No. | m/z | t(R) | Identification | Quasi-molecular ion | Formula | VIP | FC1 | FC2 | AUC | Trend |
---|---|---|---|---|---|---|---|---|---|---|
1 | 468.3080 | 2.1 | LPC (14:0) | [M + H]+ | C22H46NO7P | 1.12 | 0.46** | 1.24 | 0.86 | ↓ |
2 | 564.3279 | 2.8 | LPC (18:2) | [M + HCOO]− | C26H50NO7P | 1.41 | 0.42** | 1.24 | 0.89 | ↓ |
3 | 720.5894 | 11.6 | PC (O-16:0/16:0) | [M + H]+ | C40H82NO7P | 1.72 | 1.65* | 1.09 | 0.83 | ↑ |
4 | 746.5686 | 10.7 | PC (16:0/17:1) | [M + H]+ | C41H80NO8P | 1.46 | 2.59* | 0.9 | 0.90 | ↑ |
5 | 768.5885 | 10.8 | PC (O-16:0/20:4) | [M + H]+ | C44H82NO7P | 3.55 | 0.74* | 1.2 | 0.76 | ↑ |
6 | 774.6002 | 11.5 | PC (17:0/18:1) | [M + H]+ | C43H84NO8P | 2.06 | 1.88* | 0.89 | 0.83 | ↑ |
7 | 782.5670 | 11 | PC (18:1/16:0) | [M + Na]+ | C42H82NO8P | 1.54 | 1.70** | 0.76 | 0.88 | ↑ |
8 | 794.5983 | 9.9 | PC (P-18:0/20:4) | [M + H]+ | C46H84NO7P | 1.46 | 9.72** | 0.13## | 0.94 | ↑ |
9 | 808.5820 | 11.4 | PC (18:2/18:0) | [M + Na]+ | C44H84NO8P | 1.84 | 2.01** | 0.60## | 1.00 | ↑ |
10 | 810.5980 | 12 | PC (18:1/18:0) | [M + Na]+ | C44H86NO8P | 1.62 | 1.90** | 0.67## | 0.96 | ↑ |
11 | 822.6365 | 11.7 | PC(P-20:0/20:4) | [M + H]+ | C48H88NO7P | 1.26 | 1.51* | 0.89 | 0.79 | ↑ |
12 | 830.5652 | 10.3 | PC (18:1/20:4) | [M + Na]+ | C46H82NO8P | 1.02 | 3.88** | 0.24## | 1.00 | ↑ |
13 | 832.5827 | 11.2 | PC (20:4/18:0) | [M + Na]+ | C46H84NO8P | 1.43 | 3.06** | 0.45## | 1.00 | ↑ |
14 | 834.5987 | 11.6 | PC (20:3/18:0) | [M + Na]+ | C46H86NO8P | 1.22 | 1.60** | 0.55## | 0.98 | ↑ |
15 | 716.5232 | 10.6 | PE (16:0/18:2) | [M + H]+ | C39H74NO8P | 1.43 | 2.43* | 0.79 | 0.80 | ↑ |
16 | 740.5218 | 10.5 | PE (16:0/20:4) | [M + H]+ | C41H74NO8P | 1.15 | 2.05* | 0.57# | 0.89 | ↑ |
17 | 703.5732 | 10.1 | SM (d18:1/16:0) | [M + H]+ | C39H79N2O6P | 8.01 | 0.74** | 1.60## | 0.91 | ↓ |
18 | 785.6531 | 12.3 | SM (d18:2/22:0) | [M + H]+ | C45H89N2O6P | 4.8 | 0.59** | 1.14 | 0.85 | ↓ |
19 | 787.6683 | 13.2 | SM (d18:1/22:0) | [M + H]+ | C45H91N2O6P | 7.28 | 0.50** | 1.27 | 0.89 | ↓ |
20 | 801.6831 | 13.9 | SM (d18:1/23:0) | [M + H]+ | C46H93N2O6P | 3.56 | 0.52* | 1.08 | 0.81 | ↓ |
21 | 803.6235 | 9.4 | SM (d38:1) | [M + HCOO]− | C43H87N2O6P | 1.5 | 0.22** | 0.9 | 0.91 | ↓ |
22 | 815.7001 | 14.5 | SM (d18:1/24:0) | [M + H]+ | C47H95N2O6P | 6.84 | 0.44* | 1.2 | 0.85 | ↓ |
23 | 817.6405 | 9.8 | SM (d39:1) | [M + HCOO]− | C44H89N2O6P | 1.4 | 0.10** | 2.12 | 0.88 | ↓ |
24 | 827.6993 | 13.5 | SM (d18:2/25:0) | [M + H]+ | C48H95N2O6P | 1.46 | 2.52* | 0.82 | 0.81 | ↑ |
25 | 833.6502 | 12.2 | SM (d18:2/24:1) | [M + Na]+ | C47H91N2O6P | 1.7 | 2.49** | 0.69## | 1.00 | ↑ |
