Dataset

Fumonisin Py4

This MassBank record with Accession MSBNK-AAFC-AC000941 contains the MS2 mass spectrum of Fumonisin Py4 with the InChIkey PUZDIGQDECBVJT-FLTFDZFMSA-N.

Chemical Info

molecular Image
InChI InChI=1S/C34H56O14/c1-5-6-14-22(3)32(48-31(42)20-25(34(45)46)18-29(39)40)27(47-30(41)19-24(33(43)44)17-28(37)38)16-21(2)13-11-9-7-8-10-12-15-26(36)23(4)35/h21-22,24-27,32,36H,5-20H2,1-4H3,(H,37,38)(H,39,40)(H,43,44)(H,45,46)/t21-,22+,24+,25+,26-,27-,32+/m0/s1
SMILES CCCC[C@H]([C@@H](OC(C[C@H](C(O)=O)CC(O)=O)=O)[C@@H](OC(C[C@H](C(O)=O)CC(O)=O)=O)C[C@H](CCCCCCCC[C@H](O)C(C)=O)C)C
InChI Key PUZDIGQDECBVJT-FLTFDZFMSA-N
Molecular Formula C34H56O14
Exact Mass 688.367 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-AC000941
Version
Author
Maintainer
Language
MetadataCreated 2024-01-11T09:22:35.672154
MetadataModified 2024-01-11T09:22:35.836464
MetadataPublished 2017-07-07
Field Value
Measurement Technique liquid chromatography-mass spectrometry
Measurement Variables
Data-Source Molecule ID Data-Source
137628494 PubChem
183919 ChEBI
The data in this table is sourced from UniChem at EBI.