Dataset

Glutamyl-S-(C4H7O2)-cysteinylglycine; LC-ESI-QTOF; MS2

This MassBank record with Accession MSBNK-RIKEN-PR310786 contains the MS2 mass spectrum of Glutamyl-S-(C4H7O2)-cysteinylglycine with the InChIkey JQWABENXVMJJMW-UHFFFAOYSA-N.

Chemical Information

molecular Image
InChI InChI=1S/C14H23N3O8S/c1-7(13(22)23)5-26-6-9(12(21)16-4-11(19)20)17-10(18)3-2-8(15)14(24)25/h7-9H,2-6,15H2,1H3,(H,16,21)(H,17,18)(H,19,20)(H,22,23)(H,24,25)
SMILES O=C(O)CNC(=O)C(NC(=O)CCC(N)C(=O)O)CSCC(C(=O)O)C
InChI Key JQWABENXVMJJMW-UHFFFAOYSA-N
Molecular Formula C14H23N3O8S
Exact Mass 393.416 g/mol

Data and Resources

Metadata Information

Field Value
DOI
License URL https://creativecommons.org/licenses/by-nc-sa/4.0
Source https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-RIKEN-PR310786
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MetadataPublished 2019-03-28
Related Molecule
  • 2-amino-5-[[1-(carboxymethylamino)-3-(2-carboxypropylsulfanyl)-1-oxopropan-2-yl]amino]-5-oxopentanoic acid
    • Field Value
    Measurement Technique liquid chromatography-mass spectrometry
    Measurement Variables
    Data-Source Molecule ID Data-Source
    SCHEMBL8185421 SureChEMBL
    20140672 PubChem
    168988 ChEBI
    HMDB0029394 Human Metabolome Database
    The data in this table is sourced from UniChem at EBI.