Dataset

3-Hydroxyanthranilic acid; LC-ESI-QTOF; MS2; [M+H]+; CE: 40eV

This MassBank record with Accession MSBNK-Fiocruz-FIO00671 contains the MS2 mass spectrum of 3-Hydroxyanthranilic acid with the InChIkey WJXSWCUQABXPFS-UHFFFAOYSA-N.

Chemical Information

molecular Image
InChI InChI=1S/C7H7NO3/c8-6-4(7(10)11)2-1-3-5(6)9/h1-3,9H,8H2,(H,10,11)
SMILES OC(=O)c(c1)c(N)c(O)cc1
InChI Key WJXSWCUQABXPFS-UHFFFAOYSA-N
Molecular Formula C7H7NO3
Exact Mass 153.043 g/mol

Data and Resources

Metadata Information

Field Value
DOI
License URL https://creativecommons.org/licenses/by-nc/4.0
Source https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-Fiocruz-FIO00671
Version
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Maintainer
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MetadataPublished 2016-01-19
Related Molecule
  • 2-amino-3-hydroxybenzoic acid
    • Field Value
    Measurement Technique liquid chromatography-mass spectrometry
    Measurement Variables
    Data-Source Molecule ID Data-Source
    DB03644 DrugBank
    C00632 KEGG Ligand
    CHEMBL445304 ChEMBL
    15793 ChEBI
    3HA PDBe
    DTXSID40203290 EPA CompTox Dashboard
    HY-W001171 MedChemExpress
    J1.608J Nikkaji
    ZINC000000388292 ZINC
    2709 Brenda
    86 PubChem
    PD006740 ProbesDrugs
    1UQB1BT4OT FDA SRS
    15170924 PubChem: Thomson Pharma
    3hanthrn Recon
    548-93-6 ACToR
    SCHEMBL88229 SureChEMBL
    LSM-20979 LINCS
    482417 eMolecules
    CB8291725 ChemicalBook
    MTBLC15793 Metabolights
    1369 Brenda
    152196 Brenda
    HMDB0001476 Human Metabolome Database
    20037773 NMRShiftDB
    MCULE-1178445402 Mcule
    The data in this table is sourced from UniChem at EBI.