Dataset

Gentisyl alcohol; LC-ESI-ITFT; MS2; CE: 55; R=17500; [M+H]+

This MassBank record with Accession MSBNK-AAFC-AC000723 contains the MS2 mass spectrum of Gentisyl alcohol with the InChIkey PUZSUVGRVHEUQO-UHFFFAOYSA-N.

Chemical Information

molecular Image
InChI InChI=1S/C7H8O3/c8-4-5-3-6(9)1-2-7(5)10/h1-3,8-10H,4H2
SMILES C1=CC(=C(C=C1O)CO)O
InChI Key PUZSUVGRVHEUQO-UHFFFAOYSA-N
Molecular Formula C7H8O3
Exact Mass 140.047 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-AC000723
Version
Author
Maintainer
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MetadataPublished 2017-07-07
Related Molecule
  • 2-(hydroxymethyl)benzene-1,4-diol
    • Field Value
    Measurement Technique liquid chromatography-mass spectrometry
    Measurement Variables
    Data-Source Molecule ID Data-Source
    DTXSID60197804 EPA CompTox Dashboard
    5325 Rhea
    J11.774I Nikkaji
    5325 ChEBI
    CHEMBL448800 ChEMBL
    C10792 KEGG Ligand
    ZINC000000900388 ZINC
    20204151 NMRShiftDB
    188287 PubChem
    MTBLC5325 Metabolights
    15321484 PubChem: Thomson Pharma
    495-08-9 ACToR
    SCHEMBL829492 SureChEMBL
    T8T2WY38GH FDA SRS
    The data in this table is sourced from UniChem at EBI.