Rye flour containing mycotoxins

Analyte Name

Ochratoxin A

CAS Number

303-47-9

Molecular Formula

C20 H18 Cl N O6

Molecular Weight

403.81

Concentration

4.05 μg/kg

Accurate Mass

403.0823

SMILES

C[C@@H]1Cc2c(Cl)cc(C(=O)N[C@@H](Cc3ccccc3)C(=O)O)c(O)c2C(=O)O1

InChI

InChI=1S/C20H18ClNO6/c1-10-7-12-14(21)9-13(17(23)16(12)20(27)28-10)18(24)22-15(19(25)26)8-11-5-3-2-4-6-11/h2-6,9-10,15,23H,7-8H2,1H3,(H,22,24)(H,25,26)/t10-,15+/m1/s1

IUPAC

(2S)-2-[[(3R)-5-chloro-8-hydroxy-3-methyl-1-oxo-3,4-dihydroisochromene-7-carbonyl]amino]-3-phenylpropanoic acid

Storage Temperature

-20°C

Shipping Temperature

Ice pack (-20°C)

Country of Origin

CANADA

Product Format

Matrix Material

Matrix

Rye flour