Dataset

mass spectrometry (MS)

dataset for mass spectrometry (MS)

Chemical Information

molecular Image
InChI InChI=1S/C10H14O2/c1-7(11)9-3-5-10(6-4-9)8(2)12/h3-8,11-12H,1-2H3
SMILES CC(c1ccc(cc1)C(O)C)O
InChI Key BHCGGVIVFXWATI-UHFFFAOYSA-N
Molecular Formula C10H14O2
Exact Mass 166.217 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/BHCGGVIVFXWATI-UHFFFAOYSA-N/CHMO0000470
License URL
Source https://www.chemotion-repository.net/inchikey/BHCGGVIVFXWATI-UHFFFAOYSA-N/CHMO0000470
Version
Author Isabelle Wessely
Maintainer Chemotion Repository
Language english
MetadataPublished 2020-03-17
Related Molecule
  • 1-[4-(1-hydroxyethyl)phenyl]ethanol
    • Field Value
    Measurement Technique mass spectrometry
    Measurement Variables
    Data-Source Molecule ID Data-Source
    325945 PubChem
    SCHEMBL40655 SureChEMBL
    651897 eMolecules
    16472209 PubChem: Thomson Pharma
    6781-43-7 ACToR
    69693 Brenda
    J777.029D Nikkaji
    MCULE-2829210441 Mcule
    DTXSID40315605 EPA CompTox Dashboard
    The data in this table is sourced from UniChem at EBI.