Dataset

Aflatoxin G1

This MassBank record with Accession MSBNK-AAFC-AC000034 contains the MS2 mass spectrum of Aflatoxin G1 with the InChIkey XWIYFDMXXLINPU-WNWIJWBNSA-N.

Chemical Info

molecular Image
InChI InChI=1S/C17H12O7/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/h3,5-6,8,17H,2,4H2,1H3/t8-,17+/m0/s1
SMILES COC1=C2C3=C(C(=O)OCC3)C(=O)OC2=C4[C@@H]5C=CO[C@@H]5OC4=C1
InChI Key XWIYFDMXXLINPU-WNWIJWBNSA-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-AC000034
Version
Author
Maintainer
Language
MetadataCreated 2024-01-11T09:22:23.291108
MetadataModified 2024-01-11T09:22:23.445936
MetadataPublished 2017-07-07
Field Value
Measurement Technique liquid chromatography-mass spectrometry
Measurement Variables
Data-Source Molecule ID Data-Source
ZINC000002039832 ZINC
80706 ChEBI
66196 Brenda
HY-N6697 MedChemExpress
2724361 PubChem
70004207 NMRShiftDB
PD044474 ProbesDrugs
1DB78J7PUD FDA SRS
J9.339D Nikkaji
713392 eMolecules
29371355 eMolecules
C16755 KEGG Ligand
The data in this table is sourced from UniChem at EBI.