Dataset

Aflatoxin G2

This MassBank record with Accession MSBNK-AAFC-AC000043 contains the MS2 mass spectrum of Aflatoxin G2 with the InChIkey WPCVRWVBBXIRMA-WNWIJWBNSA-N.

Chemical Info

molecular Image
InChI InChI=1S/C17H14O7/c1-20-9-6-10-12(8-3-5-22-17(8)23-10)14-11(9)7-2-4-21-15(18)13(7)16(19)24-14/h6,8,17H,2-5H2,1H3/t8-,17+/m0/s1
SMILES COC1=C2C3=C(C(=O)OCC3)C(=O)OC2=C4[C@@H]5CCO[C@@H]5OC4=C1
InChI Key WPCVRWVBBXIRMA-WNWIJWBNSA-N
Molecular Formula C17H14O7
Exact Mass 330.074 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-AC000043
Version
Author
Maintainer
Language
MetadataCreated 2024-01-11T09:24:20.027380
MetadataModified 2024-01-11T09:24:20.208679
MetadataPublished 2017-07-07
Field Value
Measurement Technique liquid chromatography-mass spectrometry
Measurement Variables
Data-Source Molecule ID Data-Source
C16754 KEGG Ligand
ZINC000002029390 ZINC
80705 ChEBI
HY-N6698 MedChemExpress
J9.341F Nikkaji
29371354 eMolecules
476042 eMolecules
92317 Brenda
CB3291098 ChemicalBook
DTXSID80891796 EPA CompTox Dashboard
2MS0D8WA29 FDA SRS
70004200 NMRShiftDB
PD041802 ProbesDrugs
2724362 PubChem
The data in this table is sourced from UniChem at EBI.