Dataset

HOMOCYSTEINE

This MassBank record with Accession MSBNK-Antwerp_Univ-METOX_P100802_EF88 contains the MS2 mass spectrum of HOMOCYSTEINE with the InChIkey FFFHZYDWPBMWHY-UHFFFAOYSA-N.

Chemical Info

InChI	InChI=1S/C4H9NO2S/c5-3(1-2-8)4(6)7/h3,8H,1-2,5H2,(H,6,7)
SMILES	C(CS)C(C(=O)O)N
InChI Key	FFFHZYDWPBMWHY-UHFFFAOYSA-N
Molecular Formula	C4H9NO2S
Exact Mass	135.035 g/mol

Data and Resources

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Metadata Information

Field	Value
DOI
License URL
Source	https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-Antwerp_Univ-METOX_P100802_EF88
Version
Author
Maintainer
Language
MetadataCreated	2024-01-11T09:32:13.409062
MetadataModified	2024-01-11T09:32:13.580334
MetadataPublished	2021-12-13

Field	Value
Measurement Technique	liquid chromatography-mass spectrometry
Measurement Variables

Data-Source Molecule ID	Data-Source
58065	ChEBI
C05330	KEGG Ligand
CHEMBL310604	ChEMBL
518373	eMolecules
S7IJP4A89K	FDA SRS
HY-W040821	MedChemExpress
86202	BindingDB
15688	Brenda
MTBLC58065	Metabolights
859	Brenda
41725	Brenda
MTBLC17230	Metabolights
17230	ChEBI
CB2149336	ChemicalBook
J1.203C	Nikkaji
MCULE-8057550187	Mcule
SCHEMBL35836	SureChEMBL
60018783	NMRShiftDB
PD093740	ProbesDrugs
49791978	PubChem
778	PubChem
15339197	PubChem: Thomson Pharma
6681-97-6	ACToR
The data in this table is sourced from UniChem at EBI.