Dataset

Traversianal; LC-ESI-ITFT; MS2; CE: 10; R=17500; [M+H]+

This MassBank record with Accession MSBNK-AAFC-AC000243 contains the MS2 mass spectrum of Traversianal with the InChIkey QXVAWAHULUVLPT-FHIBGDQLSA-N.

Chemical Information

molecular Image
InChI InChI=1S/C20H28O3/c1-12(2)15-7-8-19(4)10-17-13(3)9-18(22)20(17,23)14(11-21)5-6-16(15)19/h5,11,13,15-17,23H,1,6-10H2,2-4H3/b14-5-/t13-,15-,16+,17-,19-,20+/m1/s1
SMILES C[C@@H]1CC(=O)[C@]/2([C@@H]1C[C@]3(CC[C@@H]([C@@H]3C/C=C2/C=O)C(=C)C)C)O
InChI Key QXVAWAHULUVLPT-FHIBGDQLSA-N
Molecular Formula C20H28O3
Exact Mass 316.204 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-AAFC-AC000243
Version
Author
Maintainer
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MetadataPublished 2017-07-07
Related Molecule
  • (1R,3R,4R,7R,8E,11S,12S)-7-hydroxy-1,4-dimethyl-6-oxo-12-prop-1-en-2-yltricyclo[9.3.0.03,7]tetradec-8-ene-8-carbaldehyde
    • Field Value
    Measurement Technique liquid chromatography-mass spectrometry
    Measurement Variables
    Data-Source Molecule ID Data-Source
    DTXSID40891818 EPA CompTox Dashboard
    70073942 NMRShiftDB
    108605-66-9 ACToR
    6442110 PubChem
    The data in this table is sourced from UniChem at EBI.