Dataset

Pyroglutamic acid (not validated, isomer of 89); LC-ESI-QTOF; MS2

This MassBank record with Accession MSBNK-RIKEN-PR311147 contains the MS2 mass spectrum of Pyroglutamic acid (not validated, isomer of 89) with the InChIkey ODHCTXKNWHHXJC-UHFFFAOYSA-N.

Chemical Information

molecular Image
InChI InChI=1S/C5H7NO3/c7-4-2-1-3(6-4)5(8)9/h3H,1-2H2,(H,6,7)(H,8,9)
SMILES O=C(O)C1NC(=O)CC1
InChI Key ODHCTXKNWHHXJC-UHFFFAOYSA-N
Molecular Formula C5H7NO3
Exact Mass 129.115 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-PR311147
Version
Author
Maintainer
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MetadataPublished 2019-03-28
Related Molecule
  • 5-oxopyrrolidine-2-carboxylic acid
    • Field Value
    Measurement Technique liquid chromatography-mass spectrometry
    Measurement Variables
    Data-Source Molecule ID Data-Source
    MTBLC16010 Metabolights
    CB2709505 ChemicalBook
    MCULE-4175874303 Mcule
    20031175 NMRShiftDB
    SCHEMBL15791 SureChEMBL
    499 PubChem
    PD016123 ProbesDrugs
    14747636 PubChem: Thomson Pharma
    98-79-3 ACToR
    495412 eMolecules
    6VT1YZM21H FDA SRS
    J36.868G Nikkaji
    4703 Guide to Pharmacology
    220824 Brenda
    16010 ChEBI
    The data in this table is sourced from UniChem at EBI.