a: XLMOD:06010 ! LCMS derivatization reagent relationship: has_property XLMOD:00015 ! fluorescent relationship: has_reactive_group XLMOD:00157 ! benzofurazan [Term] id: XLMOD:09223 name: 4-nitro-7-(3-aminopyrrolidin-1-yl)-2,1,3-benzoxadiazole def: "4-nitro-7-(3-aminopyrrolidin-1-yl)-2,1,3-benzoxadiazole." [ChemSpiderID:3633688, PMID:27582321] synonym: "NBD-APy" EXACT [] synonym: "1-(7-Nitro-2,1,3-benzoxadiazol-4-yl)-3-pyrrolidinamine" EXACT [] is_a: XLMOD:06009 ! chiral derivatization reagent is_a: XLMOD:06010 ! LCMS derivatization reagent relationship: has_property XLMOD:00015 ! fluorescent relationship: has_reactive_group XLMOD:00157 ! benzofurazan [Term] id: XLMOD:09224 name: 1-(3-Aminopropyl)-3-bromoquinolinium bromide def: "1-(3-Aminopropyl)-3-bromoquinolinium bromide." [PMID:27582321] synonym: "APBQ" EXACT [] is_a: XLMOD:06010 ! LCMS derivatization reagent relationship: is_reactive_with XLMOD:00030 ! carboxyl reactive [Term] id: XLMOD:09225 name: (S)-1-(4,6-Dimethoxy-1,3,5-triazin-2-yl)pyrrolidin-3-amine def: "(S)-1-(4,6-Dimethoxy-1,3,5-triazin-2-yl)pyrrolidin-3-amine." [PMID:27582321, PMID:26526912] synonym: "DMT-3(S)-Apy" EXACT [] is_a: XLMOD:06009 ! chiral derivatization reagent is_a: XLMOD:06010 ! LCMS derivatization reagent relationship: is_reactive_with XLMOD:00030 ! carboxyl reactive [Term] id: XLMOD:09226 name: (S)-2,5-dioxopyrrolidin-1-yl-1-(4,6-dimethoxy-1,3,5-triazin-2-yl) pyrrolidine-2-carboxylate def: "(S)-2,5-dioxopyrrolidin-1-yl-1-(4,6-dimethoxy-1,3,5-triazin-2-yl) pyrrolidine-2-carboxylate." [PMID:27582321, PMID:26526912] synonym: "DMT-(S)-Pro-OSu" EXACT [] is_a: XLMOD:06009 ! chiral derivatization reagent is_a: XLMOD:06010 ! LCMS derivatization reagent relationship: is_reactive_with XLMOD:00028 ! amino reactice relationship: is_reactive_with XLMOD:06503 ! amino acid reactive [Term] id: XLMOD:09227 name: (R)-1-(4,6-Dimethoxy-1,3,5-triazin-2-yl)pyrrolidin-3-amine def: "(R)-1-(4,6-Dimethoxy-1,3,5-triazin-2-yl)pyrrolidin-3-amine." [PMID:26526912] synonym: "DMT-3(R)-Apy" EXACT [] is_a: XLMOD:06009 ! chiral derivatization reagent is_a: XLMOD:06010 ! LCMS derivatization reagent relationship: is_reactive_with XLMOD:00030 ! carboxyl reactive [Term] id: XLMOD:09228 name: (R)-2,5-dioxopyrrolidin-1-yl-1-(4,6-dimethoxy-1,3,5-triazin-2-yl) pyrrolidine-2-carboxylate def: "(R)-2,5-dioxopyrrolidin-1-yl-1-(4,6-dimethoxy-1,3,5-triazin-2-yl) pyrrolidine-2-carboxylate." [PMID:26526912] synonym: "DMT-(R)-Pro-OSu" EXACT [] is_a: XLMOD:06009 ! chiral derivatization reagent is_a: XLMOD:06010 ! LCMS derivatization reagent relationship: is_reactive_with XLMOD:00028 ! amino reactice relationship: is_reactive_with XLMOD:06503 ! amino acid reactive [Term] id: XLMOD:09229 name: (S)-4,6-dimethoxy-N-(pyrrolidin-3-yl)-1,3,5-triazin-2-amine def: "(S)-4,6-dimethoxy-N-(pyrrolidin-3-yl)-1,3,5-triazin-2-amine." [PMID:25366977] synonym: "DMT-1(S)-Apy" EXACT [] is_a: XLMOD:06009 ! chiral derivatization reagent is_a: XLMOD:06010 ! LCMS derivatization reagent relationship: is_reactive_with XLMOD:00030 ! carboxyl reactive [Term] id: XLMOD:09230 name: (R)-4,6-dimethoxy-N-(pyrrolidin-3-yl)-1,3,5-triazin-2-amine def: "(R)-4,6-dimethoxy-N-(pyrrolidin-3-yl)-1,3,5-triazin-2-amine." [PMID:25366977] synonym: "DMT-1(R)-Apy" EXACT [] is_a: XLMOD:06009 ! chiral derivatization reagent is_a: XLMOD:06010 ! LCMS derivatization reagent relationship: is_reactive_with XLMOD:00030 ! carboxyl reactive [Term] id: XLMOD:09231 name: 4-Methyl-1,2,4-triazole-3,5-dione def: "4-Methyl-1,2,4-triazole-3,5-dione." [ChemSpiderID:114186, PMID:27511712] synonym: "MTAD" EXACT [] synonym: "4-Methyl-TAD" EXACT [] is_a: XLMOD:09061 ! Cookson type reagent relationship: has_reactive_group XLMOD:00160 ! TAD [Term] id: XLMOD:09232 name: 4-(4-dimethylaminophenyl)-1,2,4-triazole-3,5-dione def: "4-(4-dimethylaminophenyl)-1,2,4-triazole-3,5-dione." [ChemSpiderID:28468701, PMID:27511712] synonym: "DMAPTAD" EXACT [] is_a: XLMOD:09061 ! Cookson type reagent relationship: has_reactive_group XLMOD:00160 ! TAD [Term] id: XLMOD:09233 