Dataset

2,5-Dihydroxybenzoic acid; LC-ESI-QTOF; MS2; CE:10 eV; [M-H]-

This MassBank record with Accession MSBNK-BS-BS003106 contains the MS2 mass spectrum of 2,5-Dihydroxybenzoic acid with the InChIkey WXTMDXOMEHJXQO-UHFFFAOYSA-N.

Chemical Information

molecular Image
InChI InChI=1S/C7H6O4/c8-4-1-2-6(9)5(3-4)7(10)11/h1-3,8-9H,(H,10,11)
SMILES C1(=C(C(=C(C(=C1O[H])[H])C(=O)O[H])O[H])[H])[H]
InChI Key WXTMDXOMEHJXQO-UHFFFAOYSA-N
Molecular Formula C7H6O4
Exact Mass 154.027 g/mol

Data and Resources

Metadata Information

Field Value
DOI
License URL https://creativecommons.org/licenses/by-nc-sa/4.0
Source https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-BS-BS003106
Version
Author
Maintainer
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MetadataPublished 2017-12-01
Related Molecule
  • 2,5-dihydroxybenzoic acid
    • Field Value
    Measurement Technique liquid chromatography-mass spectrometry
    Measurement Variables
    Data-Source Molecule ID Data-Source
    C00628 KEGG Ligand
    CHEMBL1461 ChEMBL
    17189 ChEBI
    GTQ PDBe
    50335808 BindingDB
    BESKAL CCDC
    J6.046A Nikkaji
    ZINC000000001507 ZINC
    3260 DrugCentral
    DTXSID4060078 EPA CompTox Dashboard
    GENTISIC ACID rxnorm
    HY-W001179 MedChemExpress
    482486 eMolecules
    PD002127 ProbesDrugs
    221726 Brenda
    VP36V95O3T FDA SRS
    LSM-19031 LINCS
    3469 PubChem
    SCHEMBL3690 SureChEMBL
    15265062 PubChem: Thomson Pharma
    490-79-9 ACToR
    21610 Brenda
    6417 Brenda
    2065 Brenda
    HMDB0000152 Human Metabolome Database
    CB5853669 ChemicalBook
    MTBLC17189 Metabolights
    MCULE-7171470745 Mcule
    10009263 NMRShiftDB
    The data in this table is sourced from UniChem at EBI.