Fumonisin B1 13C34 25 µg/mL in Acetonitrile/Water

Analyte Name

Fumonisin B1 (13C34)

CAS Number

1217458-62-2

Molecular Formula

13C34 H59 N O15

Molecular Weight

755.58

Measured Value

25 µg/mL

Accurate Mass

755.5025

SMILES

[13CH3][13CH2][13CH2][13CH2][13C@@H]([13CH3])[13C@@H](O[13C](=O)[13CH2][13C@@H]([13CH2][13C](=O)O)[13C](=O)O)[13C@H]([13CH2][13C@@H]([13CH3])[13CH2][13C@H](O)[13CH2][13CH2][13CH2][13CH2][13C@@H](O)[13CH2][13C@H](O)[13C@H]([13CH3])N)O[13C](=O)[13CH2][13C@@H]([13CH2][13C](=O)O)[13C](=O)O

InChI

InChI=1S/C34H59NO15/c1-5-6-9-20(3)32(50-31(44)17-23(34(47)48)15-29(41)42)27(49-30(43)16-22(33(45)46)14-28(39)40)13-19(2)12-24(36)10-7-8-11-25(37)18-26(38)21(4)35/h19-27,32,36-38H,5-18,35H2,1-4H3,(H,39,40)(H,41,42)(H,45,46)(H,47,48)/t19-,20+,21-,22+,23+,24+,25+,26-,27-,32+/m0/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+1,21+1,22+1,23+1,24+1,25+1,26+1,27+1,28+1,29+1,30+1,31+1,32+1,33+1,34+1

IUPAC

(2R)-2-[2-[(1S,3S,5R,10R,12S,13S)-13-amino-1-[(1R,2R)-1-[(3R)-3,4-bis(hydroxycarbonyl)(1,2,3,4-^{13}C_{4})butanoyl]oxy-2-(1^{13}C)methyl-(1,2,3,4,5,6-^{13}C_{6})hexyl]-5,10,12-trihydroxy-3-(1^{13}C)methyl-(1,2,3,4,5,6,7,8,9,10,11,12,13,14-^{13}C_{14})tetradecoxy]-2-oxo-(1,2-^{13}C_{2})ethyl](1,2,3,4-^{13}C_{4})butanedioic acid

Unlabelled CAS Number

116355-83-0

SIL Type

Carbon

Storage Temperature

+4°C

Shipping Temperature

Room Temperature

Country of Origin

AUSTRIA

Transport Restrictions

Air Excepted

Product Type

Stable Isotope Labelled

Product Format

Single Solution

Solvent

Water:Acetonitrile