name: deuterium labelled 4-(4-dimethylaminophenyl)-1,2,4-triazole-3,5-dione def: "Deuterium labelled 4-(4-dimethylaminophenyl)-1,2,4-triazole-3,5-dione." [ChemSpiderID:28468701, PMID:27511712] synonym: "DMAPTAD-d4" EXACT [] is_a: XLMOD:09061 ! Cookson type reagent relationship: has_reactive_group XLMOD:00160 ! TAD [Term] id: XLMOD:09234 name: 4-(4-diethylaminophenyl)-1,2,4-triazole-3,5-dione def: "4-(4-diethylaminophenyl)-1,2,4-triazole-3,5-dione." [PMID:27511712] synonym: "DEAPTAD" EXACT [] is_a: XLMOD:09061 ! Cookson type reagent relationship: is_labelled XLMOD:00010 ! deuterium labelled relationship: has_reactive_group XLMOD:00160 ! TAD [Term] id: XLMOD:09235 name: 2-hydrazino-4-trifluoromethylpyrimidine def: "2-hydrazino-4-trifluoromethylpyrimidine." [CAS:197305-97-8, ChemSpiderID:1064766, ChemicalBookNo:CB7444959, PubChem_Compound:1268079, PMID:26454158] synonym: "HTP" EXACT [] is_a: XLMOD:06010 ! LCMS derivatization reagent relationship: has_reactive_group XLMOD:00159 ! hydrazine relationship: is_reactive_with XLMOD:06512 ! steroid reactive [Term] id: XLMOD:09236 name: N-methyl-nicotinic acid N-hydroxysuccinimide ester def: "N-methyl-nicotinic acid N-hydroxysuccinimide ester." [PMID:26454158] synonym: "MNAHS" EXACT [] is_a: XLMOD:06010 ! LCMS derivatization reagent relationship: is_reactive_with XLMOD:00031 ! aldehyde reactive relationship: is_reactive_with XLMOD:06510 ! ketone reactive relationship: is_reactive_with XLMOD:06512 ! steroid reactive [Term] id: XLMOD:09237 name: o-(3-trimethylammoniumpropyl)hydroxylamine def: "O-(3-trimethylammoniumpropyl)hydroxylamine." [PMID:26454158] synonym: "TMAPH" EXACT [] is_a: XLMOD:06010 ! LCMS derivatization reagent relationship: is_reactive_with XLMOD:00031 ! aldehyde reactive relationship: is_reactive_with XLMOD:06510 ! ketone reactive relationship: is_reactive_with XLMOD:06512 ! steroid reactive [Term] id: XLMOD:09238 name: methoxylamine def: "Methoxylamine." [CAS:67-62-9, PubChem_Compound:4113, ChemSpiderID:3970, ChemicalBookNo:CB4931737, PMID:26454158] synonym: "OMHA" EXACT [] synonym: "methoxyamine" EXACT [] is_a: XLMOD:06010 ! LCMS derivatization reagent relationship: is_reactive_with XLMOD:00031 ! aldehyde reactive relationship: has_reactive_group XLMOD:00133 ! amine reactive group relationship: is_reactive_with XLMOD:06510 ! ketone reactive relationship: is_reactive_with XLMOD:06512 ! steroid reactive [Term] id: XLMOD:09239 name: acetyl chloride def: "Acetyl chloride." [CAS:75-36-5, PubChem_Compound:6367, ChemSpiderID:6127, ChemicalBookNo:CB4485487, PMID:16458590] is_a: XLMOD:06010 ! LCMS derivatization reagent relationship: has_reactive_group XLMOD:00155 ! acyl chloride [Term] id: XLMOD:09240 name: 2,4-dinitrobenzoyl chloride def: "2,4-dinitrobenzoyl chloride." [CAS:20195-22-6, PubChem_Compound:88401, ChemSpiderID:79755, ChemicalBookNo:CB6933038, PMID:17765276] synonym: "DNBC" EXACT [] is_a: XLMOD:06010 ! LCMS derivatization reagent relationship: has_reactive_group XLMOD:00155 ! acyl chloride [Term] id: XLMOD:09241 name: 4-[2-(N,Ndimethylamino)ethylaminosulfonyl]-7-chloro-2,1,3-benzoxadiazole def: "4-[2-(N,Ndimethylamino)ethylaminosulfonyl]-7-chloro-2,1,3-benzoxadiazole." [CAS:664985-43-7, PubChem_Compound:44629802, ChemSpiderID:24589237, ChemicalBookNo:CB9423743, PMID:17590866] synonym: "DAABD-Cl" EXACT [] synonym: "7-Chloro-N-[2-(dimethylamino)ethyl]-2,1,3-benzoxadiazole-4-sulfonamide" EXACT [] is_a: XLMOD:06010 ! LCMS derivatization reagent relationship: has_reactive_group XLMOD:00157 ! benzofurazan [Term] id: XLMOD:09242 name: 4-nitrobenzenesulfonyl chloride def: "4-nitrobenzenesulfonyl chloride." [CAS:98-74-8, PubChem_Compound:7404, ChemSpiderID:7126, ChemicalBookNo:CB7298161, PMID:16609843] synonym: "4-NBSC" EXACT [] synonym: "Nosyl chloride" EXACT [] is_a: XLMOD:06010 ! LCMS derivatization reagent relationship: has_reactive_group XLMOD:00156 ! sulfonyl chloride [Term] id: XLMOD:09243 name: Sanger type reagent def: "A LC-MS derivatization reagent containing a fluoro-dinitrobenzene