Table 3.
Metabolites significantly different between Rs and NRs taking lithium in the ketamine arm of the therapy
| Compound | RT (min) | Measured mass (Da) | Mass error (p.p.m.) | Molecular formula | MS/MS fragments | FC (%) in NRs | P value | CV (%) for QCs | |
|---|---|---|---|---|---|---|---|---|---|
| 1 | Phenyllactic acid¶, § | 13.58 | 166.0623 | −4.2 | C9H10O3 | 167.07, 149.06, 121.03, 95.05, 77.04 | 47.9 | 0.028 | 5.1 |
| 2 | N6,N6,N6-Trimethyl-L-lysine | 0.61 | 188.1509 | −10.1 | C9H20N2O2 | 189.16, 173.02, 130.09, 84.08 | −22.9 | JK | 19.7 |
| 3 | MG (16:0) | 27.67 | 330.2765 | −1.5 | C19H38O4 | 331.28,313.27, 257.24, 239.24, 123.11, 109.10, 95.08, 85.10, 83.08, 81.07, 71.09, 57.07 | 12.4 | JK | 12.1 |
| 4 | MG (16:0) | 28.38 | 330.2772 | 0.6 | C19H38O4 | 331.28,313.27, 257.24, 239.24, 123.11, 109.10, 95.08, 85.10, 71.09, 57.07 | 12.9 | JK | 7.9 |
| 5 | LPE (18:2) | 17.46 | 477.2854 | −0.2 | C23H44NO7P | 478.30, 337.27, 81.07 | −39.1 | JK | 8.1 |
| 6 | LPE (18:2) | 18.12 | 477.2852 | −0.7 | C23H44NO7P | 478.29, 338.28, 337.27, 306.28, 135.11, 95.08, 81.07, 62.06 | −46.1 | 0.029 | 3.2 |
| 7 | LPE (18:1) | 20.64 | 479.3006 | −1.2 | C23H46NO7P | 480.31, 340.30, 339.29, 308.29, 155.01, 62.06 | −19.8 | JK | 2.8 |
| 8 | LPE (22:6) | 18.13 | 525.2848 | −1.4 | C27H44NO7P | 526.28, 385.27, 93.10, 79.06, 62.06 | 25.2 | JK | 3.3 |
| 9 | LPC (16:1)§ | 16.94 | 493.3163 | −1.1 | C24H48NO7P | 494.32, 476.31, 184.07, 104.11, 86.10 | −39.8 | 0.031 | 6.5 |
| 10 | LPC (16:0) | 19.06 | 495.3331 | 1.2 | C24H50NO7P | 496.33, 184.07, 86.10 | −14.2 | JK | 7.6 |
| 11 | LPC (16:0) | 19.87 | 495.3337 | 2.4 | C24H50NO7P | 496.34, 184.07, 104.11, 86.10 | −6.3 | JK | 4.1 |
| 12 | LPC (18:2) | 17.63 | 519.3325 | 0.0 | C23H48NO7P | 520.34, 184.07, 86.10 | −16.8 | JK | 11.2 |
| 13 | LPC (18:2) | 18.29 | 519.3334 | 1.8 | C23H48NO7P | 520.34, 502.33, 184.07, 104.11, 86.10 | −19.8 | JK | 10.8 |
| 14 | LPC (20:3) | 19.77 | 545.3479 | −0.4 | C28H52NO7P | 546.35, 184.07, 104.11, 86.10 | −56.0 | JK | 16.7 |
| 15 | LPC (20:2) | 21.88 | 547.3622 | −2.9 | C28H54NO7P | 548.37, 184.07, 104.11, 86.10 | −22.3 | JK | 17.9 |
| 16 | LPC (22:6) | 17.75 | 567.3311 | −2.5 | C30H50NO7P | 568.34, 184.07, 86.10 | 36.0 | 0.042 | 13.8 |
| 17 | LPC (22:6) | 18.27 | 567.3320 | −0.9 | C30H50NO7P | 568.34, 184.07, 104.11, 86.10 | 33.1 | JK | 19.2 |
| 18 | Unknown§ | 7.35 | 162.1038 | – | C11H15O | 163.11, 135.08, 107.05 | 41.5 | 0.026 | 5.1 |
Note: FC, fold change; FC was calculated as follows: (Average [NRs] – Average [Rs])/Average [Rs] × 100); +/–-increase/decrease in NRs compared with Rs; Unknown, compound which MS/MS spectra was not interpretable or not informative.
Confirmed also by standard
Found in the comparison of Rs and NRs in combined subgroups (Li + VPA) in the same direction;
In MS/MS fragments the underlined number refers to the most abundant fragment observed.
MG, monoglyceride; LPE, lysophosphatidylethanolamine; LPC, lysophosphatidylcholine, these entities has been named with the number of carbon of the fatty acid attached to the backbone and the number of unsaturation, for example, LPC (16:1); JK, jack-knife analysis.
Li, lithium; NR, non-responders; R, responders; VPA, valproate.