Analyte Name

Malonyl-L-carnitine(N,N,N-tri-13C-methyl) Trifluoroacetate

Molecular Formula

C7¹³C3H18NO6. C2F3O2

Molecular Weight

364.25

Accurate Mass

364.11

SMILES

O=C(CC(O)=O)O[C@H](CC(O)=O)C[N+]([13CH3])([13CH3])[13CH3].[O-]C(C(F)(F)F)=O

InChI

InChI=1S/C10H17NO6.C2HF3O2/c1-11(2,3)6-7(4-8(12)13)17-10(16)5-9(14)15;3-2(4,5)1(6)7/h7H,4-6H2,1-3H3,(H-,12,13,14,15);(H,6,7)/t7-;/m1./s1/i1+1,2+1,3+1;

IUPAC

(R)-3-carboxy-2-(2-carboxyacetoxy)-N,N,N-tri(methyl-13C)propan-1-aminium 2,2,2-trifluoroacetate

Unlabelled CAS Number

910825-21-7 (no salt)

SIL Type

Carbon

Shipping Temperature

Room Temperature

Country of Origin

CANADA

Product Format

Neat