Dataset

3-Hydroxymethylmefenamic acid; LC-ESI-QFT; MS2; CE: 120%; R=17500; [M-H]-

This MassBank record with Accession MSBNK-Eawag-EQ01153757 contains the MS2 mass spectrum of 3-Hydroxymethylmefenamic acid with the InChIkey QBONJEHEDCBRMZ-UHFFFAOYSA-N.

Chemical Information

molecular Image
InChI InChI=1S/C15H15NO3/c1-10-11(9-17)5-4-8-13(10)16-14-7-3-2-6-12(14)15(18)19/h2-8,16-17H,9H2,1H3,(H,18,19)
SMILES CC1=C(C=CC=C1NC2=CC=CC=C2C(=O)O)CO
InChI Key QBONJEHEDCBRMZ-UHFFFAOYSA-N
Molecular Formula C15H15NO3
Exact Mass 257.105 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-Eawag-EQ01153757
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MetadataPublished 2024-05-08
Related Molecule
  • 2-[3-(hydroxymethyl)-2-methylanilino]benzoic acid
    • Field Value
    Measurement Technique liquid chromatography-mass spectrometry
    Measurement Variables
    Data-Source Molecule ID Data-Source
    610738 PubChem
    10943657 eMolecules
    8L4T2779IX FDA SRS
    DTXSID30346261 EPA CompTox Dashboard
    ZINC000022060859 ZINC
    J570.562B Nikkaji
    The data in this table is sourced from UniChem at EBI.