Table 2.
NO. | Abbreviation | Molecular formula | m/z | Rt (min) | Matched Mass | ppm | VIP | p value | Fold |
---|---|---|---|---|---|---|---|---|---|
1 | N-Methylnicotinium | C11H17N2 | 221.1033 | 2.84 | 221.1031 | 0.9 | 185 | 0.0065 | 0.40 |
2 | Buccoxime | C10H17NO | 150.1277 | 27.27 | 150.1283 | -4.0 | 3.18 | 0.0163 | 1.16 |
3 | PC (16:1/22:6) | C46H78NO8P | 804.5507 | 20.6 | 804.5538 | -3.9 | 1.32 | 0.0039 | 0.25 |
4 | PC (14:0/22:4) | C44H80NO8P | 782.5697 | 27.34 | 782.5694 | 0.4 | 9.91 | 0.0039 | 0.58 |
5 | PC (14:0/20:3) | C42H78NO8P | 756.5526 | 27.35 | 756.5538 | -1.6 | 1.93 | 0.0039 | 2.29 |
6 | (E)-Piperolein A | C19H25NO3 | 104.0537 | 1.17 | 104.0539 | 1.9 | 1.09 | 0.0039 | 0.42 |
7 | Cysteinyl-Histidine | C9H14N4O3S | 279.0541 | 1.27 | 279.0533 | 2.9 | 1.08 | 0.0062 | 0.27 |
8 | 9H-Carbazole-3-carboxaldehyde | C13H9NO | 214.0665 | 1.17 | 214.0668 | 1.4 | 1.18 | 0.0039 | 6.46 |
9 | cis-Aconitic acid | C6H6O6 | 173.01 | 2.96 | 173.0092 | 4.6 | 2.03 | 0.0039 | 29.92 |
10 | PC (14:0/16:0) | C38H76NO8P | 750.5287 | 27.6 | 750.5291 | 0.5 | 2.07 | 0.0163 | 2.37 |
11 | PC (18:1/22:6) | C48H82NO8P | 830.5711 | 27.6 | 830.5705 | 0.7 | 2.67 | 0.0039 | 3.42 |
12 | PA (20:4/2:0) | C25H43O7P | 531.2737 | 12.23 | 531.2728 | 1.7 | 1.01 | 0.0065 | 13.54 |
13 | LysoPE (0:0/20:5) | C25H42NO7P | 544.2682 | 9.67 | 544.2681 | 0.2 | 1.21 | 0.0039 | 0.04 |
14 | LysoPE (0:0/20:0) | C25H52NO7P | 508.3433 | 16.99 | 508.3409 | 4.7 | 3.61 | 0.0163 | 0.54 |
15 | PE (20:4/22:6) | C47H74NO8P | 810.5102 | 5028 | 810.5079 | 2.8 | 9.65 | 0.0039 | 7.54 |
16 | LysoPC (0:0/18:0) | C26H54NO7P | 568.3604 | 16.99 | 568.362 | 2.8 | 3.55 | 0.0104 | 0.53 |
17 | PE (16:0/0:0) | C21H44NO7P | 452.2841 | 12.5 | 452.2783 | 12.8 | 2.87 | 0.0039 | 0.28 |
18 | PE (0:0/18:0) | C23H48NO7P | 480.3138 | 16.84 | 480.3096 | 8.8 | 4.13 | 0.0039 | 0.44 |
19 | PE (0:0/20:4) | C25H44NO7P | 500.2813 | 10.19 | 500.2783 | 6.0 | 3.47 | 0.0250 | 0.54 |
20 | PE (0:0/18:1) | C23H46NO7P | 524.3009 | 17.03 | 524. 2994 | 2.9 | 2.88 | 0.0039 | 0.31 |
21 | 10-hydroxy-8E-Decene-4,6-diynoic acid | C10H10O3 | 177.059 | 1.2 | 177.0557 | 18.6 | 1.61 | 0.0039 | 0.07 |
22 | PI (13:0/18:1) | C40H75O13P | 793.4846 | 27.6 | 793.4873 | 3.4 | 2.04 | 0.0039 | 3.30 |
23 | PI (15:0/20:3) | C44H79O13P | 845.5125 | 27.6 | 845.5186 | 7.2 | 1.89 | 0.0039 | 16.80 |
24 | PG (20:4/0:0) | C26H45O9P | 531.2737 | 12.23 | 531.2729 | 1.5 | 1.01 | 0.0065 | 13.54 |
25 | PS (O-20:0/12:0) | C38H76NO9P | 766.5232 | 5.36 | 766.524 | 1.0 | 9.08 | 0.0104 | 3.44 |
26 | PI (14:1/19:1) | C42H77O13P | 819.4969 | 27.6 | 819.5029 | 7.3 | 1.76 | 0.0039 | 2.34 |
27 | TG (22:4/24:0/O-18:0) | C67H124O5 | 335.3083 | 27.17 | 335.3077 | 1.8 | 1.30 | 0.0039 | 10.58 |
28 | PC (12:0/22:2) | C42H80NO8P | 758.5695 | 20.43 | 758.5694 | 0.13 | 9.85 | 0.0039 | 0.57 |
LysoPC, lysophosphatidylcholines; LysoPE, lysophosphatidylethanolamine; PA, phosphatidic acids; PC, phosphatidylcholines; PE, phosphatidylethanolamines; PG, phosphoglycerols; PI, phosphatidylinositols; PS, phosphatidylserines; TG, triglyceride.