Dataset

Fusaric acid; LC-ESI-ITFT; MS2; CE: 30; R=17500; [M+H]+

This MassBank record with Accession MSBNK-AAFC-AC000890 contains the MS2 mass spectrum of Fusaric acid with the InChIkey DGMPVYSXXIOGJY-UHFFFAOYSA-N.

Chemical Information

molecular Image
InChI InChI=1S/C10H13NO2/c1-2-3-4-8-5-6-9(10(12)13)11-7-8/h5-7H,2-4H2,1H3,(H,12,13)
SMILES CCCCC1=CN=C(C=C1)C(=O)O
InChI Key DGMPVYSXXIOGJY-UHFFFAOYSA-N
Molecular Formula C10H13NO2
Exact Mass 179.095 g/mol

Data and Resources

Metadata Information

Field Value
DOI
License URL https://creativecommons.org/licenses/by-sa/4.0
Source https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-AAFC-AC000890
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MetadataPublished 2017-07-07
Related Molecule
  • 5-butylpyridine-2-carboxylic acid
    • Field Value
    Measurement Technique liquid chromatography-mass spectrometry
    Measurement Variables
    Data-Source Molecule ID Data-Source
    CHEBI:5199 chebi
    CQV rcsb_pdb
    CHEMBL24510 chembl
    178006 surechembl
    29406685 surechembl
    3442 pubchem
    JWJ963070N fdasrs
    PD002714 probes_and_drugs
    WIPXAY CCDC
    224590 brenda
    CQV - Ideal conformer pdbe
    HMDB0252556 hmdb
    Molport-001-787-743 molport
    50000439 bindingdb
    The data in this table is sourced from UniChem at EBI.