Dataset

ISOPROPYL SALICYLATE; EI-B; MS

This MassBank record with Accession MSBNK-Fac_Eng_Univ_Tokyo-JP008986 contains the MS mass spectrum of ISOPROPYL SALICYLATE with the InChIkey YEULQIJMIOWCHB-UHFFFAOYSA-N.

Chemical Information

molecular Image
InChI InChI=1S/C10H12O3/c1-7(2)13-10(12)8-5-3-4-6-9(8)11/h3-7,11H,1-2H3
SMILES CC(C)OC(=O)c(c1)c(O)ccc1
InChI Key YEULQIJMIOWCHB-UHFFFAOYSA-N
Molecular Formula C10H12O3
Exact Mass 180.079 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-Fac_Eng_Univ_Tokyo-JP008986
Version
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Maintainer
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MetadataPublished 2016-01-19
Related Molecule
  • propan-2-yl 2-hydroxybenzoate
    • Field Value
    Measurement Technique liquid chromatography-mass spectrometry
    Measurement Variables
    Data-Source Molecule ID Data-Source
    J47.838E Nikkaji
    DTXSID1060556 EPA CompTox Dashboard
    CB7430756 ChemicalBook
    38703 ChEBI
    SCHEMBL39139 SureChEMBL
    ZINC000000406011 ZINC
    15219675 PubChem: Thomson Pharma
    11838 PubChem
    607-85-2 ACToR
    718240 eMolecules
    The data in this table is sourced from UniChem at EBI.