structure." [PSI:XL] synonym: "Sanger's reagent" EXACT [] is_a: XLMOD:06010 ! LCMS derivatization reagent relationship: has_property XLMOD:00013 ! membrane permeable relationship: has_reactive_group XLMOD:00145 ! aryl halide relationship: is_reactive_with XLMOD:00028 ! primary amine reactive relationship: is_reactive_with XLMOD:06500 ! secondary amine reactive relationship: is_reactive_with XLMOD:06503 ! amino acid reactive [Term] id: XLMOD:09244 name: Marfey type reagent def: "A LC-MS derivatization reagent containing a fluoro-dinitrophenyl structure." [PSI:XL] synonym: "Marfey's reagent" EXACT [] synonym: "MR" EXACT [] is_a: XLMOD:06010 ! LCMS derivatization reagent relationship: has_property XLMOD:00013 ! membrane permeable relationship: has_reactive_group XLMOD:00145 ! aryl halide relationship: is_reactive_with XLMOD:00028 ! primary amine reactive relationship: is_reactive_with XLMOD:06500 ! secondary amine reactive relationship: is_reactive_with XLMOD:06503 ! amino acid reactive [Term] id: XLMOD:09245 name: N-(2,4-dinitro-5-fluorophenyl)-L-alaninamide def: "N-(2,4-dinitro-5-fluorophenyl)-L-alaninamide." [CAS:95713-52-3, PubChem_Compound:5486955, ChemSpiderID:4589152, ChemicalBookNo:CB5413540] synonym: "L-FDAA" EXACT [] synonym: "1-Fluoro-2,4-dinitrophenyl-5-L-alanine amide" EXACT [] is_a: XLMOD:06009 ! chiral derivatization reagent is_a: XLMOD:09244 ! Marfey type reagent relationship: has_fluorophore XLMOD:06104 ! 2,4-dinitrophenyl relationship: has_reactive_group XLMOD:00145 ! aryl halide [Term] id: XLMOD:09246 name: N-(2,4-dinitro-5-fluorophenyl)-D-alaninamide def: "N-(2,4-dinitro-5-fluorophenyl)-D-alaninamide." [CAS:95713-52-3, PubChem_Compound:5486955, ChemSpiderID:4589152, ChemicalBookNo:CB5413540] synonym: "D-FDAA" EXACT [] synonym: "1-Fluoro-2,4-dinitrophenyl-5-D-alanine amide" EXACT [] is_a: XLMOD:06009 ! chiral derivatization reagent is_a: XLMOD:09244 ! Marfey type reagent relationship: has_fluorophore XLMOD:06104 ! 2,4-dinitrophenyl relationship: has_reactive_group XLMOD:00145 ! aryl halide [Term] id: XLMOD:09247 name: N-(5-fluoro-2,4-dinitrophenyl)-L-leucinamide def: "N-(5-fluoro-2,4-dinitrophenyl)-L-leucinamide." [PMID:26496130] synonym: "L-FDLA" EXACT [] is_a: XLMOD:06009 ! chiral derivatization reagent is_a: XLMOD:09244 ! Marfey type reagent relationship: has_fluorophore XLMOD:06104 ! 2,4-dinitrophenyl relationship: has_reactive_group XLMOD:00145 ! aryl halide [Term] id: XLMOD:09248 name: hexyl chloroformate def: "Hexyl chloroformate." [CAS:6092-54-2, PubChem_Compound:22466, ChemSpiderID:21071, ChemicalBookNo:CB2782111] synonym: "HCF" EXACT [] is_a: XLMOD:06018 ! chloroformate reagent [Term] id: XLMOD:09249 name: 1,2-Benzo-3,4-dihydrocarbazole-9-ethyl chloroformate def: "1,2-Benzo-3,4-dihydrocarbazole-9-ethyl chloroformate." [PMID:18970343] synonym: "BCEOC" EXACT [] is_a: XLMOD:06018 ! chloroformate reagent [Term] id: XLMOD:09250 name: (-)-1-(9-fluorenyl)-ethyl chloroformate def: "(-)-1-(9-fluorenyl)-ethyl chloroformate." [PMID:25082527] synonym: "-FLEC" EXACT [] is_a: XLMOD:06009 ! chiral derivatization reagent is_a: XLMOD:06018 ! chloroformate reagent [Term] id: XLMOD:09251 name: (+)-1-(9-fluorenyl)-ethyl chloroformate def: "(+)-1-(9-fluorenyl)-ethyl chloroformate." [PMID:29785784] synonym: "+FLEC" EXACT [] is_a: XLMOD:06009 ! chiral derivatization reagent is_a: XLMOD:06018 ! chloroformate reagent [Term] id: XLMOD:09252 name: 1,2-Benzo-3,4-dihydrocarbazole-9-ethyl-benzenesulfonate def: "1,2-Benzo-3,4-dihydrocarbazole-9-ethyl-benzenesulfonate." [PMID:19525080, PMID:17305246] synonym: "BDEBS" EXACT [] is_a: XLMOD:06010 ! LCMS derivatization reagent relationship: has_reactive_group XLMOD:00165 ! sulfonate relationship: is_reactive_with XLMOD:06524 ! bile acid reactive [Term] id: XLMOD:09253 name: 2-(2,3-Naphthalimino)ethyl trifluoromethanesulfonate def: "2-(2,3-Naphthalimino)ethyl trifluoromethanesulfonate." [CAS:128651-50-3, ChemSpiderID:11563131, ChemicalBookNo:CB7667550_EN, DOI:10.2116/bunsekikagaku.53.161] synonym: "NE-OTf" EXACT [] synonym: "2-(2,3-Naphthalimino)ethyl trifluoromethanesulphonate" EXACT [] is_a: XLMOD:06010 ! LCMS derivatization reagent relationship: has_reactive_group XLMOD:00165 ! sulfonate [Term] id: XLMOD:09254 name: 4-[2-(N,N-dimethylamino)ethylaminosulfonyl]-7-N-piperazino-2,1,3-benzoxadiazole def: "4-[2-(N,N-dimethylamino)ethylaminosulfonyl]-7-N-piperazino-2,1,3-benzoxadiazole." [PMID:17590866] synonym: "DAABD-PZ" EXACT [] is_a: XLMOD:06010 ! LCMS derivatization reagent relationship: has_reactive_group XLMOD:00157 ! benzofurazan [Term] id: XLMOD:09255 name: 4-[4-carbazoylpiperidin-1-yl]-7-[2-(N,N-dimethylamino)ethylaminosulfonyl]-2,1,3-benzoxadiazole def: "4-[4-carbazoylpiperidin-1-yl]-7-[2-(N,N-dimethylamino)ethylaminosulfonyl]-2,1,3-benzoxadiazole." [PMID:17590866] synonym: "DAABD-PiCZ" EXACT [] is_a: XLMOD:06010 ! LCMS derivatization reagent relationship: has_reactive_group XLMOD:00157 ! benzofurazan [Term] id: XLMOD:09256 name: 4-[2-carbazoylpyrrolidin-1-yl]-7-[2-(N,N-dimethylamino)ethylaminosulfonyl]-2,1,3-benzoxadiazole def: "4-[2-carbazoylpyrrolidin-1-yl]-7-[2-(N,N-dimethylamino)ethylaminosulfonyl]-2,1,3-benzoxadiazole." [PMID:17590866] synonym: "DAABD-ProCZ" EXACT [] is_a: XLMOD:06010 ! LCMS derivatization reagent relationship: has_reactive_group XLMOD:00157 ! benzofurazan [Term] id: XLMOD:09257 name: 4-[2-(N,N-dimethylamino)ethylaminosulfonyl]-7-(3-aminopyrrolidin-1-yl)-2,1,3-benzoxadiazole def: "4-[2-(N,N-dimethylamino)ethylaminosulfonyl]-7-(3-aminopyrrolidin-1-yl)-2,1,3-benzoxadiazole." [PMID:17590866] synonym: "DAABD-APy" EXACT [] is_a: XLMOD:06010 ! LCMS derivatization reagent relationship: has_reactive_group XLMOD:00157 ! benzofurazan [Term] id: XLMOD:09258 name: 4-[2-(N,N-dimethylamino)ethylaminosulfonyl]-7-N-methylhydrazino-2,1,3-benzoxadiazole def: "4-[2-(N,N-dimethylamino)ethylaminosulfonyl]-7-N-methylhydrazino-2,1,3-benzoxadiazole." [PMID:17703478] synonym: "DAABD-MHz" EXACT [] is_a: XLMOD:06010 ! LCMS derivatization reagent relationship: has_reactive_group XLMOD:00157 ! benzofurazan [Term] id: XLMOD:09259 name: 4-[2-(N,N-dimethylamino) ethylaminosulfonyl]-7-(2-aminobutylamino)-2,1,3-benzoxadiazole def: "4-[2-(N,N-dimethylamino) ethylaminosulfonyl]-7-(2-aminobutylamino)-2,1,3-benzoxadiazole." [PMID:17703478] synonym: "DAABD-AB" EXACT [] is_a: XLMOD:06010 ! LCMS derivatization reagent relationship: has_reactive_group XLMOD:00157 ! benzofurazan [Term] id: XLMOD:09260 name: 4-[2-(N,N-dimethylamino)ethylaminosulfonyl]-7-(2-aminopentylamino)-2,1,3-benzoxadiazole def: "4-[2-(N,N-dimethylamino)ethylaminosulfonyl]-7-(2-aminopentylamino)-2,1,3-benzoxadiazole." [PMID:17703478] synonym: "DAABD-AP" EXACT [] is_a: XLMOD:06010 ! LCMS derivatization reagent relationship: has_reactive_group XLMOD:00157 ! benzofurazan [Term] id: XLMOD:09261 name: [4-(4-N-methyl)piperazinosulfonyl]-7-(2-aminoethylamino)-2,1,3-benzoxadiazole def: "[4-(4-N-methyl)piperazinosulfonyl]-7-(2-aminoethylamino)-2,1,3-benzoxadiazole." [PMID:17590866] synonym: "MePzBD-Cl" EXACT [] is_a: XLMOD:06010 ! LCMS derivatization reagent relationship: has_reactive_group XLMOD:00157 ! benzofurazan [Term] id: XLMOD:09262 name: [4-(4-N-methyl)-piperazinosulfonyl]-7-chloro-2,1,3-benzoxadiazole def: "[4-(4-N-methyl)-piperazinosulfonyl]-7-chloro-2,1,3-benzoxadiazole." [PSI:XL] synonym: "MePzBD-AE" EXACT [] is_a: XLMOD:06010 ! LCMS derivatization reagent relationship: has_reactive_group XLMOD:00157 ! benzofurazan [Term] id: XLMOD:09263 name: 4-[[(N-hydrazinoformyl)methyl]-N-methyl]amino-7-[N,N-(dimethylamino)sulfonyl]-2,1,3-benzoxadiazole def: "4-[[(N-hydrazinoformyl)methyl]-N-methyl]amino-7-[N,N-(dimethylamino)sulfonyl]-2,1,3-benzoxadiazole." [PMID:21639306] synonym: "DBD-COHZ" EXACT [] is_a: XLMOD:06010 ! LCMS derivatization reagent relationship: has_reactive_group XLMOD:00157 ! benzofurazan [Term] id: XLMOD:09264 name: 2,4-Dinitro-6-trifluoromethylphenylhydrazine def: "2,4-Dinitro-6-trifluoromethylphenylhydrazine." [CAS:119-26-6, PubChem_Compound:3772977, ChemSpiderID:3001507, ChemicalBookNo:CB4852908, PMID:12502079] synonym: "DNFPH" EXACT [] is_a: XLMOD:06010 ! LCMS derivatization reagent relationship: has_reactive_group XLMOD:00159 ! hydrazine [Term] id: XLMOD:09266 name: 2-Amino-N,N,N-trimethylethanaminium chloride def: "2-Amino-N,N,N-trimethylethanaminium chloride." [ChemSpiderID:2340954] synonym: "CA" EXACT [] is_a: XLMOD:06010 ! LCMS derivatization reagent relationship: has_reactive_group XLMOD:00133 ! amine reactive group [Term] id: XLMOD:09267 name: 4-(1'-cyanoisoindolyl)phenylisothiocyanate def: "4-(1'-cyanoisoindolyl)phenylisothiocyanate." [PMID:12485718] synonym: "CIPIC" EXACT [] is_a: XLMOD:06010 ! LCMS derivatization reagent relationship: has_reactive_group XLMOD:00162 ! isothiocyanate [Term] id: XLMOD:09268 name: 2,3,4,6-Tetra-O-acetyl-beta-D-glucopyranosyl isothiocyanate def: "2,3,4,6-Tetra-O-acetyl-beta-D-glucopyranosyl isothiocyanate." [CAS:14152-97-7, Beilstein:56699, MDL:MFCD00043085, PubChem_Compound:99462, ChemSpiderID:89858, ChemicalBookNo:CB7320022, PMID:19662356] synonym: "GITC" EXACT [] synonym: "TAGIT" EXACT [] is_a: XLMOD:06009 ! chiral derivatization reagent is_a: XLMOD:06010 ! LCMS derivatization reagent relationship: has_reactive_group XLMOD:00162 ! isothiocyanate [Term] id: XLMOD:09269 name: 4-Dimethylaminophenyl isothiocyanate def: "4-Dimethylaminophenyl isothiocyanate." [CAS:2131-64-8, PubChem_Compound:75047, ChemSpiderID:67599, ChemicalBookNo:CB6742874, PMID:23010846] synonym: "DMAPI" EXACT [] is_a: XLMOD:06010 ! LCMS derivatization reagent relationship: has_reactive_group XLMOD:00162 ! isothiocyanate relationship: is_reactive_with XLMOD:06512 ! steroid reactive [Term] id: XLMOD:09270 name: dimethylaminoazobenzene isothiocyanate def: "Dimethylaminoazobenzene isothiocyanate." [CAS:7612-98-8, PubChem_Compound:82084, ChemSpiderID:74082, ChemicalBookNo:74082, PMID:6426344] synonym: "DABITC" EXACT [] is_a: XLMOD:06010 ! LCMS derivatization reagent relationship: has_reactive_group XLMOD:00162 ! isothiocyanate [Term] id: XLMOD:09272 name: trimellitic anhydride def: "Trimellitic anhydride." [CAS:552-30-7, PubChem_Compound:11089, ChemSpiderID:10618, ChemicalBookNo:CB5293056] synonym: "TMA" EXACT [] is_a: XLMOD:06010 ! LCMS derivatization reagent relationship: has_reactive_group XLMOD:00166 ! anhydride [Term] id: XLMOD:09274 name: 3-bromoactonyltrimethylammonium bromide def: "3-bromoactonyltrimethylammonium bromide." [DOI:10.1016/j.trac.2014.03.013] synonym: "BTA" EXACT [] is_a: XLMOD:06010 ! LCMS derivatization reagent relationship: is_reactive_with XLMOD:00030 ! carboxyl reactive [Term] id: XLMOD:09275 name: 5,5'-dimethyl-1,3-cyclohexanedione def: "5,5'-dimethyl-1,3-cyclohexanedione." [CAS:126-81-8, PubChem_Compound:31358, ChemSpiderID:29091, ChemicalBookNo:CB1741746] is_a: XLMOD:06010 ! LCMS derivatization reagent relationship: is_reactive_with XLMOD:00031 ! aldehyde reactive relationship: is_reactive_with XLMOD:06510 ! ketone reactive [Term] id: XLMOD:09276 name: 4-(dimethylamino)-benzoic acid def: "4-(dimethylamino)-benzoic acid." [CAS:619-84-1, PubChem_Compound:12092, ChemSpiderID:11595, ChemicalBookNo:CB4190291] synonym: "DMBA" EXACT [] is_a: XLMOD:06010 ! LCMS derivatization reagent relationship: is_reactive_with XLMOD:06512 ! steroid reactive [Term] id: XLMOD:09277 name: 1,2-dimethylimidazole-4-sulfonyl chloride def: "1,2-dimethylimidazole-4-sulfonyl chloride." [CAS:137049-02-6, PubChem_Compound:2736256, ChemSpiderID:2017929, ChemicalBookNo:CB3236772] synonym: "DMISC" EXACT [] is_a: XLMOD:06010 ! LCMS derivatization reagent relationship: has_reactive_group XLMOD:00156 ! sulfonyl chloride [Term] id: XLMOD:09278 name: N-(2-ferroceneethyl)maleimide def: "N-(2-ferroceneethyl)maleimide." [ChemSpiderID:10158611] synonym: "FEM" EXACT [] is_a: XLMOD:06010 ! LCMS derivatization reagent relationship: has_reactive_group XLMOD:00106 ! maleimide [Term] id: XLMOD:09279 name: ferrocenecarboxylic acid-(2-maleimidoyl)ethylamide def: "Ferrocenecarboxylic acid-(2-maleimidoyl)ethylamide." [DOI:10.1016/j.trac.2014.03.013] synonym: "FMEA" EXACT [] is_a: XLMOD:06010 ! LCMS derivatization reagent relationship: has_reactive_group XLMOD:00106 ! maleimide [Term] id: XLMOD:09280 name: heptadecafluoroundecylamine def: "Heptadecafluoroundecylamine." [DOI:10.1016/j.trac.2014.03.013] synonym: "HFUA" EXACT [] is_a: XLMOD:06010 ! LCMS derivatization reagent relationship: is_reactive_with XLMOD:06523 ! sialic acid reactive [Term] id: XLMOD:09281 name: 4-hydrazino-N,N,N-trimethyl-4-oxobutanaminium iodide def: "4-hydrazino-N,N,N-trimethyl-4-oxobutanaminium iodide." [DOI:10.1016/j.trac.2014.03.013] synonym: "HTMOB" EXACT [] is_a: XLMOD:06010 ! LCMS derivatization reagent relationship: is_reactive_with XLMOD:00031 ! aldehyde reactive relationship: is_reactive_with XLMOD:06510 ! ketone reactive [Term] id: XLMOD:09282 name: 3-aminophenylboronic acid def: "3-aminophenylboronic acid." [CAS:280563-63-5, PubChem_Compound:92269, ChemSpiderID:83303, ChemicalBookNo:CB3357729] synonym: "m-APBA" EXACT [] is_a: XLMOD:06010 ! LCMS derivatization reagent relationship: has_reactive_group XLMOD:00161 ! boronic acid relationship: is_reactive_with XLMOD:06512 ! steroid reactive [Term] id: XLMOD:09283 name: 1,2-naphthoquinone-4-sulfonate def: "1,2-naphthoquinone-4-sulfonate." [CAS:2066-93-5, PubChem_Compound:10637, ChemSpiderID:10191, ChemicalBookNo:CB4898119] synonym: "NQS" EXACT [] synonym: "3,4-dihydro-3,4-dioxonaphthalene-1-sulphonic acid" EXACT [] is_a: XLMOD:06010 ! LCMS derivatization reagent relationship: has_reactive_group XLMOD:00165 ! sulfonate relationship: is_reactive_with XLMOD:00028 ! primary amine reactive [Term] id: XLMOD:09284 name: 2-bromo-4'-chloroacetophenone def: "2-bromo-4'-chloroacetophenone." [CAS:536-38-9, PubChem_Compound:68303, ChemSpiderID:61599, ChemicalBookNo:CB4198611] synonym: "p-CPB" EXACT [] synonym: "4-Chloro-2'-bromoacetophenone" EXACT [] is_a: XLMOD:06010 ! LCMS derivatization reagent relationship: is_reactive_with XLMOD:00029 ! sulfhydryl reactive [Term] id: XLMOD:09285 name: 1-pyrenemethylamine def: "1-pyrenemethylamine." [CAS:3786-54-7, PubChem_Compound:2794252, ChemSpiderID:2073158] synonym: "PMA" EXACT [] is_a: XLMOD:06010 ! LCMS derivatization reagent relationship: is_reactive_with XLMOD:00030 ! carboxyl reactive [Term] id: XLMOD:09286 name: succinimidylferrocenyl propionate def: "Succinimidylferrocenyl propionate." [PubChem_Compound:129849850] synonym: "SFP" EXACT [] is_a: XLMOD:06010 ! LCMS derivatization reagent relationship: is_reactive_with XLMOD:00028 ! primary amine reactive [Term] id: XLMOD:09287 name: N-succinimidyl-2(3-pyridyl)acetate def: "N-succinimidyl-2(3-pyridyl)acetate." [DOI:10.1016/j.trac.2014.03.013] synonym: "SPA" EXACT [] is_a: XLMOD:06010 ! LCMS derivatization reagent relationship: is_reactive_with XLMOD:00028 ! primary amine reactive [Term] id: XLMOD:09288 name: 7-chloro-2,1,3-benzoxadiazole-4-sulfonylaminoethyltrimethylammonium chloride def: "7-chloro-2,1,3-benzoxadiazole-4-sulfonylaminoethyltrimethylammonium chloride." [DOI:10.1016/j.trac.2014.03.013] synonym: "TAABD-Cl" EXACT [] is_a: XLMOD:06010 ! LCMS derivatization reagent relationship: is_reactive_with XLMOD:06513 ! thiol reactive [Term] id: XLMOD:09289 name: 1,2-benzo-3,4-dihydrocarbazole-9-p-toluenesulfonate def: "1,2-benzo-3,4-dihydrocarbazole-9-p-toluenesulfonate." [PMID:17305246] synonym: "BDETS" EXACT [] is_a: XLMOD:06010 ! LCMS derivatization reagent relationship: has_reactive_group XLMOD:00165 ! sulfonate relationship: is_reactive_with XLMOD:06524 ! bile acid reactive [Term] id: XLMOD:09290 name: tetramethylammonium hydroxide def: "Tetramethylammonium hydroxide." [CAS:75-59-2, PubChem_Compound:60966, ChemSpiderID:54928, ChemicalBookNo:CB2854236, PMID:19525080] synonym: "TMAH" EXACT [] is_a: XLMOD:06010 ! LCMS derivatization reagent [Term] id: XLMOD:09291 name: trimethylsulfonium hydroxide def: "Trimethylsulfonium hydroxide." [CAS:17287-03-5, PubChem_Compound:11105313, ChemSpiderID:9280449, ChemicalBookNo:CB1421127, PMID:19525080] synonym: "TMSH" EXACT [] is_a: XLMOD:06002 ! alkylation reagent is_a: XLMOD:06010 ! LCMS