Dataset

Fumonisin Py2

This MassBank record with Accession MSBNK-AAFC-AC000937 contains the MS2 mass spectrum of Fumonisin Py2 with the InChIkey GZCJIEXTWGJVIN-MKHOGIGVSA-N.

Chemical Info

molecular Image
InChI InChI=1S/C34H56O15/c1-5-6-12-21(3)32(49-31(43)18-24(34(46)47)16-29(40)41)27(48-30(42)17-23(33(44)45)15-28(38)39)14-20(2)11-9-7-8-10-13-25(36)19-26(37)22(4)35/h20-21,23-27,32,36-37H,5-19H2,1-4H3,(H,38,39)(H,40,41)(H,44,45)(H,46,47)/t20-,21+,23+,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](CCCCCC[C@@H](O)C[C@H](O)C(C)=O)C)C
InChI Key GZCJIEXTWGJVIN-MKHOGIGVSA-N
Molecular Formula C34H56O15
Exact Mass 704.362 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-AC000937
Version
Author
Maintainer
Language
MetadataCreated 2024-01-11T09:25:41.939398
MetadataModified 2024-01-11T09:25:42.210162
MetadataPublished 2017-07-07
Field Value
Measurement Technique liquid chromatography-mass spectrometry
Measurement Variables
Data-Source Molecule ID Data-Source
137628394 PubChem
183918 ChEBI
The data in this table is sourced from UniChem at EBI.