Dataset

Fumonisin B2

This MassBank record with Accession MSBNK-Athens_Univ-AU596904 contains the MS2 mass spectrum of Fumonisin B2 with the InChIkey UXDPXZQHTDAXOZ-UHFFFAOYSA-N.

Chemical Info

molecular Image
InChI InChI=1S/C34H59NO14/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/h20-27,32,36-37H,5-19,35H2,1-4H3,(H,38,39)(H,40,41)(H,44,45)(H,46,47)
SMILES CCCCC(C)C(C(CC(C)CCCCCCC(CC(C(C)N)O)O)OC(=O)CC(CC(=O)O)C(=O)O)OC(=O)CC(CC(=O)O)C(=O)O
InChI Key UXDPXZQHTDAXOZ-UHFFFAOYSA-N
Molecular Formula C34H59NO14
Exact Mass 705.394 g/mol

Data and Resources

Metadata Information

Field Value
DOI
License URL https://creativecommons.org/licenses/by/4.0
Source https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-Athens_Univ-AU596904
Version
Author
Maintainer
Language
MetadataCreated 2024-01-11T09:48:05.460901
MetadataModified 2025-02-08T19:06:51.006724
MetadataPublished 2020-04-11
Related Molecule
Field Value
Measurement Technique liquid chromatography-mass spectrometry
Measurement Variables
Data-Source Molecule ID Data-Source
PD050802 ProbesDrugs
80017988 NMRShiftDB
116355-84-1 ACToR
16644164 PubChem: Thomson Pharma
3432 PubChem
538352 eMolecules
HMDB0034703 Human Metabolome Database
The data in this table is sourced from UniChem at EBI.