Dataset

S-CARBOXYMETHYLCYSTEINE; LC-ESI-QTOF; MS2; CE: 10eV; R=5000; [M+H]+

This MassBank record with Accession MSBNK-Antwerp_Univ-METOX_P101402_F638 contains the MS2 mass spectrum of S-CARBOXYMETHYLCYSTEINE with the InChIkey GBFLZEXEOZUWRN-UHFFFAOYSA-N.

Chemical Information

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_P101402_F638
Version
Author
Maintainer
Language
MetadataPublished 2021-12-13
Related Molecule
  • 2-amino-3-(carboxymethylsulfanyl)propanoic acid
    • Field Value
    Measurement Technique liquid chromatography-mass spectrometry
    Measurement Variables
    Data-Source Molecule ID Data-Source
    CHEMBL1447969 chembl
    69149 surechembl
    1080 pubchem
    15794764 pubchem
    4252LRM78Q fdasrs
    PD056661 probes_and_drugs
    HMDB0029415 hmdb
    Molport-006-013-457 molport
    The data in this table is sourced from UniChem at EBI.