Dataset

5-hydroxyculmorin; LC-ESI-ITFT; MS2; CE: 40; R=17500; [M-H2O+H]+

This MassBank record with Accession MSBNK-AAFC-AC000104 contains the MS2 mass spectrum of 5-hydroxyculmorin with the InChIkey XFKGEQRMYJCXFK-YTAGIEBCSA-N.

Chemical Information

molecular Image
InChI InChI=1S/C15H26O3/c1-13(2)9(17)5-6-14(3)10-8(16)7-15(14,4)12(18)11(10)13/h8-12,16-18H,5-7H2,1-4H3/t8-,9-,10+,11+,12?,14-,15-/m1/s1
SMILES C[C@@]12CC[C@H](C([C@H]3[C@@H]1[C@@H](C[C@@]2(C3O)C)O)(C)C)O
InChI Key XFKGEQRMYJCXFK-YTAGIEBCSA-N
Molecular Formula C15H26O3
Exact Mass 254.188 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-AC000104
Version
Author
Maintainer
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MetadataPublished 2017-07-07
Related Molecule
  • (1S,2R,5R,7R,9S,11R)-2,6,6,9-tetramethyltricyclo[5.4.0.02,9]undecane-5,8,11-triol
    • Field Value
    Measurement Technique liquid chromatography-mass spectrometry
    Measurement Variables
    Data-Source Molecule ID Data-Source
    122706895 PubChem
    The data in this table is sourced from UniChem at EBI.