Component name | MS (m/z) | Observed RT (min) | Mass error (ppm) | Formula | Adducts | VIP | Trend | ||
---|---|---|---|---|---|---|---|---|---|
NC/HF | HF + LQ/HF | HF + HQ/HF | |||||||
SM(d18:0/24:1(15Z)) | 837.6820 | 10.45 | − 0.4 | C47H95N2O6P | M + H, M + Na | 1.4 | ↑ | ↑ | ↑ |
SM(d18:1/22:0) | 809.6501 | 10.08 | − 0.5 | C45H91N2O6P | M + H, M + Na | 2.5 | ↑ | ↑ | ↑ |
SM(d18:1/16:0) | 703.5745 | 8.94 | − 2.4 | C39H79N2O6P | M + H− H2O, M + H | 4.7 | ↑ | ↑ | ↓ |
PC(16:0/20:3(8Z,11Z,14Z)) | 784.5844 | 8.95 | − 0.8 | C44H82NO8P | M + H, M + Na | 4.0 | ↓ | ↑ | ↑ |
PC(16:0/22:5(7Z,10Z,13Z,16Z,19Z)) | 852.5746 | 8.77 | − 1.8 | C46H82NO8P | M + FA-H | 1.0 | ↑ | ↑ | ↓ |
PC(16:1(9Z)/20:4(8Z,11Z,14Z,17Z)) | 780.5532 | 8.49 | − 0.7 | C44H78NO8P | M + H, M + Na | 1.6 | ↑ | ↓ | ↑ |
PC(18:1(9Z)/18:1(9Z)) | 808.5833 | 8.78 | 0.8 | C44H84NO8P | M + Na | 2.7 | ↑ | ↑ | ↑ |
PC(18:0/18:1(9Z)) | 788.6158 | 9.52 | − 0.7 | C44H86NO8P | M + H | 3.0 | ↓ | ↓ | ↓ |
PC(18:0/16:0) | 762.6001 | 9.54 | − 0.8 | C42H84NO8P | M + H | 1.0 | ↓ | ↓ | ↓ |
PC(18:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z)) | 834.5998 | 8.98 | − 1.1 | C48H84NO8P | M + H, M + Na | 5.4 | ↑ | ↓ | ↓ |
PC(18:0/20:3(5Z,8Z,11Z)) | 812.6154 | 9.27 | − 1.2 | C46H86NO8P | M + H | 3.1 | ↓ | ↓ | ↓ |
PC(18:0/18:2(9Z,12Z)) | 786.6002 | 9.22 | − 0.7 | C44H84NO8P | M + H | 4.8 | ↓ | ↓ | ↓ |
PC(18:2(9Z,12Z)/20:4(5Z,8Z,11Z,14Z)) | 828.5507 | 8.52 | − 0.9 | C46H80NO8P | M + H, M + Na | 3.5 | ↑ | ↓ | ↑ |
PC(18:0/P-16:0) | 768.5872 | 9.40 | − 0.7 | C42H84NO7P | M + H, M + Na | 3.2 | ↓ | ↓ | ↓ |
PC(18:0/18:1(11Z)) | 832.6059 | 9.53 | − 1.9 | C44H86NO8P | M + FA-H | 1.6 | ↓ | ↓ | ↓ |
PC(20:3(5Z,8Z,11Z)/16:0) | 806.5687 | 8.67 | 2.1 | C44H82NO8P | M + Na | 4.9 | ↑ | ↓ | ↓ |
PC(20:2(11Z,14Z)/18:0) | 836.6147 | 9.09 | 0.9 | C46H88NO8P | M + Na | 1.1 | ↑ | ↑ | ↓ |
PC(20:4(5Z,8Z,11Z,14Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)) | 854.5694 | 8.33 | 0.0 | C50H80NO8P | M + H, M + Na | 1.1 | ↑ | ↓ | ↓ |
PE(18:0/18:2(9Z,12Z)) | 742.5386 | 8.90 | − 0.8 | C41H78NO8P | M-H | 1.0 | ↓ | ↓ | ↓ |
PE(22:5(4Z,7Z,10Z,13Z,16Z)/18:1(11Z)) | 790.5392 | 8.68 | 0.0 | C45H78NO8P | M-H | 1.1 | ↑ | ↓ | ↓ |
LysoPC(16:0) | 496.3397 | 6.03 | − 0.2 | C24H50NO7P | M + H-H2O, M + H, 2M + H | 6.8 | ↑ | ↑ | ↓ |
