Dataset

Propylacetic acid, 1-Butanecarboxylic acid, Valerate, Valerianic acid, Carboxylic Acid C5, n-Valeric acid, Pentanoic acid, Pentanoate, Pentane Acid; LC-ESI-QQ; MS2

This MassBank record with Accession MSBNK-RIKEN_ReSpect-PS031302 contains the MS2 mass spectrum of Propylacetic acid, 1-Butanecarboxylic acid, Valerate, Valerianic acid, Carboxylic Acid C5, n-Valeric acid, Pentanoic acid, Pentanoate, Pentane Acid with the InChIkey NQPDZGIKBAWPEJ-UHFFFAOYSA-N.

Chemical Information

molecular Image
InChI InChI=1S/C5H10O2/c1-2-3-4-5(6)7/h2-4H2,1H3,(H,6,7)
SMILES CCCCC(=O)O
InChI Key NQPDZGIKBAWPEJ-UHFFFAOYSA-N
Molecular Formula C5H10O2
Exact Mass 102.133 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-PS031302
Version
Author
Maintainer
Language
MetadataPublished 2009-02-09
Related Molecule
  • pentanoic acid
    • Field Value
    Measurement Technique liquid chromatography-mass spectrometry
    Measurement Variables
    Data-Source Molecule ID Data-Source
    DB02406 drugbank
    CHEBI:17418 chebi
    LMFA01010005 lipidmaps
    LEA rcsb_pdb
    PEI rcsb_pdb
    CHEMBL268736 chembl
    5886 surechembl
    7991 pubchem
    GZK92PJM7B fdasrs
    1061 gtopdb
    PD008360 probes_and_drugs
    VALRAC CCDC
    101794 brenda
    101795 brenda
    12618 brenda
    12653 brenda
    1541 brenda
    2040 brenda
    31679 brenda
    4577 brenda
    HMDB0000892 hmdb
    Molport-001-780-113 molport
    The data in this table is sourced from UniChem at EBI.