Dataset

NX2 toxin

This MassBank record with Accession MSBNK-AAFC-AC000399 contains the MS2 mass spectrum of NX2 toxin with the InChIkey NKCFJIIVGLENIK-NOCMYWHHSA-N.

Chemical Info

molecular Image
InChI InChI=1S/C17H24O6/c1-9-4-12(20)16(7-18)13(5-9)23-14-11(22-10(2)19)6-15(16,3)17(14)8-21-17/h5,11-14,18,20H,4,6-8H2,1-3H3/t11-,12-,13-,14-,15-,16+,17+/m1/s1
SMILES CC1=C[C@@H]2[C@]([C@@]3(C)C[C@@H](OC(C)=O)[C@@H](O2)[C@@]34CO4)(CO)[C@H](O)C1
InChI Key NKCFJIIVGLENIK-NOCMYWHHSA-N
Molecular Formula C17H24O6
Exact Mass 324.157 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-AC000399
Version
Author
Maintainer
Language
MetadataCreated 2024-01-11T09:23:25.335933
MetadataModified 2024-01-11T09:23:25.488581
MetadataPublished 2017-07-07
Field Value
Measurement Technique liquid chromatography-mass spectrometry
Measurement Variables
Data-Source Molecule ID Data-Source
J3.353.832D Nikkaji
101882585 PubChem
DTXSID40894046 EPA CompTox Dashboard
The data in this table is sourced from UniChem at EBI.