derivatization reagent [Term] id: XLMOD:09292 name: 1-[2-(p-toluenesulfonate)-ethyl]-2-phenylimidazole-[4,5-f-]-9,10-phenantrene def: "1-[2-(p-toluenesulfonate)-ethyl]-2-phenylimidazole-[4,5-f-]-9,10-phenantrene." [PMID:19525080] synonym: "TSPP" EXACT [] is_a: XLMOD:06010 ! LCMS derivatization reagent relationship: has_property XLMOD:00015 ! fluorescent [Term] id: XLMOD:09293 name: 1-pyrenyldiazomethane def: "1-pyrenyldiazomethane." [CAS:78377-23-8, PubChem_Compound:2762674, ChemSpiderID:2043377, ChemicalBookNo:CB1374735, DOI:10.1016/j.trac.2011.05.005] synonym: "PDAM" EXACT [] is_a: XLMOD:06010 ! LCMS derivatization reagent relationship: has_property XLMOD:00015 ! fluorescent [Term] id: XLMOD:09294 name: 4- bromomethyl-6,7-methylenedioxycoumarin def: "4- bromomethyl-6,7-methylenedioxycoumarin." [CAS:97744-84-8, PubChem_Compound:126818, ChemSpiderID:112631, ChemicalBookNo:CB71326458, PMID:19525080] synonym: "Br-MDC" EXACT [] is_a: XLMOD:06010 ! LCMS derivatization reagent relationship: has_property XLMOD:00015 ! fluorescent relationship: is_reactive_with XLMOD:00030 ! carboxyl reactive [Term] id: XLMOD:09295 name: 9-anthryldiazomethane def: "9-anthryldiazomethane." [CAS:10401-59-9, PubChem_Compound:3035201, ChemSpiderID:2299498, ChemicalBookNo:CB1185515, PMID:19525080] synonym: "ADAM" EXACT [] is_a: XLMOD:06010 ! LCMS derivatization reagent relationship: has_property XLMOD:00015 ! fluorescent [Term] id: XLMOD:09296 name: 4-bromomethyl-7,8-benzcoumarin def: "4-bromomethyl-7,8-benzcoumarin." [PMID:7866666] synonym: "BrMBC" EXACT [] is_a: XLMOD:06010 ! LCMS derivatization reagent relationship: has_property XLMOD:00015 ! fluorescent [Term] id: XLMOD:09297 name: 4-diazomethyl-7-methoxycoumarin def: "4-diazomethyl-7-methoxycoumarin." [CAS:84471-16-9, PubChem_Compound:54478954, PMID:7866666] synonym: "DMMC" EXACT [] is_a: XLMOD:06010 ! LCMS derivatization reagent relationship: has_property XLMOD:00015 ! fluorescent [Term] id: XLMOD:09298 name: 4-bromomethyl-7-acetoxycoumarin def: "4-bromomethyl-7-acetoxycoumarin." [CAS:2747-04-8, PubChem_Compound:188296, ChemSpiderID:163663, ChemicalBookNo:CB3141928, PMID:7866666] synonym: "BrMAC" EXACT [] synonym: "7-Acetoxy-4-bromomethylcoumarin" EXACT [] is_a: XLMOD:06010 ! LCMS derivatization reagent relationship: has_property XLMOD:00015 ! fluorescent [Term] id: XLMOD:09299 name: 4-bromomethyl-6,7-dimethoxycoumarin def: "4-bromomethyl-6,7-dimethoxycoumarin." [CAS:88404-25-5, PubChem_Compound:128870, ChemSpiderID:114199, ChemicalBookNo:CB8200312, PMID:7866666] synonym: "BrDMC" EXACT [] is_a: XLMOD:06010 ! LCMS derivatization reagent relationship: has_property XLMOD:00015 ! fluorescent [Term] id: XLMOD:09300 name: N-(1-naphthyl)ethylene diamine dihydrochloride def: "N-(1-naphthyl)ethylene diamine dihydrochloride." [CAS:1465-25-4, PubChem_Compound:15106, ChemSpiderID:14378, ChemicalBookNo:CB4853112, PMID:19525080] synonym: "NEDA" EXACT [] is_a: XLMOD:06010 ! LCMS derivatization reagent relationship: has_property XLMOD:00015 ! fluorescent relationship: has_reactive_group XLMOD:00133 ! amine reactive group [Term] id: XLMOD:09301 name: 9-aminophenanthrene def: "9-aminophenanthrene." [CAS:947-73-9, PubChem_Compound:13695, ChemSpiderID:13102, ChemicalBookNo:CB2175009, PMID:6707158] synonym: "9-AP" EXACT [] is_a: XLMOD:06010 ! LCMS derivatization reagent relationship: has_property XLMOD:00015 ! fluorescent relationship: has_reactive_group XLMOD:00133 ! amine reactive group [Term] id: XLMOD:09302 name: 2-[p-(5,6-Methylenedioxy-2H-benzotriazol-2-yl)]phenethylamine def: "2-[p-(5,6-Methylenedioxy-2H-benzotriazol-2-yl)]phenethylamine." [PMID:19525080] synonym: "MBPA" EXACT [] is_a: XLMOD:06010 ! LCMS derivatization reagent relationship: has_property XLMOD:00015 ! fluorescent relationship: has_reactive_group XLMOD:00133 ! amine reactive group [Term] id: XLMOD:09303 name: succinimidyloxycarbonylmethyl tris(2,4,6-trimethoxyphenyl)phosphonium bromide def: "Succinimidyloxycarbonylmethyl tris(2,4,6-trimethoxyphenyl)phosphonium