Dataset

Acetylcedrene; LC-ESI-QFT; MS2; CE: 30%; R=15000; [M+H]+

This MassBank record with Accession MSBNK-Eawag-EQ00380702 contains the MS2 mass spectrum of Acetylcedrene with the InChIkey YBUIAJZFOGJGLJ-UHFFFAOYSA-N.

Chemical Information

molecular Image
InChI InChI=1S/C17H26O/c1-10-6-7-15-16(4,5)14-9-17(10,15)8-13(11(14)2)12(3)18/h10,14-15H,6-9H2,1-5H3
SMILES CC1CCC2C13CC(C2(C)C)C(=C(C3)C(=O)C)C
InChI Key YBUIAJZFOGJGLJ-UHFFFAOYSA-N
Molecular Formula C17H26O
Exact Mass 246.198 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-EQ00380702
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MetadataPublished 2024-06-14
Related Molecule
  • 1-(2,6,6,8-tetramethyl-9-tricyclo[5.3.1.01,5]undec-8-enyl)ethanone
    • Field Value
    Measurement Technique liquid chromatography-mass spectrometry
    Measurement Variables
    Data-Source Molecule ID Data-Source
    SCHEMBL442537 SureChEMBL
    126239-49-4 ACToR
    32388-55-9 ACToR
    68039-35-0 ACToR
    24263600 PubChem: Thomson Pharma
    DTXSID00860469 EPA CompTox Dashboard
    107065 PubChem
    J288.961G Nikkaji
    The data in this table is sourced from UniChem at EBI.