Component name | MS (m/z) | Observed RT (min) | Mass error (ppm) | Formula | Adducts | VIP | Trend | ||
---|---|---|---|---|---|---|---|---|---|
NC/HF | HF + LQ/HF | HF + HQ/HF | |||||||
PC(20:4(5Z,8Z,11Z,14Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)) | 854.5679 | 8.37 | − 1.8 | C50H80NO8P | M + H, M + Na | 2.3 | ↑ | ↓ | ↓ |
PC(22:6(4Z,7Z,10Z,13Z,16Z,19Z)/16:1(9Z)) | 804.5511 | 8.41 | − 3.4 | C46H78NO8P | M + H, M + Na | 3.2 | ↑ | ↑ | ↓ |
PC(20:5(5Z,8Z,11Z,14Z,17Z)/20:3(8Z,11Z,14Z)) | 830.5677 | 8.46 | − 2.1 | C48H80NO8P | M + H, M + Na | 5.1 | ↑ | ↓ | ↓ |
PC(18:2(9Z,12Z)/16:0) | 780.5509 | 8.94 | − 0.6 | C42H80NO8P | M + Na | 1.5 | ↓ | ↓ | ↓ |
PC(16:0/18:1(9Z)) | 760.5842 | 9.20 | − 1.1 | C42H82NO8P | M + H | 5.5 | ↓ | ↓ | ↓ |
Adenosine | 268.1038 | 0.80 | − 0.9 | C10H13N5O4 | M + H | 1.0 | ↑ | ↓ | ↓ |
LysoPC(20:2(11Z,14Z)) | 548.3706 | 6.51 | − 0.9 | C28H54NO7P | M + H, M + Na | 2.1 | ↑ | ↑ | ↑ |
LysoPC(15:0) | 482.3241 | 7.02 | − 0.1 | C23H48NO7P | M + H, M + Na, 2M + H, 2M + Na | 3.6 | ↓ | ↓ | ↑ |
SM(d18:1/24:1(15Z)) | 813.6857 | 10.05 | 1.6 | C47H93N2O6P | M + H, M + Na | 2.4 | ↓ | ↓ | ↓ |
Pantothenic acid | 220.1178 | 1.67 | − 0.8 | C9H17NO5 | M + H, M + Na | 1.2 | ↑ | ↑ | ↑ |
Pyroglutamic acid | 130.0498 | 1.15 | − 0.6 | C5H7NO3 | M + H | 1.1 | ↑ | ↓ | ↓ |
Pyrroline hydroxycarboxylic acid | 130.0499 | 0.69 | − 0.1 | C5H7NO3 | M + H | 1.5 | ↑ | ↓ | ↓ |
Docosahexaenoic acid | 329.2462 | 6.64 | − 4.1 | C22H32O2 | M + H, M + NH4, M + Na | 1.0 | ↓ | ↓ | ↓ |
Dipalmitoylphosphatidylcholine | 734.5686 | 9.22 | − 1.2 | C40H80NO8P | M + H | 2.3 | ↑ | ↓ | ↓ |
Glutathione | 308.0906 | 0.77 | − 1.5 | C10H17N3O6S | M + H | 8.8 | ↑ | ↑ | ↑ |
Oxidized glutathione | 307.0833 | 0.69 | 0.0 | C20H32N6O12S2 | M + H, M + 2H | 4.6 | ↑ | ↓ | ↓ |
Dioleoylphosphatidylcholine | 786.5996 | 9.25 | − 1.5 | C44H84NO8P | M + H | 6.0 | ↓ | ↓ | ↓ |
FAD | 786.1630 | 1.70 | − 1.8 | C27H33N9O15P2 | M + H | 1.1 | ↑ | ↑ | ↓ |
Niacinamide | 123.0553 | 0.67 | 0.1 | C6H6N2O | M + H | 1.2 | ↑ | ↓ | ↓ |
Pantetheine 4′-phosphate | 359.1033 | 1.66 | − 0.9 | C11H23N2O7PS | M + H, M + Na, 2M + H, 2M + Na | 2.7 | ↑ | ↑ | ↑ |
Inosine | 267.0734 | 1.54 | − 0.5 | C10H12N4O5 | M-H | 3.9 | ↑ | ↓ | ↓ |
Glycerol 3-phosphate | 171.0063 | 0.61 | − 0.6 | C3H9O6P | M-H | 1.3 | ↑ | ↑ | ↑ |