Aflatoxin B1

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Systematic / IUPAC Name: 4-Methoxy-2,3,6α,9α-tetrahydrocyclopenta[c]furo[3',2':4,5]furo[2,3-h]chromene-1,11-dione

ID: Reference300

Other Names: {Cyclopenta[c]furo[3',2':4,} {5]furo[2,3-H][1]benzopyran-1,11-dione,} 2,3,6α, 9α-tetrahydro-4-methoxy-;
Afb1;
Aflatoxin;
Aflatoxin-B1

Formula: C17H12O6

Class: Endogenous Metabolites Natural Toxins

Spectral Data

Aflatoxin B1 mass spectral data can be found in a separate interface. The data are manually curated and of the highest quality.

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Available MS Data

Used Instruments Orbitrap Elite
No. of Spectral Trees 2
No. of Spectra 6278
Tandem Spectra MS1, MS2, MS3, MS4, MS5, MS6, MS7
Ionization Methods ESI; NSI
Analyzers IT; FT
Last Modification 12/11/2014 9:26:27 AM
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Identificators

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
InChI Key OQIQSTLJSLGHID-UHFFFAOYSA-N
Canonical SMILES COC1=C2C3=C(C(=O)CC3)C(=O)OC2=C4C5C=COC5OC4=C1
CAS 1162658
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Other Names {Cyclopenta[c]furo[3',2':4,} {5]furo[2,3-H][1]benzopyran-1,11-dione,} 2,3,6α, 9α-tetrahydro-4-methoxy-;
Afb1;
Aflatoxin;
Aflatoxin-B1

In Other Databases

ChemSpider 13758
ChemIDPlus 001162658
KEGG C06800
PubChem 14403
HMDb HMDB06552
Wikipedia Aflatoxin; Aflatoxin B1