Dataset

L-Cysteic acid

This MassBank record with Accession MSBNK-Washington_State_Univ-BML01673 contains the MS2 mass spectrum of L-Cysteic acid with the InChIkey XVOYSCVBGLVSOL-UHFFFAOYSA-N.

Chemical Info

InChI	InChI=1S/C3H7NO5S/c4-2(3(5)6)1-10(7,8)9/h2H,1,4H2,(H,5,6)(H,7,8,9)
SMILES	C(C(C(=O)O)N)S(=O)(=O)O
InChI Key	XVOYSCVBGLVSOL-UHFFFAOYSA-N
Molecular Formula	C3H7NO5S
Exact Mass	169.004 g/mol

Data and Resources

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Metadata Information

Field	Value
DOI
License URL	https://creativecommons.org/licenses/by-sa/4.0
Source	https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-Washington_State_Univ-BML01673
Version
Author
Maintainer
Language
MetadataCreated	2024-01-11T22:25:23.580429
MetadataModified	2024-01-11T22:25:23.745077
MetadataPublished	2016-01-19

Field	Value
Measurement Technique	liquid chromatography-mass spectrometry
Measurement Variables

Data-Source Molecule ID	Data-Source
CHEMBL1171434	ChEMBL
J8.084E	Nikkaji
CB8723617	ChemicalBook
A3OGP4C37W	FDA SRS
241359	Brenda
85473	BindingDB
PD093736	ProbesDrugs
21260	ChEBI
14843148	PubChem: Thomson Pharma
3024-83-7	ACToR
13100-82-8	ACToR
25701	PubChem
SCHEMBL44030	SureChEMBL
20097217	NMRShiftDB
MCULE-3360025136	Mcule
969984	eMolecules
HMDB0002757	Human Metabolome Database
49998	Brenda
CB4960360	ChemicalBook
MTBLC21260	Metabolights
The data in this table is sourced from UniChem at EBI.