Dataset

Dihydroxy-Valerate; LC-ESI-QTOF; MS2

This MassBank record with Accession MSBNK-RIKEN-PR309342 contains the MS2 mass spectrum of Dihydroxy-Valerate with the InChIkey JTEYKUFKXGDTEU-UHFFFAOYSA-N.

Chemical Information

molecular Image
InChI InChI=1S/C5H10O4/c1-5(2,9)3(6)4(7)8/h3,6,9H,1-2H3,(H,7,8)
SMILES O=C(O)C(O)C(O)(C)C
InChI Key JTEYKUFKXGDTEU-UHFFFAOYSA-N
Molecular Formula C5H10O4
Exact Mass 134.131 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-PR309342
Version
Author
Maintainer
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MetadataPublished 2019-03-28
Related Molecule
  • 2,3-dihydroxy-3-methylbutanoic acid
    • Field Value
    Measurement Technique liquid chromatography-mass spectrometry
    Measurement Variables
    Data-Source Molecule ID Data-Source
    214473 Brenda
    51261 Brenda
    113325 Brenda
    152776 Brenda
    41717 Brenda
    112299 Brenda
    114603 Brenda
    8998 Brenda
    SCHEMBL42068 SureChEMBL
    29550300 eMolecules
    677 PubChem
    92723434 PubChem: Thomson Pharma
    60028262 NMRShiftDB
    PD121157 ProbesDrugs
    15689 ChEBI
    C04039 KEGG Ligand
    J2.316.717D Nikkaji
    The data in this table is sourced from UniChem at EBI.