Dataset

Picrotoxinin

This MassBank record with Accession MSBNK-Washington_State_Univ-BML81952 contains the MS mass spectrum of Picrotoxinin with the InChIkey PIMZUZSSNYHVCU-UHFFFAOYSA-N.

Chemical Info

molecular Image
InChI InChI=1S/C15H16O6/c1-5(2)7-8-11(16)19-9(7)10-13(3)14(8,18)4-6-15(13,21-6)12(17)20-10/h6-10,18H,1,4H2,2-3H3
SMILES CC(=C)C1C2C3C4(C(C1C(=O)O2)(CC5C4(O5)C(=O)O3)O)C
InChI Key PIMZUZSSNYHVCU-UHFFFAOYSA-N
Molecular Formula C15H16O6
Exact Mass 292.095 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-Washington_State_Univ-BML81952
Version
Author
Maintainer
Language
MetadataCreated 2024-01-11T22:29:09.483149
MetadataModified 2024-01-11T22:29:09.679945
MetadataPublished 2016-01-19
Field Value
Measurement Technique liquid chromatography-mass spectrometry
Measurement Variables
Data-Source Molecule ID Data-Source
PD009304 ProbesDrugs
17617-45-7 ACToR
4816 PubChem
CIBCUL CCDC
MCULE-1048308281 Mcule
The data in this table is sourced from UniChem at EBI.