Dataset

electrospray ionisation tandem mass spectrometry (ESI-MS2)

dataset for electrospray ionisation tandem mass spectrometry (ESI-MS2)

Chemical Information

molecular Image
InChI InChI=1S/C15H14O/c1-9-4-5-12-10(2)6-15-14(7-13(9)12)11(3)8-16-15/h4-8H,1-3H3
SMILES Cc1cc2occ(c2cc2-c1ccc2C)C
InChI Key LMVGRKPOXLBIFQ-UHFFFAOYSA-N
Molecular Formula C15H14O
Exact Mass 210.271 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/LMVGRKPOXLBIFQ-UHFFFAOYSA-N/CHMO0000577
License URL
Source https://www.chemotion-repository.net/inchikey/LMVGRKPOXLBIFQ-UHFFFAOYSA-N/CHMO0000577
Version
Author Dieter Sicker
Maintainer Chemotion Repository
Language english
MetadataPublished 2023-05-11
Related Molecule
  • 1,5,8-trimethylazuleno[6,5-b]furan
    • Field Value
    Measurement Technique electrospray ionisation tandem mass spectrometry
    Measurement Variables
    Data-Source Molecule ID Data-Source
    CHEMBL503851 chembl
    29600930 surechembl
    656393 pubchem
    The data in this table is sourced from UniChem at EBI.