Dataset

Cysteine Sulfate Thioester, L-Cysteine-S-sulfate, cysteine-S-sulfonate, Cys(SO3H), S-Sulphocysteine, Cysteine-S-Sulfonic Acid, (R)-2-Amino-3-(sulfothio)propanoic Acid, S-Sulfo-L-cysteine, Cysteinyl-S-sulfonic acid, cysteinyl-S-sulfonate, S-Sulfocysteine

This MassBank record with Accession MSBNK-RIKEN_ReSpect-PS099101 contains the MS2 mass spectrum of Cysteine Sulfate Thioester, L-Cysteine-S-sulfate, cysteine-S-sulfonate, Cys(SO3H), S-Sulphocysteine, Cysteine-S-Sulfonic Acid, (R)-2-Amino-3-(sulfothio)propanoic Acid, S-Sulfo-L-cysteine, Cysteinyl-S-sulfonic acid, cysteinyl-S-sulfonate, S-Sulfocysteine with the InChIkey NOKPBJYHPHHWAN-UHFFFAOYSA-N.

Chemical Info

molecular Image
InChI InChI=1S/C3H7NO5S2/c4-2(3(5)6)1-10-11(7,8)9/h2H,1,4H2,(H,5,6)(H,7,8,9)
SMILES C(C(C(=O)O)N)SS(=O)(=O)O
InChI Key NOKPBJYHPHHWAN-UHFFFAOYSA-N
Molecular Formula C3H7NO5S2
Exact Mass 201.221 g/mol

Data and Resources

Metadata Information

Field Value
DOI
License URL https://creativecommons.org/licenses/by-nc/4.0
Source https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-RIKEN_ReSpect-PS099101
Version
Author
Maintainer
Language
MetadataCreated 2024-01-11T21:29:00.338594
MetadataModified 2025-02-09T19:06:05.437093
MetadataPublished 2009-02-09
Field Value
Measurement Technique liquid chromatography-mass spectrometry
Measurement Variables
Data-Source Molecule ID Data-Source
4286512 PubChem
23850 PubChem
SCHEMBL1660797 SureChEMBL
PD073149 ProbesDrugs
181721 ChEBI
114820 Brenda
J65.440J Nikkaji
The data in this table is sourced from UniChem at EBI.