Dataset

L-Carbocisteine, (2R)-2-amino-3-(carboxymethylsulfanyl)propanoic acid, S-Carboxymethyl-L-cysteine, PSCMC, L-Carboxymethylcysteine, Mucodyne; LC-ESI-QTOF; MS2

This MassBank record with Accession MSBNK-RIKEN_ReSpect-PT103380 contains the MS2 mass spectrum of L-Carbocisteine, (2R)-2-amino-3-(carboxymethylsulfanyl)propanoic acid, S-Carboxymethyl-L-cysteine, PSCMC, L-Carboxymethylcysteine, Mucodyne 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 C(C(C(=O)O)N)SCC(=O)O
InChI Key GBFLZEXEOZUWRN-UHFFFAOYSA-N
Molecular Formula C5H9NO4S
Exact Mass 179.195 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-PT103380
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Author
Maintainer
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MetadataPublished 2008-07-25
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.