Dataset

Deoxynivalenol

This MassBank record with Accession MSBNK-AAFC-AC000112 contains the MS2 mass spectrum of Deoxynivalenol with the InChIkey LINOMUASTDIRTM-QGRHZQQGSA-N.

Chemical Info

molecular Image
InChI InChI=1S/C15H20O6/c1-7-3-9-14(5-16,11(19)10(7)18)13(2)4-8(17)12(21-9)15(13)6-20-15/h3,8-9,11-12,16-17,19H,4-6H2,1-2H3/t8-,9-,11-,12-,13-,14-,15+/m1/s1
SMILES CC1=C[C@@H]2[C@]([C@@H](C1=O)O)([C@]3(C[C@H]([C@H]([C@@]34CO4)O2)O)C)CO
InChI Key LINOMUASTDIRTM-QGRHZQQGSA-N
Molecular Formula C15H20O6
Exact Mass 296.126 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-AC000112
Version
Author
Maintainer
Language
MetadataCreated 2024-01-11T09:25:29.387651
MetadataModified 2024-01-11T09:25:29.569276
MetadataPublished 2017-07-07
Field Value
Measurement Technique liquid chromatography-mass spectrometry
Measurement Variables
Data-Source Molecule ID Data-Source
26757232 eMolecules
474372 eMolecules
CHEMBL513300 ChEMBL
CB0391546 ChemicalBook
ZINC000005457778 ZINC
MTBLC10022 Metabolights
DTXSID3020382 EPA CompTox Dashboard
HY-N6684 MedChemExpress
10022 ChEBI
JT37HYP23V FDA SRS
J3.819I Nikkaji
51481-10-8 ACToR
115825-61-1 ACToR
PD041293 ProbesDrugs
3J6 PDBe
SCHEMBL2694361 SureChEMBL
60059545 NMRShiftDB
15047863 PubChem: Thomson Pharma
40024 PubChem
LMPR0103180004 LipidMaps
The data in this table is sourced from UniChem at EBI.