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