Table 4.
The list of metabolites that can be quantitatively determined by the developed ion pair LC-MS/MS method.
| Metabolite Name | MS/MS transition |
Retention Time (min)a |
Curve Range (μM)b |
Rc |
|---|---|---|---|---|
| Carbohydrate derivatives | ||||
| 2-Phosphoglyceric acid | 185.1 > 78.9 | 1.46±0.02 | 0.01-10 | 0.997 |
| ADP-glucose | 590.0 > 428.1 | 1.02±0.05 | 0.05-1 | 0.989 |
| Deoxyribose 5-phosphate | 213.0 > 78.9 | 0.96±0.01 | 0.01-1 | 0.994 |
| D-Erythrose 4-phosphate | 199.0 > 96.9 | 0.86±0.01 | 0.01-1 | 0.993 |
| D-Glyceraldehyde 3-phosphate | 169.0 > 151.0 | 0.91±0.01 | 0.05-2 | 0.981 |
| D-Ribose 5-phosphate | 213.0 > 78.9 | 0.87±0.01 | 0.01-1 | 0.994 |
| D-Sedoheptulose 7-phosphate | 289.0 > 97.0 | 0.84±0.01 | 0.01-1 | 0.994 |
| Fructose 1,6-bisphosphate | 339.0 > 97.0 | 2.67±0.06 | 0.02-0.5 | 0.993 |
| Fructose 6-phosphate | 258.9 > 96.9 | 0.85±0.01 | 0.01-1 | 0.994 |
| Gluconic acid | 195.1 >129.0 | 0.67±0.01 | 0.01-1 | 0.995 |
| Glucose 1-phosphate | 259.0 > 241.0 | 0.85±0.01 | 0.01-1 | 0.995 |
| Glucose 6-phosphate | 259.0 > 96.7 | 0.84±0.01 | 0.01-1 | 0.995 |
| Glucuronic acid | 193.0 > 113.0 | 0.66±0.01 | 0.01-2 | 0.989 |
| N-Acetyl-glucosamine 1-phosphate | 300.0 > 79.0 | 0.91±0.01 | 0.01-1 | 0.995 |
| Sucrose | 341.1 > 178.9 | 0.60±0.00 | 0.01-0.5 | 0.990 |
| UDP-glucose | 565.1 > 323.0 | 0.84±0.01 | 0.01-2 | 0.998 |
| Carboxylic acids and derivatives | ||||
| 1-Methylhistidine | 170.1 > 124.1 | 1.50±0.01 | 0.05-5 | 0.985 |
| Argininosuccinic acid | 291.1 > 70.1 | 0.71±0.01 | 0.05-0.5 | 0.951 |
| Asymmetric dimethylarginine | 203.2 > 70.2 | 1.09±0.01 | 0.01-2 | 0.995 |
| N-Acetylputrescine | 131.2 > 114.1 | 0.97±0.05 | 0.2-2 | 0.985 |
| CoA derivatives | ||||
| 3-Hydroxy-3-methylglutaryl-CoA | 912.1 > 405.1 | 10.02±0.06 | 0.01-10 | 0.992 |
| 3-Hydroxybutyryl-CoA | 854.3 > 347.2 | 10.48±0.07 | 0.01-5 | 0.992 |
| Acetyl-CoA | 810.1 > 303.2 | 11.08±0.07 | 0.02-10 | 0.970 |
| Coenzyme A | 768.3 > 261.2 | 8.71±0.10 | 0.1-1 | 0.988 |
| Dephospho-CoA | 686.5 > 339.1 | 4.72±0.09 | 0.1-10 | 0.996 |
| Propionyl-CoA | 824.3 > 317.2 | 13.17±0.09 | 0.05-5 | 0.994 |
| Succinyl-CoA | 866.2 > 408.2 | 9.52±0.06 | 0.01-10 | 0.998 |
| Fatty acyls | ||||
| 2-keto-D-gluconic acid | 193.0 > 103.0 | 0.68±0.00 | 0.01-1 | 0.996 |
| Carnitine | 162.3 > 103.0 | 0.81±0.01 | 0.01-1 | 0.987 |
| Hydroxyisocaproic acid | 131.2 > 85.0 | 2.15±0.02 | 0.01-10 | 0.996 |
| L-2-Hydroxyglutaric acid | 147.0 > 128.9 | 0.93±0.01 | 0.01-1 | 0.995 |
| L-Acetylcarnitine | 204.1 > 85.0 | 1.71±0.02 | 0.01-10 | 0.994 |
| L-Malic acid | 132.9 > 114.9 | 0.91±0.01 | 0.01-2 | 0.991 |
