Dataset

S-CARBOXYMETHYLCYSTEINE

This MassBank record with Accession MSBNK-Antwerp_Univ-METOX_P101403_FB57 contains the MS2 mass spectrum of S-CARBOXYMETHYLCYSTEINE with the InChIkey GBFLZEXEOZUWRN-UHFFFAOYSA-N.

Chemical Info

molecular Image
InChI InChI=1S/C5H9NO4S/c6-3(5(9)10)1-11-2-4(7)8/h3H,1-2,6H2,(H,7,8)(H,9,10)
SMILES NC(CSCC(O)=O)C(O)=O
InChI Key GBFLZEXEOZUWRN-UHFFFAOYSA-N
Molecular Formula C5H9NO4S
Exact Mass 179.025 g/mol

Data and Resources

Metadata Information

Field Value
DOI
License URL https://creativecommons.org/licenses/by/4.0
Source https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-Antwerp_Univ-METOX_P101403_FB57
Version
Author
Maintainer
Language
MetadataCreated 2024-01-11T09:36:56.964063
MetadataModified 2025-02-08T18:47:13.897207
MetadataPublished 2021-12-14
Field Value
Measurement Technique liquid chromatography-mass spectrometry
Measurement Variables
Data-Source Molecule ID Data-Source
CHEMBL1447969 ChEMBL
J1.028.091E Nikkaji
15794764 PubChem
DTXSID9022738 EPA CompTox Dashboard
4252LRM78Q FDA SRS
MCULE-1997609241 Mcule
HY-D0205 MedChemExpress
1987394 eMolecules
11139-64-3 ACToR
15195145 PubChem: Thomson Pharma
2387-59-9 ACToR
1080 PubChem
PD056661 ProbesDrugs
638-23-3 ACToR
HMDB0029415 Human Metabolome Database
SCHEMBL69149 SureChEMBL
The data in this table is sourced from UniChem at EBI.