Dataset

Culmorin; LC-ESI-ITFT; MS2; CE: 40; R=17500; [M+H]+

This MassBank record with Accession MSBNK-AAFC-AC000099 contains the MS2 mass spectrum of Culmorin with the InChIkey VWMGBHVRRNKOAE-PDMNRUCYSA-N.

Chemical Information

molecular Image
InChI InChI=1S/C15H26O2/c1-13(2)6-5-7-14(3)10-9(16)8-15(14,4)12(17)11(10)13/h9-12,16-17H,5-8H2,1-4H3/t9-,10+,11+,12?,14-,15-/m1/s1
SMILES C[C@@]12CCCC([C@H]3[C@@H]1[C@@H](C[C@@]2(C3O)C)O)(C)C
InChI Key VWMGBHVRRNKOAE-PDMNRUCYSA-N
Molecular Formula C15H26O2
Exact Mass 238.193 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-AC000099
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Maintainer
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MetadataPublished 2017-07-07
Related Molecule
  • (1S,2R,7R,9S,11R)-2,6,6,9-tetramethyltricyclo[5.4.0.02,9]undecane-8,11-diol
    • Field Value
    Measurement Technique liquid chromatography-mass spectrometry
    Measurement Variables
    Data-Source Molecule ID Data-Source
    115285 PubChem
    18374-83-9 ACToR
    DTXSID10891805 EPA CompTox Dashboard
    The data in this table is sourced from UniChem at EBI.