Table 2.
Mass isotopomer distribution of labeled and unlabeled lactate and acetate determined by GC/MSa
Analyte | Mass isotopomer fraction | Source | Mass isotopomer distribution |
||
---|---|---|---|---|---|
Unlabeled standard | Labeled standard | Unlabeled sample | |||
Lactateb | m+0 | Exp. | 0.754 ± 0.001 | 0.003 ± 0.001 | 0.752 ± 0.005 |
Calc. | 0.757 | 0.000 | 0.757 | ||
m+1 | Exp. | 0.165 ± 0.000 | 0.004 ± 0.000 | 0.165 ± 0.002 | |
Calc. | 0.171 | 0.000 | 0.171 | ||
m+2 | Exp. | 0.071 ± 0.000 | 0.039 ± 0.000 | 0.068 ± 0.001 | |
Calc. | 0.072 | 0.029 | 0.072 | ||
m+3 | Exp. | 0.011 ± 0.000 | 0.955 ± 0.001 | 0.014 ± 0.002 | |
Calc. | 0.011 | 0.970 | 0.011 | ||
Acetatec | m+0 | Exp. | 0.960 ± 0.005 | 0.067 ± 0.009 | 0.958 ± 0.001 |
Calc. | 0.976 | 0.000 | 0.976 | ||
m+1 | Exp. | 0.029 ± 0.001 | 0.044 ± 0.006 | 0.031 ± 0.001 | |
Calc. | 0.022 | 0.012 | 0.022 | ||
m+2 | Exp. | 0.012 ± 0.000 | 0.889 ± 0.015 | 0.011 ± 0.000 | |
Calc. | 0.002 | 0.980 | 0.002 |
The data comprise experimental values (exp.) and theoretical mass isotopomer distributions (calc.) derived from natural isotopic enrichment in unlabeled substances (38) and a 99% 13C enrichment in the labeled compounds.
[M-57] fragment of TBDMS2-lactate.
[M-87] fragment of acetic acid (pentyl ester).