Dataset

mass spectrometry (MS)

dataset for mass spectrometry (MS)

Chemical Information

molecular Image
InChI InChI=1S/C16H20O3/c1-5-6-7-12-8-13-11(4)14(17)9(2)10(3)15(13)19-16(12)18/h8,17H,5-7H2,1-4H3
SMILES CCCCc1cc2c(C)c(O)c(c(c2oc1=O)C)C
InChI Key LQTFPYMIMKMUQX-UHFFFAOYSA-N
Molecular Formula C16H20O3
Exact Mass 260.328 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/LQTFPYMIMKMUQX-UHFFFAOYSA-N/CHMO0000470
License URL
Source https://www.chemotion-repository.net/inchikey/LQTFPYMIMKMUQX-UHFFFAOYSA-N/CHMO0000470
Version
Author Florian Mohr
Maintainer Chemotion Repository
Language english
MetadataPublished 2021-03-01
Related Molecule
  • 3-butyl-6-hydroxy-5,7,8-trimethylchromen-2-one
    • Field Value
    Measurement Technique mass spectrometry
    Measurement Variables
    Data-Source Molecule ID Data-Source
    155804312 pubchem
    The data in this table is sourced from UniChem at EBI.