Dataset

Phenyl glucuronide; LC-ESI-QFT; MS2; CE: 15%; R=17500; [M-H]-

This MassBank record with Accession MSBNK-Eawag-EQ01152851 contains the MS2 mass spectrum of Phenyl glucuronide with the InChIkey WVHAUDNUGBNUDZ-UHFFFAOYSA-N.

Chemical Information

molecular Image
InChI InChI=1S/C12H14O7/c13-7-8(14)10(11(16)17)19-12(9(7)15)18-6-4-2-1-3-5-6/h1-5,7-10,12-15H,(H,16,17)
SMILES C1=CC=C(C=C1)OC2C(C(C(C(O2)C(=O)O)O)O)O
InChI Key WVHAUDNUGBNUDZ-UHFFFAOYSA-N
Molecular Formula C12H14O7
Exact Mass 270.074 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-EQ01152851
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MetadataPublished 2024-05-08
Related Molecule
  • 3,4,5-trihydroxy-6-phenoxyoxane-2-carboxylic acid
    • Field Value
    Measurement Technique liquid chromatography-mass spectrometry
    Measurement Variables
    Data-Source Molecule ID Data-Source
    36754429 eMolecules
    3520575 PubChem
    PD045060 ProbesDrugs
    184171 ChEBI
    The data in this table is sourced from UniChem at EBI.