Dataset

Aflatoxin B1

This MassBank record with Accession MSBNK-Athens_Univ-AU596233 contains the MS2 mass spectrum of Aflatoxin B1 with the InChIkey OQIQSTLJSLGHID-UHFFFAOYSA-N.

Chemical Info

molecular Image
InChI InChI=1S/C17H12O6/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/h4-6,8,17H,2-3H2,1H3
SMILES COC1=C2C3=C(C(=O)CC3)C(=O)OC2=C4C5C=COC5OC4=C1
InChI Key OQIQSTLJSLGHID-UHFFFAOYSA-N
Molecular Formula C17H12O6
Exact Mass 312.063 g/mol

Data and Resources

Metadata Information

Field Value
DOI
License URL
Source https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-Athens_Univ-AU596233
Version
Author
Maintainer
Language
MetadataCreated 2024-01-11T09:48:16.492353
MetadataModified 2024-01-11T09:48:16.634840
MetadataPublished 2020-04-11
Field Value
Measurement Technique liquid chromatography-mass spectrometry
Measurement Variables
Data-Source Molecule ID Data-Source
SCHEMBL126479 SureChEMBL
10016317 NMRShiftDB
LMPK10000006 LipidMaps
DTXSID70873006 EPA CompTox Dashboard
125421 ChEBI
LSM-36909 LINCS
15444712 PubChem: Thomson Pharma
14403 PubChem
11003-08-0 ACToR
1162-65-8 ACToR
PD019703 ProbesDrugs
MolPort-006-147-716 MolPort
31240740 eMolecules
C06800 KEGG Ligand
The data in this table is sourced from UniChem at EBI.