bromide." [ChemSpiderID:24769591, PMID:20533316] synonym: "TMPP-Ac-OSu" EXACT [] is_a: XLMOD:06010 ! LCMS derivatization reagent [Term] id: XLMOD:09304 name: 9-(hydroxymethyl)anthracene def: "9-(hydroxymethyl)anthracene." [CAS:1468-95-7, PubChem_Compound:73848, ChemSpiderID:66482, ChemicalBookNo:CB1205101, PMID:20533316] synonym: "HMA" EXACT [] synonym: "9-Anthracenemethanol" EXACT [] is_a: XLMOD:06010 ! LCMS derivatization reagent [Term] id: XLMOD:09305 name: 5-dimethylamino-1-naphthalenesulfonyl aminoethanol def: "5-dimethylamino-1-naphthalenesulfonyl aminoethanol." [PMID:20533316] synonym: "DNS-AE" EXACT [] is_a: XLMOD:06010 ! LCMS derivatization reagent relationship: is_reactive_with XLMOD:00030 ! carboxyl reactive [Term] id: XLMOD:09306 name: 2-(anthracene-2,3-dicarboximdo)ethyl-trifluoromethanesulfonate def: "2-(anthracene-2,3-dicarboximdo)ethyl-trifluoromethanesulfonate." [PMID:19525080] synonym: "AE-OTf" EXACT [] is_a: XLMOD:06010 ! LCMS derivatization reagent relationship: has_reactive_group XLMOD:00165 ! sulfonate [Term] id: XLMOD:09307 name: 2-(2-naphthoxy)ethyl-2-(piperidino)ethanesulfonate def: "2-(2-naphthoxy)ethyl-2-(piperidino)ethanesulfonate." [ChemSpiderID:67166452, PMID:19525080] synonym: "NOEPES" EXACT [] is_a: XLMOD:06010 ! LCMS derivatization reagent relationship: has_reactive_group XLMOD:00165 ! sulfonate [Term] id: XLMOD:09308 name: N-(4-Amidobutyl)-N-ethylisoluminol def: "N-(4-Amidobutyl)-N-ethylisoluminol." [CAS:66612-29-1, PubChem_Compound:196441, ChemSpiderID:170196, ChemicalBookNo:CB8393526, PMID:19525080] synonym: "ABEI" EXACT [] is_a: XLMOD:06010 ! LCMS derivatization reagent [Term] id: XLMOD:09309 name: 6-[N-(4-aminobutyl)methylamino]-2,3-dihydro-1,4-phthalazinedione def: "6-[N-(4-aminobutyl)methylamino]-2,3-dihydro-1,4-phthalazinedione." [PMID:19525080] synonym: "ABMI" EXACT [] is_a: XLMOD:06010 ! LCMS derivatization reagent [Term] id: XLMOD:09310 name: 6-[N-(3-propionohydrazino)thioureido]benzo[g]-phthalazine-1,4-(2H,3H)-dione def: "6-[N-(3-propionohydrazino)thioureido]benzo[g]-phthalazine-1,4-(2H,3H)-dione." [PMID:19525080] synonym: "PRBO" EXACT [] is_a: XLMOD:06010 ! LCMS derivatization reagent [Term] id: XLMOD:09311 name: triethylamine def: "Triethylamine." [CAS:121-44-8, PubChem_Compound:8471, ChemSpiderID:8158, ChemicalBookNo:CB5355941] synonym: "TEA" EXACT [] is_a: XLMOD:06010 ! LCMS derivatization reagent [Term] id: XLMOD:09312 name: trifluoroacetic acid def: "Trifluoroacetic acid." [CAS:76-05-1, PubChem_Compound:6422, ChemSpiderID:10239201, ChemicalBookNo:CB5127175] synonym: "TFA" EXACT [] is_a: XLMOD:06010 ! LCMS derivatization reagent [Term] id: XLMOD:09313 name: p-Bromophenacylate def: "4-Bromophenacylate." [PSI:XL] synonym: "Phenacyl-8" EXACT [] is_a: XLMOD:06004 ! acylation reagent is_a: XLMOD:06010 ! LCMS derivatization reagent relationship: has_fluorophore XLMOD:06111 ! 4-bromophenacyl relationship: is_reactive_with XLMOD:00030 ! carboxyl reactive [Term] id: XLMOD:09314 name: Dabsyl chloride def: "Dabsyl chloride." [CAS:56512-49-3, PubChem_Compound:91660, Beilstein:3064095, MDL:MFCD00007444, ChemSpiderID:82763, ChemicalBookNo:CB3699737] synonym: "DAB-Cl" EXACT [] is_a: XLMOD:06010 ! LCMS derivatization reagent relationship: has_reactive_group XLMOD:00133 ! amine reactive group [Term] id: XLMOD:09315 name: 2,2-dihydroxyindane-1,3-dione def: "2,2-dihydroxyindane-1,3-dione." [CAS:485-47-2, PubChem_Compound:10236, ChemSpiderID:9819, ChemicalBookNo:CB1337916] synonym: "Ninhydrin" EXACT [] is_a: XLMOD:06010 ! LCMS derivatization reagent relationship: is_reactive_with XLMOD:00028 ! primary amine reactive relationship: is_reactive_with XLMOD:06500 ! secondary amine reactive [Term] id: XLMOD:09316 name: 2,4,6-trinitrobenzenesulfonic acid def: "2,4,6-trinitrobenzenesulfonic acid." [CAS:2508-19-2, PubChem_Compound:11045, ChemSpiderID:10577, ChemicalBookNo:CB3737855] synonym: "TNBSA" EXACT [] synonym: "Picrylsulfonic acid" EXACT [] is_a: XLMOD:06010 ! LCMS derivatization reagent relationship: is_reactive_with XLMOD:00028 ! primary amine reactive