26 | 843.6582 | 9.9 | SM (d41:2) | [M + HCOO]− | C46H91N2O6P | 1.38 | 0.22** | 1.1 | 0.96 | ↓ |
27 | 591.4952 | 13.1 | DG (16:0/18:3) | [M + H]+ | C37H66O5 | 1.71 | 1.84** | 0.59## | 0.98 | ↑ |
28 | 607.5652 | 15.5 | DG (18:0/18:0) | [M + H–H2O]+ | C39H76O5 | 3.04 | 2.00** | 0.46## | 0.99 | ↑ |
29 | 619.5262 | 14.3 | DG (16:0/18:0) | [M + Na]+ | C37H72O5 | 2.93 | 2.16** | 0.61## | 1.00 | ↑ |
30 | 643.5260 | 13.3 | DG (18:1/18:1) | [M + Na]+ | C39H72O5 | 1.24 | 6.03** | 0.56 | 0.95 | ↑ |
31 | 834.7539 | 18.4 | TG (15:0/16:0/18:2) | [M + NH4]+ | C52H96O6 | 1.17 | 2.22* | 0.66 | 0.83 | ↑ |
32 | 836.7693 | 18.6 | TG (15:0/16:0/18:1) | [M + NH4]+ | C52H98O6 | 1.28 | 4.15** | 0.54 | 0.94 | ↑ |
33 | 853.7252 | 18.5 | TG (16:0/18:2/18:3) | [M + H]+ | C55H96O6 | 1.19 | 2.31** | 0.52# | 0.93 | ↑ |
34 | 855.7433 | 18.3 | TG (16:0/18:1/18:3) | [M + H]+ | C55H98O6 | 1.79 | 2.51** | 0.54# | 0.96 | ↑ |
35 | 857.7583 | 18.5 | TG (16:0/18:1/18:2) | [M + H]+ | C55H100O6 | 1.06 | 3.98** | 0.54# | 1.00 | ↑ |
36 | 862.7854 | 18.6 | TG (16:0/17:1/18:1) | [M + NH4]+ | C54H100O6 | 1.93 | 2.98* | 0.88 | 0.83 | ↑ |
37 | 864.8012 | 18.9 | TG (16:0/17:0/18:1) | [M + NH4]+ | C54H102O6 | 1.83 | 3.37* | 0.82 | 0.79 | ↑ |
38 | 881.7579 | 18.7 | TG (16:0/18:1/20:4) | [M + H]+ | C57H100O6 | 2.31 | 2.38** | 0.61## | 1.00 | ↑ |
39 | 883.7702 | 19 | TG (16:0/18:1/20:3) | [M + H]+ | C57H102O6 | 1.7 | 4.39** | 0.50# | 0.93 | ↑ |
40 | 888.8010 | 18.6 | TG (17:0/18:1/18:2) | [M + NH4]+ | C56H102O6 | 2.04 | 2.75* | 0.77 | 0.81 | ↑ |
41 | 892.7380 | 17.7 | TG (14:0/18:2/22:6) | [M + NH4]+ | C57H94O6 | 1.23 | 0.33* | 0.68 | 0.19 | ↓ |
42 | 892.8325 | 19.1 | TG (17:0/18:0/18:1) | [M + NH4]+ | C56H106O6 | 1.27 | 14.99* | 0.39 | 0.93 | ↑ |
43 | 894.7542 | 17.7 | TG (18:2/18:2/18:3) | [M + NH4]+ | C57H96O6 | 4.35 | 0.37* | 0.99 | 0.13 | ↓ |
44 | 907.7727 | 18.8 | TG (18:1/18:1/20:4) | [M + H]+ | C59H102O6 | 1.52 | 2.42** | 0.56## | 0.96 | ↑ |
45 | 909.7853 | 19 | TG (18:0/18:1/18:1) | [M + Na]+ | C57H106O6 | 1.39 | 3.89** | 0.62 | 0.95 | ↑ |
46 | 918.7540 | 17.6 | TG (18:2/18:2/20:5) | [M + NH4]+ | C59H96O6 | 1.54 | 0.37* | 0.88 | 0.16 | ↓ |
47 | 928.8294 | 18.8 | TG (18:0/18:1/20:3) | [M + NH4]+ | C59H106O6 | 1.61 | 1.75* | 0.73 | 0.78 | ↑ |
48 | 932.8636 | 19.2 | TG (16:0/18:1/22:1) | [M + NH4]+ | C59H110O6 | 1.09 | 2.12* | 0.52 | 0.81 | ↑ |
49 | 952.8320 | 18.7 | TG (18:1/18:1/22:4) | [M + NH4]+ | C61H106O6 | 1.12 | 3.54** | 0.46 | 0.90 | ↑ |
50 | 630.6178 | 14.6 | Cer (d18:1/24:1) | [M + H–H2O]+ | C42H81NO3 | 1.03 | 2.29* | 0.78 | 0.74 | ↑ |
51 | 369.3521 | 10.3 | Cholesterol | [M + H–H2O]+ | C27H46O | 1.21 | 2.18* | 0.45## | 0.99 | ↑ |