Dataset

Aflatoxin G1

This MassBank record with Accession MSBNK-Athens_Univ-AU596435 contains the MS2 mass spectrum of Aflatoxin G1 with the InChIkey XWIYFDMXXLINPU-UHFFFAOYSA-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
SMILES COC1=C2C3=C(C(=O)OCC3)C(=O)OC2=C4C5C=COC5OC4=C1
InChI Key XWIYFDMXXLINPU-UHFFFAOYSA-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/4.0
Source https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-Athens_Univ-AU596435
Version
Author
Maintainer
Language
MetadataCreated 2024-01-11T10:10:17.081400
MetadataModified 2025-02-08T19:09:03.405498
MetadataPublished 2020-04-11
Field Value
Measurement Technique liquid chromatography-mass spectrometry
Measurement Variables
Data-Source Molecule ID Data-Source
14421 PubChem
190729 ChEBI
PD044473 ProbesDrugs
499352 eMolecules
1165-39-5 ACToR
1402-68-2 ACToR
SCHEMBL50772 SureChEMBL
76503 NMRShiftDB
HMDB0030474 Human Metabolome Database
75600 Brenda
AFOXBZ CCDC
DTXSID6040959 EPA CompTox Dashboard
CB4702106 ChemicalBook
15347624 PubChem: Thomson Pharma
The data in this table is sourced from UniChem at EBI.