Dataset

Culmorin

This MassBank record with Accession MSBNK-AAFC-AC000098 contains the MS2 mass spectrum of Culmorin with the InChIkey VWMGBHVRRNKOAE-PDMNRUCYSA-N.

Chemical Info

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-AC000098
Version
Author
Maintainer
Language
MetadataCreated 2024-01-11T09:21:52.366544
MetadataModified 2024-01-11T09:21:52.525276
MetadataPublished 2017-07-07
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.