Dataset

THYMOL; EI-B; MS

This MassBank record with Accession MSBNK-Fac_Eng_Univ_Tokyo-JP000908 contains the MS 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 CC(C)c(c1)c(O)cc(C)c1
InChI Key MGSRCZKZVOBKFT-UHFFFAOYSA-N
Molecular Formula C10H14O
Exact Mass 150.104 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-JP000908
Version
Author
Maintainer
Language
MetadataPublished 2016-01-19
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    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
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    22165 surechembl
    29579824 surechembl
    6989 pubchem
    3J50XA376E fdasrs
    IPB pdbe
    2499 gtopdb
    PD009428 probes_and_drugs
    IPMEPL CCDC
    227513 brenda
    8200 brenda
    HMDB0001878 hmdb
    DTXSID6034972 comptox
    NCT00885599 clinicaltrials
    NCT01637948 clinicaltrials
    NCT02202304 clinicaltrials
    NCT03384537 clinicaltrials
    NCT04409873 clinicaltrials
    NCT04449952 clinicaltrials
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    NCT04802408 clinicaltrials
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    NCT04921371 clinicaltrials
    NCT04966507 clinicaltrials
    NCT05120141 clinicaltrials
    NCT05121909 clinicaltrials
    NCT05427721 clinicaltrials
    NCT05526586 clinicaltrials
    NCT05645705 clinicaltrials
    NCT05756673 clinicaltrials
    NCT06010758 clinicaltrials
    NCT06136455 clinicaltrials
    Molport-001-791-636 molport
    4258 drugcentral
    50240432 bindingdb
    The data in this table is sourced from UniChem at EBI.