From: FluxFix: automatic isotopologue normalization for metabolic tracer analysis
SRM Transistion | 864- > 357 | 865- > 358 | 866- > 359 | 867- > 360 | 868- > 361 | 869- > 362 | 870- > 363 |
---|---|---|---|---|---|---|---|
Label | 864_M0 | 864_M1 | 864_M2 | 864_M3 | 864_M4 | 864_M5 | 864_M6 |
Input: signal intensity values | |||||||
Prop_unlabeled_1 | 5.93E + 06 | 1.35E + 06 | 1.88E + 06 | 3.93E + 05 | 1.08E + 05 | 1.67E + 04 | 0.00E + 00 |
Prop_unlabeled_2 | 7.14E + 06 | 1.63E + 06 | 2.33E + 06 | 4.53E + 05 | 1.63E + 05 | 2.35E + 04 | 2.79E + 03 |
Prop_unlabeled_3 | 5.85E + 06 | 1.48E + 06 | 2.21E + 06 | 4.56E + 05 | 1.32E + 05 | 2.08E + 04 | 2.97E + 03 |
2H2-Prop_labeled_1 | 9.53E + 05 | 9.56E + 05 | 1.32E + 06 | 5.26E + 05 | 4.00E + 05 | 1.07E + 05 | 9.16E + 04 |
2H2-Prop_labeled_2 | 7.04E + 05 | 5.95E + 05 | 8.92E + 05 | 4.45E + 05 | 3.49E + 05 | 7.31E + 04 | 3.22E + 04 |
2H2-Prop_labeled_3 | 8.24E + 05 | 7.53E + 05 | 1.15E + 06 | 5.67E + 05 | 4.18E + 05 | 8.31E + 04 | 2.57E + 04 |
Output: % molar enrichment | |||||||
2H2-Prop_labeled_1 | 36.13 | 27.72 | 31.24 | 0.68 | 1.72 | 0.56 | 1.94 |
2H2-Prop_labeled_2 | 38.14 | 23.24 | 29.90 | 6.55 | 4.81 | −2.07 | −0.57 |
2H2-Prop_labeled_3 | 36.17 | 24.53 | 32.42 | 6.43 | 3.37 | −2.20 | −0.72 |