13C6 Ochratoxin A Calibration Solution CRM

Analyte Name

Ochratoxin A phenyl-13C6

Molecular Formula

13C6 C14 H18 Cl N O6

Molecular Weight

409.77

Concentration

4.91 μg/g

Accurate Mass

409.1024

SMILES

CC1Cc2c(Cl)cc(C(=O)N[C@@H](C[13c]3[13cH][13cH][13cH][13cH][13cH]3)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-/m0/s1/i2+1,3+1,4+1,5+1,6+1,11+1

IUPAC

(2S)-2-[(5-chloro-8-hydroxy-3-methyl-1-oxo-isochromane-7-carbonyl)amino]-3-((1,2,3,4,5,6-13C6)cyclohexatrienyl)propanoic acid

SIL Type

Carbon

Storage Temperature

-20°C

Shipping Temperature

Ice pack (-20°C)

Country of Origin

CANADA