Table 1.
List of 21 significantly altered metabolites in both polarity modes.
| Modes | Lipids | Formula | Adducts | Molecular | Theoretical | Observed | △ PPM | RT | Fragment ions* |
|---|---|---|---|---|---|---|---|---|---|
| weight | M/Z | M/Z | |||||||
| Positive | Cer 42:1;2O | C42H83NO3 | [M + H—H2O]+ | 649.6373 | 632.634 | 632.6351 | 1.83 | 16.12 | 360.2163, 264.2697 |
| |Cer 18:1;2O/24:0 | |||||||||
| PC 32:1 | C40H78NO8P | [M + H]+ | 731.5465 | 732.5538 | 732.5563 | 3.51 | 11.45 | 496.3367, 476.3098, 184.0736 | |
| |PC 16:0_16:1 | |||||||||
| PC 32:2 | C40H76NO8P | [M + H]+ | 729.5309 | 730.5081 | 730.5388 | 0.96 | 10 | 494.3127, 476.3135, 184.0734 | |
| |PC 16:1_16:1 | |||||||||
| PC 34:0 | C42H84NO8P | [M + H]+ | 761.5934 | 762.6007 | 762.6029 | 2.88 | 14.82 | 524.3631, 478.3287, 184.0734 | |
| |PC 16:0_18:0 | |||||||||
| PC 36:1 | C44H86NO8P | [M+Na]+ | 787.6091 | 810.5983 | 810.5999 | 1.88 | 14.87 | 627.5384, 184.0728, 146.9832 | |
| |PC 18:0_18:1 | |||||||||
| PC 38:2 | C46H88NO8P | [M + H]+ | 813.6247 | 814.632 | 814.6325 | 0.6 | 14.97 | 184.0732 | |
| PC 38:4 | C46H84NO8P | [M+Na]+ | 809.5934 | 832.5827 | 832.5834 | 0.89 | 13.31 | 649.5166, 149.9810, 85.0963 | |
| PC 38:5 | C46H82NO8P | [M+Na]+ | 807.5778 | 830.567 | 830.568 | 1.17 | 11.87 | 647.5010, 146.9891 | |
| PC 40:4 | C48H88NO8P | [M + H]+ | 837.6248 | 838.632 | 838.6338 | 2.15 | 14.75 | 506.3605, 184.0736 | |
| |PC 18:0_22:4 | |||||||||
| PC 40:6 | C48H84NO8P | [M + H]+ | 833.5934 | 834.6007 | 834.6008 | 0.14 | 12.21 | 569.3429, 506.3605, 184.0734 | |
| |PC 18:0_22:6 | |||||||||
| PC O-32:1 | C40H80NO7P | [M + H]+ | 717.5672 | 718.5745 | 718.5753 | 1.11 | 14.33 | 535.5085, 184.0733 | |
| PC O-34:0 | C42H86NO7P | [M + H]+ | 747.6142 | 748.6215 | 748.6224 | 1.15 | 15.23 | 565.5554, 184.0773 | |
| PC O-34:1 | C42H84NO7P | [M + H]+ | 745.5985 | 746.60577 | 746.60699 | 1.63 | 14.54 | 563.5398, 184.0738 | |
| PC O-38:4 | C46H86NO7P | [M + H]+ | 795.6142 | 796.6215 | 796.6219 | 0.46 | 14.39 | 613.5367, 184.0734 | |
| PC O-38:5 | C46H84NO7P | [M + H]+ | 793.5985 | 794.6058 | 794.6065 | 0.86 | 13.18 | 611.5398, 184.0734 | |
| PE P-40:5 | C45H80NO7P | [M + H]+ | 777.5672 | 778.5745 | 778.5753 | 1.03 | 14.84 | 637.5552, 387.2884, 294.3155 | |
| |PE P-18:0_22:5 | |||||||||
| PE P-40:6 | C45H78NO7P | [M + H]+ | 775.5516 | 776.5589 | 776.559 | 0.15 | 14.58 | 635.5398, 385.2740, 294.3157 | |
| |PE P-18:0_22:6 | |||||||||
| SM 42:1;2O | C47H95N2O6P | [M + H]+ | 814.6927 | 815.7001 | 815.7022 | 2.62 | 15.82 | 184.0735 | |
| |SM 18:1;2O/24:0 | |||||||||
| SM 42:2;2O | C47H93N2O6P | [M + H]+ | 812.6771 | 813.6844 | 813.6867 | 2.85 | 15.44 | 184.0735 | |
| |SM 18:1;2O/24:1 | |||||||||
| Negative | PC 30:0| | C38H76NO8P | [M+CH3COO]- | 705.5308 | 764.5447 | 764.5433 | 1.77 | 11.25 | 690.5117, 434.2677, 253.3408, 227.2012 |
| PC 14:0_16:0 | |||||||||
| PE O-40:7| | C45H78NO7P | [M-H]- | 775.5516 | 774.5443 | 774.5436 | 0.94 | 14.59 | 464.3146, 327.2333 | |
| PE O-18:1_22:6 |