Dataset

Carvacrol; LC-ESI-QTOF; MS2; CE: 15.00; [M-C3H6+H]+

This MassBank record with Accession MSBNK-mFam-MC21_000731 contains the MS2 mass spectrum of Carvacrol with the InChIkey RECUKUPTGUEGMW-UHFFFAOYSA-N.

Chemical Information

Molecular Image
InChI InChI=1S/C10H14O/c1-7(2)9-5-4-8(3)10(11)6-9/h4-7,11H,1-3H3
SMILES CC1=C(C=C(C=C1)C(C)C)O
InChI Key RECUKUPTGUEGMW-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/4.0
Source https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-mFam-MC21_000731
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Maintainer
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MetadataPublished 2023-01-31
Related Molecule
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    • Field Value
    Measurement Technique liquid chromatography-mass spectrometry
    Measurement Variables
    Data-Source Molecule ID Data-Source
    DB16404 drugbank
    CHEBI:3440 chebi
    LMPR0102090017 lipidmaps
    S5V rcsb_pdb
    CHEMBL281202 chembl
    24734 surechembl
    29544247 surechembl
    10364 pubchem
    9B1J4V995Q fdasrs
    S5V pdbe
    2497 gtopdb
    PD050213 probes_and_drugs
    OKUROE CCDC
    259900 brenda
    6150 brenda
    HMDB0035770 hmdb
    DTXSID6042074 comptox
    NCT05445089 clinicaltrials
    FDB014512 foodb
    Molport-001-791-894 molport
    50240433 bindingdb
    The data in this table is sourced from UniChem at EBI.