Dataset

2-PHENYL-1-PROPANOL; EI-B; MS

This MassBank record with Accession MSBNK-Fac_Eng_Univ_Tokyo-JP008187 contains the MS mass spectrum of 2-PHENYL-1-PROPANOL with the InChIkey RNDNSYIPLPAXAZ-UHFFFAOYSA-N.

Chemical Information

molecular Image
InChI InChI=1S/C9H12O/c1-8(7-10)9-5-3-2-4-6-9/h2-6,8,10H,7H2,1H3
SMILES OCC(C)c(c1)cccc1
InChI Key RNDNSYIPLPAXAZ-UHFFFAOYSA-N
Molecular Formula C9H12O
Exact Mass 136.089 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-JP008187
Version
Author
Maintainer
Language
MetadataPublished 2016-01-19
Related Molecule
  • 2-phenylpropan-1-ol
    • Field Value
    Measurement Technique liquid chromatography-mass spectrometry
    Measurement Variables
    Data-Source Molecule ID Data-Source
    10009213 NMRShiftDB
    193640 ChEBI
    CB5677296 ChemicalBook
    244233 Brenda
    1123-85-9 ACToR
    485956 eMolecules
    SCHEMBL1260 SureChEMBL
    15315402 PubChem: Thomson Pharma
    CHEMBL2323841 ChEMBL
    DTXSID8037756 EPA CompTox Dashboard
    39160 Brenda
    27ZYZ88DWU FDA SRS
    J69.580G Nikkaji
    J76.750F Nikkaji
    CB2677295 ChemicalBook
    HMDB0031628 Human Metabolome Database
    14295 PubChem
    MCULE-5104210695 Mcule
    The data in this table is sourced from UniChem at EBI.