| Miscellaneous Metabolites | ||||
| 1-Methylnicotinamide | 137.1 > 94.0 | 0.76±0.01 | 0.01-1 | 0.994 |
| 7-Methylguanosine | 298.1 > 166.1 | 0.82±0.01 | 0.01-0.5 | 0.989 |
| Adenosine | 268.2 >136.1 | 0.93±0.11 | 0.2-10 | 0.991 |
| Choline | 104.1 > 60.1 | 0.87±0.06 | 0.2-1 | 0.991 |
| Oxoglutaric acid | 144.9 > 101.0 | 1.01±0.08 | 0.1-10 | 0.991 |
| Phosphorylcholine | 184.2 > 125.0 | 0.97±0.01 | 0.02-2 | 0.980 |
| S-Adenosylmethionine | 399.2 > 250.0 | 0.87±0.02 | 0.02-2 | 0.986 |
| Shikimic acid | 173.0 > 93.0 | 0.69±0.01 | 0.05-2 | 0.991 |
| Thiamine | 265.2 > 122.1 | 3.18±0.04 | 0.01-2 | 0.992 |
| Thiamine pyrophosphate | 425.2 > 122.1 | 4.39±0.07 | 0.05-1 | 0.991 |
| Nucleotides | ||||
| Adenosine diphosphate ribose | 558.1 > 346.1 | 1.03±0.02 | 0.01-10 | 0.997 |
| Adenosine phosphosulfate | 426.0 > 346.0 | 1.13±0.02 | 0.01-2 | 0.997 |
| ADP | 428.2 > 136.0 | 1.92±0.54 | 0.1-5 | 0.989 |
| AMP | 348.1 > 136.1 | 1.20±0.02 | 0.02-1 | 0.990 |
| ATP | 506.0 > 272.9 | 3.69±0.07 | 0.05-1 | 0.993 |
| CDP | 402.0 > 158.8 | 1.53±0.03 | 0.01-5 | 0.996 |
| CTP | 482.0 > 384.1 | 2.79±0.06 | 0.02-0.5 | 0.992 |
| dAMP | 332.2 > 136.0 | 1.87±0.02 | 0.02-2 | 0.993 |
| dATP | 490.0 > 392.1 | 4.68±0.08 | 0.01-1 | 0.993 |
| dCDP | 386.1 > 159.0 | 1.902±0.04 | 0.01-10 | 0.996 |
| dCTP | 466.0 > 368.0 | 3.24±0.06 | 0.01-2 | 0.995 |
| dGDP | 428.2 > 152.1 | 2.46±0.11 | 0.05-10 | 0.987 |
| dGMP | 348.2 > 152.1 | 1.37±0.03 | 0.1-2 | 0.981 |
| dGTP | 506.0 > 257.0 | 3.80±0.07 | 0.05-0.5 | 0.990 |
| dTDP | 401.0 > 158.8 | 2.60±0.05 | 0.01-10 | 0.997 |
| dTMP | 321.1 > 195.0 | 1.60±0.03 | 0.01-2 | 0.996 |
| dTTP | 480.9 > 383.0 | 3.867±0.07 | 0.01-2 | 0.994 |
| dUMP | 307.0 > 195.0 | 1.15±0.02 | 0.01-2 | 0.997 |
| FAD | 784.1 > 437.0 | 8.69±0.08 | 0.01-10 | 0.995 |
| Flavin Mononucleotide | 457.2 > 439.1 | 10.38±0.14 | 0.2-10 | 0.996 |
| GDP | 442.0 > 344.0 | 1.67±0.04 | 0.02-10 | 0.997 |
| GMP | 364.2 > 152.0 | 1.02±0.02 | 0.02-0.2 | 0.988 |
| GTP | 522.0 > 424.2 | 2.99±0.07 | 0.1-5 | 0.990 |
| NAD± | 664.2 > 136.1 | 0.85±0.01 | 0.01-0.5 | 0.991 |
| NADP± | 744.0 > 604.1 | 2.24±0.05 | 0.02-10 | 0.992 |
| UDP | 403.1 > 158.8 | 1.51±0.03 | 0.01-10 | 0.997 |
| Uridine diphosphate-N- acetylglucosamine |
606.1 > 385.0 | 0.88±0.01 | 0.01-10 | 0.997 |
| UTP | 483.0 > 385.0 | 2.77±0.07 | 0.02-1 | 0.994 |
a
Shown as the mean ± standard deviation from 4 independent calibration curves.
b
Calibration curves were prepared by spiking the standards into Mobile phase A (consisting of 100 mM HFIP and 8.6 mM TEA in water, pH = 8.3).
c
Shown as the mean from 4 independent calibration curves.