Dataset

5-Methoxysalicylic acid; LC-ESI-QTOF; MS

This MassBank record with Accession MSBNK-BS-BS003116 contains the MS mass spectrum of 5-Methoxysalicylic acid with the InChIkey IZZIWIAOVZOBLF-UHFFFAOYSA-N.

Chemical Information

molecular Image
InChI InChI=1S/C8H8O4/c1-12-5-2-3-7(9)6(4-5)8(10)11/h2-4,9H,1H3,(H,10,11)
SMILES C(OC1=C(C(=C(C(=C1[H])[H])O[H])C(=O)O[H])[H])([H])([H])[H]
InChI Key IZZIWIAOVZOBLF-UHFFFAOYSA-N
Molecular Formula C8H8O4
Exact Mass 168.042 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-BS003116
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Maintainer
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MetadataPublished 2017-12-01
Related Molecule
  • 2-hydroxy-5-methoxybenzoic acid
    • Field Value
    Measurement Technique liquid chromatography-mass spectrometry
    Measurement Variables
    Data-Source Molecule ID Data-Source
    89830 ChEBI
    MTBLC89830 Metabolights
    228970 Brenda
    VAXZUR CCDC
    J26.970K Nikkaji
    ZINC000000157039 ZINC
    DTXSID0062551 EPA CompTox Dashboard
    HY-W007856 MedChemExpress
    CHEMBL452949 ChEMBL
    482159 eMolecules
    75787 PubChem
    PD123981 ProbesDrugs
    14748135 PubChem: Thomson Pharma
    SCHEMBL128781 SureChEMBL
    2612-02-4 ACToR
    20039582 NMRShiftDB
    MCULE-9834304679 Mcule
    74501 Brenda
    91934 Brenda
    HMDB0001868 Human Metabolome Database
    CB1466366 ChemicalBook
    The data in this table is sourced from UniChem at EBI.