Dataset

N-Fructosyl gamma-glutamyl-S-(1-propenyl)cysteine sulfoxide; LC-ESI-QTOF; MS2

This MassBank record with Accession MSBNK-RIKEN-PR310821 contains the MS2 mass spectrum of N-Fructosyl gamma-glutamyl-S-(1-propenyl)cysteine sulfoxide with the InChIkey WROKSUMDFCBDIW-GORDUTHDSA-N.

Chemical Information

molecular Image
InChI InChI=1S/C17H28N2O11S/c1-2-5-31(29)7-10(16(26)27)19-12(21)4-3-9(15(24)25)18-8-17(28)14(23)13(22)11(20)6-30-17/h2,5,9-11,13-14,18,20,22-23,28H,3-4,6-8H2,1H3,(H,19,21)(H,24,25)(H,26,27)/b5-2+
SMILES C\C=C\S(=O)CC(NC(=O)CCC(NCC1(O)OCC(O)C(O)C1O)C(O)=O)C(O)=O
InChI Key WROKSUMDFCBDIW-GORDUTHDSA-N
Molecular Formula C17H28N2O11S
Exact Mass 468.479 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-PR310821
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MetadataPublished 2019-03-28
Related Molecule
  • 5-[[1-carboxy-2-[(E)-prop-1-enyl]sulfinylethyl]amino]-5-oxo-2-[(2,3,4,5-tetrahydroxyoxan-2-yl)methylamino]pentanoic acid
    • Field Value
    Measurement Technique liquid chromatography-mass spectrometry
    Measurement Variables
    Data-Source Molecule ID Data-Source
    181577 ChEBI
    139292128 PubChem
    The data in this table is sourced from UniChem at EBI.