Fumonisin B2 13C34 10 µg/mL in Acetonitrile/Water

Analyte Name

Fumonisin B2 (U-13C34)

CAS Number

1217481-36-1

Molecular Formula

13C34 H59 N O14

Molecular Weight

739.58

Concentration

10 µg/mL

Accurate Mass

739.5076

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][13CH2][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/C34H59NO14/c1-5-6-12-21(3)32(49-31(43)18-24(34(46)47)16-29(40)41)27(48-30(42)17-23(33(44)45)15-28(38)39)14-20(2)11-9-7-8-10-13-25(36)19-26(37)22(4)35/h20-27,32,36-37H,5-19,35H2,1-4H3,(H,38,39)(H,40,41)(H,44,45)(H,46,47)/t20-,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,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]-10,12-dihydroxy-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

116355-84-1

SIL Type

Carbon

Storage Temperature

+4°C

Shipping Temperature

+20°C

Country of Origin

AUSTRIA

Transport Restrictions

Air Excepted

Product Type

Stable Isotope Labelled

Product Format

Single Solution

Solvent

Water:Acetonitrile