TABLE 1.
RT (min) | Ion mode | Metabolites | VIP | P-value | adj.P-value | log2(FC) |
0.71 | pos | Glycerophosphocholine | 28.29 | 0.00 | 0.00 | 2.97 |
11.26 | pos | PC(O-18:1(11Z)/0:0) | 24.12 | 0.01 | 0.01 | 6.63 |
8.73 | pos | PC(18:3(9Z,12Z,15Z)/0:0) | 23.66 | 0.00 | 0.00 | 1.13 |
0.68 | pos | Pyro-L-glutaminyl-L-glutamine | 22.88 | 0.00 | 0.00 | 2.82 |
13.55 | pos | PC[18:2(9Z,12Z)/18:4(6Z,9Z,12Z,15Z)] | 16.74 | 0.00 | 0.00 | 2.41 |
0.69 | pos | 3-Hydroxychavicol 1-[rhamnosyl-(1- > 6)-glucoside] | 15.80 | 0.00 | 0.00 | 9.81 |
9.86 | pos | PC(18:1(6Z)/0:0) | 14.51 | 0.00 | 0.00 | 0.74 |
0.69 | pos | Phosphocholine | 14.01 | 0.00 | 0.00 | 5.13 |
8.73 | neg | LysoPC[18:3(6Z,9Z,12Z)] | 13.79 | 0.00 | 0.00 | 1.26 |
0.66 | pos | Isoswertisin 2″-O-(2′″-methylbutyrate) | 13.12 | 0.00 | 0.00 | 8.42 |
10.10 | neg | LysoPC[18:1(9Z)] | 12.55 | 0.00 | 0.00 | 0.65 |
15.25 | pos | PC[18:1(11Z)/18:3(6Z,9Z,12Z)] | 12.36 | 0.00 | 0.00 | 0.57 |
1.12 | pos | L-Isoleucine | 12.26 | 0.00 | 0.00 | 1.76 |
16.39 | pos | PC[18:1(9Z)/16:1(9Z)] | 11.86 | 0.00 | 0.00 | 0.96 |
1.60 | pos | trans-Cinnamic acid | 10.06 | 0.00 | 0.00 | 1.50 |
9.87 | neg | PC(18:1(11Z)/0:0) | 9.93 | 0.00 | 0.00 | 0.96 |
10.99 | neg | LysoPC(18:0) | 9.77 | 0.00 | 0.00 | 1.31 |
8.69 | pos | LysoPE(18:3(9Z,12Z,15Z)/0:0) | 9.46 | 0.00 | 0.00 | 0.80 |
10.24 | pos | PI(18:1(9Z)/0:0) | 9.39 | 0.00 | 0.00 | –2.08 |
10.96 | neg | LysoPE(18:0/0:0) | 9.33 | 0.02 | 0.02 | 0.75 |
8.97 | neg | LysoPC(16:1(9Z)/0:0) | 9.15 | 0.00 | 0.00 | 1.47 |
11.28 | neg | LysoPC(P-18:0) | 8.90 | 0.01 | 0.01 | 7.21 |
11.22 | neg | L-a-Lysophosphatidylserine | 8.56 | 0.02 | 0.02 | 1.43 |
11.32 | pos | PC(O-18:0/0:0) | 8.42 | 0.03 | 0.04 | 4.78 |
0.69 | pos | L-2-Amino-5-hydroxypentanoic acid | 8.37 | 0.00 | 0.00 | 0.99 |
11.25 | pos | 13R-HODE | 8.15 | 0.00 | 0.00 | 2.56 |
12.12 | neg | 1-Stearoylglycerophosphoinositol | 8.12 | 0.02 | 0.02 | 1.45 |
10.74 | pos | enantio-PAF C-16 | 8.06 | 0.01 | 0.01 | 1.97 |
0.69 | pos | 3,4,5-trihydroxy-6-{[5-(4-methoxyphenyl)-3-oxopentan-2-yl]oxy}oxane-2-carboxylic acid | 7.77 | 0.00 | 0.00 | 12.46 |
10.51 | pos | MG(0:0/18:3(9Z,12Z,15Z)/0:0) | 7.45 | 0.00 | 0.00 | 6.99 |
10.04 | neg | LysoPE(18:1(11Z)/0:0) | 7.42 | 0.02 | 0.02 | 0.39 |
14.08 | pos | PC(18:4(6Z,9Z,12Z,15Z)/16:0) | 7.28 | 0.00 | 0.00 | 2.20 |
16.36 | pos | PE[15:0/20:1(11Z)] | 7.12 | 0.00 | 0.00 | 1.29 |
8.55 | neg | LysoPC[18:3(9Z,12Z,15Z)] | 6.97 | 0.00 | 0.00 | 1.84 |
2.76 | neg | FAD | 6.96 | 0.00 | 0.00 | 3.55 |
6.09 | pos | (5-butyl-6-methyloctahydroindolizin-8-yl)methanol | 6.95 | 0.00 | 0.00 | –8.42 |
14.21 | pos | PC[18:2(9Z,12Z)/18:3(9Z,12Z,15Z)] | 6.21 | 0.00 | 0.00 | 1.70 |
9.81 | neg | LysoPC(0:0/16:0) | 6.07 | 0.02 | 0.03 | 0.82 |
0.94 | pos | arabinofuranosylguanine | 6.02 | 0.00 | 0.00 | 1.12 |
1.09 | pos | N-(1-Deoxy-1-fructosyl)leucine | 5.95 | 0.00 | 0.00 | 3.62 |
2.61 | pos | Methoxyzotepine | 5.90 | 0.00 | 0.00 | 3.41 |
10.71 | pos | LysoPE(0:0/18:0) | 5.87 | 0.04 | 0.05 | 1.11 |
0.94 | neg | (S)-2-Hydroxyglutarate | 5.85 | 0.00 | 0.00 | 4.91 |
9.83 | pos | LysoPE[0:0/18:1(11Z)] | 5.82 | 0.01 | 0.01 | 0.50 |
12.06 | pos | PI(18:0/0:0) | 5.77 | 0.03 | 0.03 | 1.34 |
4.85 | pos | N-methylundec-10-enamide | 5.75 | 0.00 | 0.00 | –8.45 |
8.85 | neg | PI(16:1(9Z)/0:0) | 5.73 | 0.00 | 0.00 | –2.44 |
16.08 | neg | N’-nitrosoanabasine | 5.69 | 0.00 | 0.00 | 0.60 |
15.24 | pos | PC[16:0/18:3(6Z,9Z,12Z)] | 5.65 | 0.00 | 0.00 | 0.72 |
15.56 | pos | SM(d18:1/16:0) | 5.63 | 0.00 | 0.00 | –0.44 |
RT (min) represent retention time. pos/neg means the metabolite profiling was obtained via ESI positive or ESI negative ion modes.