Dataset

3-Hydroxy-p-cymene, 5-Methyl-2-(1-methylethyl)phenol, 2-Isopropyl-5-methylphenol, m-Thymol, 2-Hydroxy-4-methylcumene, 4-Isopropyl-m-cresol, Thymic acid, Thymol, 1-Hydroxy-5-methyl-2-isopropylbenzene, 6-Isopropyl-m-cresol, 3-Hydroxy-4-isopropyltoluene, 1-Methylethyl-4-methylphenol, Thyme camphor, 5-Methyl-2-isopropylphenol; LC-ESI-QQ; MS2

This MassBank record with Accession MSBNK-RIKEN_ReSpect-PS105302 contains the MS2 mass spectrum of 3-Hydroxy-p-cymene, 5-Methyl-2-(1-methylethyl)phenol, 2-Isopropyl-5-methylphenol, m-Thymol, 2-Hydroxy-4-methylcumene, 4-Isopropyl-m-cresol, Thymic acid, Thymol, 1-Hydroxy-5-methyl-2-isopropylbenzene, 6-Isopropyl-m-cresol, 3-Hydroxy-4-isopropyltoluene, 1-Methylethyl-4-methylphenol, Thyme camphor, 5-Methyl-2-isopropylphenol with the InChIkey MGSRCZKZVOBKFT-UHFFFAOYSA-N.

Chemical Information

molecular Image
InChI InChI=1S/C10H14O/c1-7(2)9-5-4-8(3)6-10(9)11/h4-7,11H,1-3H3
SMILES CC1=CC(=C(C=C1)C(C)C)O
InChI Key MGSRCZKZVOBKFT-UHFFFAOYSA-N
Molecular Formula C10H14O
Exact Mass 150.221 g/mol

Data and Resources

Metadata Information

Field Value
DOI
License URL https://creativecommons.org/licenses/by-nc/4.0
Source https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-RIKEN_ReSpect-PS105302
Version
Author
Maintainer
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MetadataPublished 2009-02-09
Related Molecule
  • 5-methyl-2-propan-2-ylphenol
    • Field Value
    Measurement Technique liquid chromatography-mass spectrometry
    Measurement Variables
    Data-Source Molecule ID Data-Source
    DB02513 drugbank
    CHEBI:27607 chebi
    LMPR0102090029 lipidmaps
    IPB rcsb_pdb
    CHEMBL29411 chembl
    22165 surechembl
    29579824 surechembl
    6989 pubchem
    3J50XA376E fdasrs
    IPB pdbe
    2499 gtopdb
    PD009428 probes_and_drugs
    IPMEPL CCDC
    227513 brenda
    8200 brenda
    HMDB0001878 hmdb
    Molport-001-791-636 molport
    4258 drugcentral
    50240432 bindingdb
    The data in this table is sourced from UniChem at EBI.