Dataset

Zearalenone

This MassBank record with Accession MSBNK-AAFC-AC000292 contains the MS2 mass spectrum of Zearalenone with the InChIkey MBMQEIFVQACCCH-QBODLPLBSA-N.

Chemical Info

molecular Image
InChI InChI=1S/C18H22O5/c1-12-6-5-9-14(19)8-4-2-3-7-13-10-15(20)11-16(21)17(13)18(22)23-12/h3,7,10-12,20-21H,2,4-6,8-9H2,1H3/b7-3+/t12-/m0/s1
SMILES C[C@H]1CCCC(=O)CCC/C=C/C2=CC(=CC(=C2C(=O)O1)O)O
InChI Key MBMQEIFVQACCCH-QBODLPLBSA-N
Molecular Formula C18H22O5
Exact Mass 318.147 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-AC000292
Version
Author
Maintainer
Language
MetadataCreated 2024-01-11T09:27:10.740225
MetadataModified 2024-01-11T09:27:10.888678
MetadataPublished 2017-07-07
Field Value
Measurement Technique liquid chromatography-mass spectrometry
Measurement Variables
Data-Source Molecule ID Data-Source
16728 Brenda
MTBLC10106 Metabolights
CB4131407 ChemicalBook
533474 eMolecules
MCULE-7589492367 Mcule
5281576 PubChem
14850406 PubChem: Thomson Pharma
SCHEMBL33754 SureChEMBL
ZER PDBe
5W827M159J FDA SRS
zearalenone Atlas
PD020069 ProbesDrugs
60027499 NMRShiftDB
HY-103447 MedChemExpress
50247676 BindingDB
J3.201.628F Nikkaji
ZEARLN CCDC
J2.749I Nikkaji
LMPK04000016 LipidMaps
DTXSID0021460 EPA CompTox Dashboard
ZINC000003881412 ZINC
C09981 KEGG Ligand
CHEMBL454173 ChEMBL
10106 ChEBI
The data in this table is sourced from UniChem at EBI.