Dataset

Nerol; LC-ESI-QTOF; MS2; CE: 15.00; [M-H2O+H]+

This MassBank record with Accession MSBNK-mFam-MC21_000460 contains the MS2 mass spectrum of Nerol with the InChIkey GLZPCOQZEFWAFX-UHFFFAOYSA-N.

Chemical Information

Molecular Image
InChI InChI=1S/C10H18O/c1-9(2)5-4-6-10(3)7-8-11/h5,7,11H,4,6,8H2,1-3H3
SMILES CC(=CCCC(=CCO)C)C
InChI Key GLZPCOQZEFWAFX-UHFFFAOYSA-N
Exact Mass 154.136 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_000460
Version
Author
Maintainer
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MetadataPublished 2023-01-31
Related Molecule
  • 3,7-dimethylocta-2,6-dien-1-ol
    • Field Value
    Measurement Technique liquid chromatography-mass spectrometry
    Measurement Variables
    Data-Source Molecule ID Data-Source
    CHEBI:24221 chebi
    19826 surechembl
    4458 pubchem
    2467 gtopdb
    PD014286 probes_and_drugs
    ZURVUG CCDC
    105724 brenda
    HMDB0247145 hmdb
    DTXSID7041380 comptox
    The data in this table is sourced from UniChem at EBI.