Dataset

3-PHENYL-1-PROPANOL; CI-B; MS

This MassBank record with Accession MSBNK-Fac_Eng_Univ_Tokyo-JP005937 contains the MS mass spectrum of 3-PHENYL-1-PROPANOL with the InChIkey VAJVDSVGBWFCLW-UHFFFAOYSA-N.

Chemical Info

molecular Image
InChI InChI=1S/C9H12O/c10-8-4-7-9-5-2-1-3-6-9/h1-3,5-6,10H,4,7-8H2
SMILES OCCCc(c1)cccc1
InChI Key VAJVDSVGBWFCLW-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-JP005937
Version
Author
Maintainer
Language
MetadataPublished 2016-01-19
Related Molecule
  • 3-phenylpropan-1-ol
    • Field Value
    Measurement Technique liquid chromatography-mass spectrometry
    Measurement Variables
    Data-Source Molecule ID Data-Source
    CHEMBL1606391 ChEMBL
    DTXSID6041638 EPA CompTox Dashboard
    ZINC000001747839 ZINC
    88817 ChEBI
    J44.158I Nikkaji
    PD065272 ProbesDrugs
    244256 Brenda
    15461952 PubChem: Thomson Pharma
    1335-12-2 ACToR
    93842-54-7 ACToR
    122-97-4 ACToR
    SCHEMBL1922 SureChEMBL
    U04IC2765C FDA SRS
    481576 eMolecules
    CB9690882 ChemicalBook
    133694 Brenda
    35863 Brenda
    5108 Brenda
    69359 Brenda
    61245 Brenda
    34822 Brenda
    HMDB0033962 Human Metabolome Database
    10005752 NMRShiftDB
    MCULE-7537660546 Mcule
    31234 PubChem
    The data in this table is sourced from UniChem at EBI.