Dataset

Aflatoxin B2

This MassBank record with Accession MSBNK-AAFC-AC000028 contains the MS2 mass spectrum of Aflatoxin B2 with the InChIkey WWSYXEZEXMQWHT-WNWIJWBNSA-N.

Chemical Info

molecular Image
InChI InChI=1S/C17H14O6/c1-20-10-6-11-14(8-4-5-21-17(8)22-11)15-13(10)7-2-3-9(18)12(7)16(19)23-15/h6,8,17H,2-5H2,1H3/t8-,17+/m0/s1
SMILES COC1=C2C3=C(C(=O)CC3)C(=O)OC2=C4[C@@H]5CCO[C@@H]5OC4=C1
InChI Key WWSYXEZEXMQWHT-WNWIJWBNSA-N
Molecular Formula C17H14O6
Exact Mass 314.079 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-AC000028
Version
Author
Maintainer
Language
MetadataCreated 2024-01-11T09:24:34.971935
MetadataModified 2024-01-11T09:24:35.132123
MetadataPublished 2017-07-07
Field Value
Measurement Technique liquid chromatography-mass spectrometry
Measurement Variables
Data-Source Molecule ID Data-Source
CB0236746 ChemicalBook
48209 Rhea
29709 Brenda
MTBLC48209 Metabolights
DTXSID70222535 EPA CompTox Dashboard
ZINC000000402720 ZINC
16892239 PubChem: Thomson Pharma
16690201 PubChem: Thomson Pharma
48209 ChEBI
70004184 NMRShiftDB
PD133555 ProbesDrugs
2724360 PubChem
J37.504G Nikkaji
SCHEMBL14424508 SureChEMBL
DIHATO CCDC
7SKR7S646P FDA SRS
C16753 KEGG Ligand
29371357 eMolecules
476040 eMolecules
The data in this table is sourced from UniChem at EBI.