Dataset

4-METHYLBENZYL ALCOHOL; EI-B; MS

This MassBank record with Accession MSBNK-Fac_Eng_Univ_Tokyo-JP006254 contains the MS mass spectrum of 4-METHYLBENZYL ALCOHOL with the InChIkey KMTDMTZBNYGUNX-UHFFFAOYSA-N.

Chemical Information

molecular Image
InChI InChI=1S/C8H10O/c1-7-2-4-8(6-9)5-3-7/h2-5,9H,6H2,1H3
SMILES OCc(c1)ccc(C)c1
InChI Key KMTDMTZBNYGUNX-UHFFFAOYSA-N
Molecular Formula C8H10O
Exact Mass 122.073 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-JP006254
Version
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Maintainer
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MetadataPublished 2016-01-19
Related Molecule
  • (4-methylphenyl)methanol
    • Field Value
    Measurement Technique liquid chromatography-mass spectrometry
    Measurement Variables
    Data-Source Molecule ID Data-Source
    MTBLC1895 Metabolights
    ZINC000000896402 ZINC
    CB2694649 ChemicalBook
    218263 Brenda
    1895 Rhea
    9060 Brenda
    HMDB0041609 Human Metabolome Database
    106973 Brenda
    20035890 NMRShiftDB
    11505 PubChem
    15898191 PubChem: Thomson Pharma
    EXZ915A627 FDA SRS
    185532-77-8 ACToR
    31831-37-5 ACToR
    SCHEMBL3337 SureChEMBL
    589-18-4 ACToR
    480191 eMolecules
    VTG PDBe
    XABREY CCDC
    J28.550A Nikkaji
    DTXSID5025574 EPA CompTox Dashboard
    C06757 KEGG Ligand
    CHEMBL90100 ChEMBL
    1895 ChEBI
    The data in this table is sourced from UniChem at EBI.