LysoPC(15:0) | 482.3238 | 5.79 | − 0.7 | C23H48NO7P | M + H-H2O, M + H, M + Na | 2.2 | ↑ | ↑ | ↓ |
LysoPC(14:0) | 468.3081 | 5.32 | − 0.4 | C22H46NO7P | M + H-H2O, M + H, M + Na | 2.2 | ↑ | ↑ | ↑ |
LysoPC(16:1(9Z)) | 494.3238 | 5.52 | − 0.7 | C24H48NO7P | M + H-H2O, M + H, M + Na | 3.8 | ↑ | ↑ | ↑ |
LysoPC(20:0) | 552.4022 | 7.51 | 1.0 | C28H58NO7P | M + H-H2O, M + H, M + Na | 1.4 | ↑ | ↑ | ↑ |
LysoPC(20:2(11Z,14Z)) | 548.3707 | 6.51 | − 0.6 | C28H54NO7P | M + H, M + Na | 2.4 | ↑ | ↑ | ↑ |
LysoPC(20:1(11Z)) | 550.3861 | 6.99 | − 1.1 | C28H56NO7P | M + H | 2.7 | ↑ | ↑ | ↑ |
LysoPC(20:4(8Z,11Z,14Z,17Z)) | 544.3394 | 5.55 | − 0.7 | C28H50NO7P | M + H-H2O, M + H, M + Na | 5.1 | ↑ | ↓ | ↑ |
LysoPC(22:5(4Z,7Z,10Z,13Z,16Z)) | 570.3529 | 6.07 | − 4.4 | C30H52NO7P | M + H, M + Na | 1.8 | ↓ | ↓ | ↑ |
LysoPC(20:3(5Z,8Z,11Z)) | 546.3551 | 6.04 | − 0.5 | C28H52NO7P | M + H-H2O, M + H | 5.6 | ↓ | ↑ | ↑ |
LysoPC(22:5(7Z,10Z,13Z,16Z,19Z)) | 570.3548 | 5.85 | − 1.1 | C30H52NO7P | M + H-H2O, M + H, M + Na | 2.0 | ↑ | ↑ | ↑ |
LysoPC(22:6(4Z,7Z,10Z,13Z,16Z,19Z)) | 568.3394 | 5.60 | − 0.7 | C30H50NO7P | M + H-H2O, M + H, M + Na | 6.6 | ↑ | ↓ | ↓ |
LysoPC(P-18:0) | 508.3756 | 6.68 | − 1.1 | C26H54NO6P | M + H, M + Na | 3.7 | ↑ | ↑ | ↓ |
LysoPC(18:2(9Z,12Z)) | 564.3301 | 5.78 | − 1.2 | C26H50NO7P | M + FA-H | 5.5 | ↓ | ↓ | ↓ |
LysoPC(P-16:0) | 524.3352 | 6.49 | − 1.2 | C24H50NO6P | M + FA-H | 1.0 | ↑ | ↑ | ↓ |
Docosahexaenoic acid | 327.2326 | 6.62 | − 1.0 | C22H32O2 | M-H | 6.6 | ↑ | ↓ | ↓ |
Myristic acid | 227.2011 | 6.57 | − 2.3 | C14H28O2 | M-H | 1.3 | ↑ | ↑ | ↑ |
Linoleic acid | 279.2328 | 6.86 | − 0.6 | C18H32O2 | M-H | 7.0 | ↑ | ↑ | ↑ |
Palmitic acid | 255.2326 | 7.27 | − 1.3 | C16H32O2 | M-H | 5.4 | ↑ | ↑ | ↑ |
Arachidonic acid | 303.2328 | 6.75 | − 1.1 | C20H32O2 | M-H2O-H, M-H | 8.1 | ↑ | ↑ | ↑ |
Taurocholic acid | 496.2733 | 3.31 | − 1.0 | C26H45NO7S | M-H2O-H | 2.9 | ↑ | ↓ | ↓ |
Gamma-linolenic acid | 277.2169 | 6.40 | − 1.4 | C18H30O2 | M-H | 3.1 | ↑ | ↑ | ↑ |
Eicosapentaenoic acid | 303.2315 | 5.28 | − 1.1 | C20H30O2 | M + H-H2O, M + H, M + Na, 2M + H | 5.8 | ↑ | ↑ | ↑ |
Sphingosine | 282.2788 | 4.61 | − 1.2 | C18H37NO2 | M + H-H2O, M + H | 1.1 | ↓ | ↓ | ↓ |
Vitamin A | 287.2366 | 7.31 | − 1.1 | C20H30O | M + H | 1.1 | ↑ | ↑ | ↑ |