Dataset

mass spectrometry (MS)

dataset for mass spectrometry (MS)

Chemical Information

molecular Image
InChI InChI=1S/C16H13NO/c18-16(10-12-6-2-1-3-7-12)14-11-17-15-9-5-4-8-13(14)15/h1-9,11,17H,10H2
SMILES O=C(c1c[nH]c2c1cccc2)Cc1ccccc1
InChI Key MVJGJYRFWKGPTI-UHFFFAOYSA-N
Molecular Formula C16H13NO
Exact Mass 235.281 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/MVJGJYRFWKGPTI-UHFFFAOYSA-N/Mass
License URL
Source https://www.chemotion-repository.net/inchikey/MVJGJYRFWKGPTI-UHFFFAOYSA-N/Mass
Version
Author Simone Gräßle
Maintainer Chemotion Repository
Language english
MetadataPublished 2019-01-30
Related Molecule
  • 1-(1~{H}-indol-3-yl)-2-phenylethanone
    • Field Value
    Measurement Technique mass spectrometry
    Measurement Variables
    Data-Source Molecule ID Data-Source
    CB62733111 ChemicalBook
    DTXSID20295754 EPA CompTox Dashboard
    ZINC000001686261 ZINC
    J2.432.476A Nikkaji
    40281-54-7 ACToR
    266609 PubChem
    24755253 PubChem: Thomson Pharma
    SCHEMBL15902100 SureChEMBL
    The data in this table is sourced from UniChem at EBI.