Ochratoxin A 13C20 10 µg/mL in Acetonitrile

Analyte Name

Ochratoxin A (13C20)

CAS Number

911392-42-2

Molecular Formula

13C20 H18 Cl N O6

Molecular Weight

423.67

Concentration

10 µg/mL

Accurate Mass

423.1494

SMILES

[13CH3][13C@@H]1[13CH2][13c]2[13c](Cl)[13cH][13c]([13C](=O)N[13C@@H]([13CH2][13c]3[13cH][13cH][13cH][13cH][13cH]3)[13C](=O)O)[13c](O)[13c]2[13C](=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/i1+1,2+1,3+1,4+1,5+1,6+1,7+1,8+1,9+1,10+1,11+1,12+1,13+1,14+1,15+1,16+1,17+1,18+1,19+1,20+1

IUPAC

(2S)-2-[[(3R)-5-chloro-8-hydroxy-3-(1^{13}C)methyl-1-oxo-3,4-dihydroisochromene-7-carbonyl]amino]-3-((1,2,3,4,5,6-^{13}C_{6})cyclohexatrienyl)(1,2,3-^{13}C_{3})propanoic acid

Unlabelled CAS Number

303-47-9

SIL Type

Carbon

Storage Temperature

-20°C

Shipping Temperature

+20°C

Country of Origin

AUSTRIA

Transport Restrictions

Air Excepted

Product Format

Single Solution

Solvent

Acetonitrile