Dataset

Thymol; LC-ESI-QFT; MS2; CE: 30%; R=17500; [M+H]+

This MassBank record with Accession MSBNK-Eawag-EQ01140802 contains the MS2 mass spectrum of Thymol 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 150.105 g/mol

Data and Resources

Metadata Information

Field Value
DOI
License URL https://creativecommons.org/licenses/by-sa/4.0
Source https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-Eawag-EQ01140802
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Maintainer
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MetadataPublished 2023-04-27
Related Molecule
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    • Field Value
    Measurement Technique liquid chromatography-mass spectrometry
    Measurement Variables
    Data-Source Molecule ID Data-Source
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    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.