Dataset

Traversianal

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

Chemical Info

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
Language
MetadataCreated 2024-01-11T09:25:05.175430
MetadataModified 2024-01-11T09:25:05.370154
MetadataPublished 2017-07-07
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.