Dataset

Aflatoxin M1

This MassBank record with Accession MSBNK-AAFC-AC000047 contains the MS2 mass spectrum of Aflatoxin M1 with the InChIkey MJBWDEQAUQTVKK-IAGOWNOFSA-N.

Chemical Info

molecular Image
InChI InChI=1S/C17H12O7/c1-21-9-6-10-13(17(20)4-5-22-16(17)23-10)14-12(9)7-2-3-8(18)11(7)15(19)24-14/h4-6,16,20H,2-3H2,1H3/t16-,17-/m1/s1
SMILES COC1=C2C3=C(C(=O)CC3)C(=O)OC2=C4C(=C1)O[C@@H]5[C@]4(C=CO5)O
InChI Key MJBWDEQAUQTVKK-IAGOWNOFSA-N
Molecular Formula C17H12O7
Exact Mass 328.058 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-AC000047
Version
Author
Maintainer
Language
MetadataCreated 2024-01-11T09:21:59.726026
MetadataModified 2024-01-11T09:21:59.921015
MetadataPublished 2017-07-07
Field Value
Measurement Technique liquid chromatography-mass spectrometry
Measurement Variables
Data-Source Molecule ID Data-Source
C16756 KEGG Ligand
499350 eMolecules
DTXSID40891797 EPA CompTox Dashboard
HMDB0030479 Human Metabolome Database
MTBLC78576 Metabolights
92319 Brenda
ZINC000000402666 ZINC
CB7494530 ChemicalBook
78576 ChEBI
J5.140C Nikkaji
15558498 PubChem
I3020O28I3 FDA SRS
60026041 NMRShiftDB
PD133589 ProbesDrugs
The data in this table is sourced from UniChem at EBI.