Dataset

Zearalenone

This MassBank record with Accession MSBNK-AAFC-AC000290 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-AC000290
Version
Author
Maintainer
Language
MetadataCreated 2024-01-11T09:25:52.077370
MetadataModified 2024-01-11T09:25:52.222539
MetadataPublished 2017-07-07
Field Value
Measurement Technique liquid chromatography-mass spectrometry
Measurement Variables
Data-Source Molecule ID Data-Source
16728 Brenda
CB4131407 ChemicalBook
MTBLC10106 Metabolights
50247676 BindingDB
ZINC000003881412 ZINC
DTXSID0021460 EPA CompTox Dashboard
LMPK04000016 LipidMaps
HY-103447 MedChemExpress
J2.749I Nikkaji
ZEARLN CCDC
J3.201.628F Nikkaji
MCULE-7589492367 Mcule
5281576 PubChem
60027499 NMRShiftDB
PD020069 ProbesDrugs
14850406 PubChem: Thomson Pharma
5W827M159J FDA SRS
ZER PDBe
SCHEMBL33754 SureChEMBL
zearalenone Atlas
CHEMBL454173 ChEMBL
10106 ChEBI
C09981 KEGG Ligand
533474 eMolecules
The data in this table is sourced from UniChem at EBI.