Dataset

Salicylic acid; LC-ESI-QTOF; MS2; CE: Ramp 17.5-26.2 eV; R=35000; [M-H]-

This MassBank record with Accession MSBNK-Athens_Univ-AU238262 contains the MS2 mass spectrum of Salicylic acid with the InChIkey YGSDEFSMJLZEOE-UHFFFAOYSA-N.

Chemical Information

molecular Image
InChI InChI=1S/C7H6O3/c8-6-4-2-1-3-5(6)7(9)10/h1-4,8H,(H,9,10)
SMILES OC(=O)C1=C(O)C=CC=C1
InChI Key YGSDEFSMJLZEOE-UHFFFAOYSA-N
Molecular Formula C7H6O3
Exact Mass 138.032 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-Athens_Univ-AU238262
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MetadataPublished 2019-03-29
Related Molecule
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    Measurement Technique liquid chromatography-mass spectrometry
    Measurement Variables
    Data-Source Molecule ID Data-Source
    DB00936 drugbank
    CHEBI:16914 chebi
    SAL rcsb_pdb
    CHEMBL424 chembl
    16880297 surechembl
    1967 surechembl
    29362663 surechembl
    118212070 pubchem
    338 pubchem
    O414PZ4LPZ fdasrs
    4306 gtopdb
    PD001758 probes_and_drugs
    SALIAC CCDC
    145569 brenda
    21658 brenda
    24601 brenda
    47420 brenda
    5097 brenda
    617 brenda
    765 brenda
    90999 brenda
    HMDB0001895 hmdb
    Molport-001-769-476 molport
    2416 drugcentral
    26193 bindingdb
    The data in this table is sourced from UniChem at EBI.