Dataset

3-Hydroxyphenylacetic acid; LC-ESI-QTOF; MS2; CE: 20; R=; [M-H]-

This MassBank record with Accession MSBNK-BGC_Munich-RP015612 contains the MS2 mass spectrum of 3-Hydroxyphenylacetic acid with the InChIkey FVMDYYGIDFPZAX-UHFFFAOYSA-N.

Chemical Information

molecular Image
InChI InChI=1S/C8H8O3/c9-7-3-1-2-6(4-7)5-8(10)11/h1-4,9H,5H2,(H,10,11)
SMILES OC(=O)Cc1cccc(O)c1
InChI Key FVMDYYGIDFPZAX-UHFFFAOYSA-N
Molecular Formula C8H8O3
Exact Mass 152.047 g/mol

Data and Resources

Metadata Information

Field Value
DOI
License URL https://creativecommons.org/licenses/by/4.0
Source https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-BGC_Munich-RP015612
Version
Author
Maintainer
Language
MetadataPublished 2017-11-29
Related Molecule
  • 2-(3-hydroxyphenyl)acetic acid
    • Field Value
    Measurement Technique liquid chromatography-mass spectrometry
    Measurement Variables
    Data-Source Molecule ID Data-Source
    CHEMBL190035 ChEMBL
    17445 ChEBI
    3HP PDBe
    C05593 KEGG Ligand
    50168283 BindingDB
    HY-W001083 MedChemExpress
    J3.004J Nikkaji
    DTXSID90211148 EPA CompTox Dashboard
    104831 Brenda
    12122 PubChem
    PD098600 ProbesDrugs
    15995387 PubChem: Thomson Pharma
    621-37-4 ACToR
    K59Z6Z8REF FDA SRS
    521519 eMolecules
    MTBLC17445 Metabolights
    30165 Brenda
    111922 Brenda
    5910 Brenda
    29490 Brenda
    ZINC000000395673 ZINC
    HMDB0000440 Human Metabolome Database
    CB4337694 ChemicalBook
    MCULE-7425540066 Mcule
    20096862 NMRShiftDB
    SCHEMBL337470 SureChEMBL
    The data in this table is sourced from UniChem at EBI.