Dataset

Aflatoxin G1

This MassBank record with Accession MSBNK-AAFC-AC000037 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-AC000037
Version
Author
Maintainer
Language
MetadataCreated 2024-01-11T09:22:19.717363
MetadataModified 2024-01-11T09:22:19.863515
MetadataPublished 2017-07-07
Field Value
Measurement Technique liquid chromatography-mass spectrometry
Measurement Variables
Data-Source Molecule ID Data-Source
713392 eMolecules
70004207 NMRShiftDB
29371355 eMolecules
C16755 KEGG Ligand
2724361 PubChem
PD044474 ProbesDrugs
MolPort-004-963-474 MolPort
HY-N6697 MedChemExpress
66196 Brenda
80706 ChEBI
ZINC000002039832 ZINC
1DB78J7PUD FDA SRS
J9.339D Nikkaji
The data in this table is sourced from UniChem at EBI.