Dataset

Phenylphosphonic Acid; LC-ESI-QFT; MS2; CE: 180%; R=15000; [M+H]+

This MassBank record with Accession MSBNK-Eawag-EQ500409 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-EQ500409
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
    15295 PubChem
    191118 ChEBI
    15120257 PubChem: Thomson Pharma
    1571-33-1 ACToR
    BYD76T2868 FDA SRS
    530776 eMolecules
    CB8669061 ChemicalBook
    47826 Brenda
    48107 Brenda
    SCHEMBL34998 SureChEMBL
    CHEMBL179801 ChEMBL
    SV7 PDBe
    J40.748H Nikkaji
    HMDB0256444 Human Metabolome Database
    BZPHOT CCDC
    50162814 BindingDB
    MCULE-5326389388 Mcule
    DTXSID2044399 EPA CompTox Dashboard
    ZINC000001555311 ZINC
    The data in this table is sourced from UniChem at EBI.