Dataset

Acetylsalicylic acid; LC-ESI-Q; MS; NEG; 45 V

This MassBank record with Accession MSBNK-Waters-WA000528 contains the MS mass spectrum of Acetylsalicylic acid with the InChIkey BSYNRYMUTXBXSQ-UHFFFAOYSA-N.

Chemical Information

molecular Image
InChI InChI=1S/C9H8O4/c1-6(10)13-8-5-3-2-4-7(8)9(11)12/h2-5H,1H3,(H,11,12)
SMILES CC(=O)Oc(c1)c(ccc1)C(O)=O
InChI Key BSYNRYMUTXBXSQ-UHFFFAOYSA-N
Molecular Formula C9H8O4
Exact Mass 180.042 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-Waters-WA000528
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MetadataPublished 2016-01-19
Related Molecule
  • 2-acetyloxybenzoic acid
    • Field Value
    Measurement Technique liquid chromatography-mass spectrometry
    Measurement Variables
    Data-Source Molecule ID Data-Source
    No additional information available for this Dataset.