Dataset

Phenylphosphonic Acid; LC-ESI-QFT; MS2; CE: 15%; R=15000; [M-H]-

This MassBank record with Accession MSBNK-Eawag-EQ500451 contains the MS2 mass spectrum of Phenylphosphonic Acid with the InChIkey QLZHNIAADXEJJP-UHFFFAOYSA-N.

Chemical Information

molecular Image
InChI InChI=1S/C6H7O3P/c7-10(8,9)6-4-2-1-3-5-6/h1-5H,(H2,7,8,9)
SMILES C1=CC=C(C=C1)P(=O)(O)O
InChI Key QLZHNIAADXEJJP-UHFFFAOYSA-N
Molecular Formula C6H7O3P
Exact Mass 158.013 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-EQ500451
Version
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Maintainer
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MetadataPublished 2021-03-16
Related Molecule
  • phenylphosphonic acid
    • Field Value
    Measurement Technique liquid chromatography-mass spectrometry
    Measurement Variables
    Data-Source Molecule ID Data-Source
    CHEBI:191118 chebi
    SV7 rcsb_pdb
    CHEMBL179801 chembl
    34998 surechembl
    15295 pubchem
    BYD76T2868 fdasrs
    PD187917 probes_and_drugs
    BZPHOT CCDC
    47826 brenda
    48107 brenda
    HMDB0256444 hmdb
    80035634 nmrshiftdb2
    50162814 bindingdb
    The data in this table is sourced from UniChem at EBI.