Table 2.
Details of 38 significant differential metabolites in serum treated with GEM alone.
| Name | Group |
Molecular formula |
Ion (m/z) |
RT/ min |
ESI mode |
Cells | Relative amount |
Tendency G/C |
|
|---|---|---|---|---|---|---|---|---|---|
| C group | G group | ||||||||
| l-Arginine | AA-1 | C6H14N4O2 | 173.1022 | 1.55 | M – H | BxCP-3 | 9875.00 ± 3836.49 | 5, 386.98 ± 1744.77 | ↓* |
| l-Threonine | AA-6 | C4H9NO3 | 118.0503 | 1.58 | M – H | BxCP-3 | 26532.48 ± 4627.81 | 15, 844.89 ± 1636.40 | ↓** |
| Acetyl-l-carnitine | AC-1 | C9H17NO4 | 204.1228 | 1.66 | M + H | BxCP-3 | 968263.26 ± 187007.55 | 1, 740, 917.03 ± 269976.93 | ↑** |
| Dodecanoyl-l-carnitine | AC-5 | C19H37NO4 | 344.2788 | 5.68 | M + H | BxCP-3 | 11339.49 ± 3530.29 | 25, 546.56 ± 6110.40 | ↑** |
| Hexadecanoyl-l-carnitine | AC-7 | C23H45NO4 | 400.3449 | 7.79 | M + H | BxCP-3 | 119228.98 ± 58879.02 | 220, 688.89 ± 30650.67 | ↑** |
| Hexadecenoyl-l-carnitine | AC-8 | C23H43NO4 | 398.3264 | 7.02 | M + H | BxCP-3 | 10802.06 ± 5054.19 | 32, 057.59 ± 10376.39 | ↑** |
| Hexanoyl-l-carnitine | AC-9 | C13H25NO4 | 260.1845 | 4.00 | M + H | BxCP-3 | 16851.57 ± 7732.15 | 57, 698.54 ± 10272.46 | ↑** |
| Octadecadienyl-l-carnitine | AC-12 | C25H45NO4 | 424.3411 | 7.40 | M + H | BxCP-3 | 45110.71 ± 11369.72 | 107, 940.11 ± 38077.38 | ↑** |
| Octadecanoyl-l-carnitine | AC-13 | C25H49NO4 | 428.3724 | 9.17 | M + H | BxCP-3 | 55950.37 ± 12841.99 | 75, 960.78 ± 12611.71 | ↑* |
| Octadecenoyl-l-carnitine | AC-14 | C25H47NO4 | 426.3569 | 8.21 | M + H | BxCP-3 | 149743.14 ± 44891.11 | 371, 505.85 ± 98606.22 | ↑** |
| Tetradecadienyl-l-carnitine | AC-15 | C21H37NO4 | 368.2785 | 5.64 | M + H | BxCP-3 | 10972.41 ± 2482.95 | 20, 093.36 ± 7141.80 | ↑* |
| Tetradecenoyl-l-carnitine | AC-17 | C21H39NO4 | 370.2954 | 6.09 | M + H | BxCP-3 | 28793.33 ± 6584.81 | 74, 972.52 ± 17484.96 | ↑** |
| (±)5-HETE | FA-2 | C20H32O3 | 319.2220 | 11.62 | M – H | BxCP-3 | 8253.37 ± 3628.19 | 27, 734.61 ± 6535.84 | ↑** |
| Arachidonic Acid | FA-6 | C20H32O2 | 303.2322 | 10.76 | M – H | BxCP-3 | 760719.54 ± 177843.33 | 1, 423, 954.30 ± 339959.20 | ↑** |
| Docosahexaenoic acid | FA-7 | C22H32O2 | 327.2323 | 10.60 | M – H | BxCP-3 | 735512.08 ± 160556.41 | 1, 244, 330.77 ± 239534.02 | ↑** |
| EPA | FA-8 | C20H30O2 | 301.2163 | 10.22 | M – H | BxCP-3 | 19434.48 ± 3129.90 | 25, 432.95 ± 2747.76 | ↑* |
| 1-Linoleoyl glycerophosphocholine | LPC-1 | C26H50NO7P | 520.3404 | 7.61 | M + H | BxCP-3 | 2896473.15 ± 505504.68 | 5, 048, 468.70 ± 543989.97 | ↑** |
| LysoPC(16:0) | LPC-3 | C24H50NO7P | 496.3402 | 8.46 | M + H | BxCP-3 | 42578974.33 ± 6563740.46 | 50, 915, 486.29 ± 2657063.51 | ↑* |
| LysoPC(18:0) | LPC-5 | C26H54NO7P | 524.3716 | 10.17 | M + H | BxCP-3 | 36522390.14 ± 5936429.38 | 45, 787, 178.78 ± 4885002.63 | ↑* |
| LysoPC(18:2) | LPC-6 | C26H50NO7P | 564.3309 | 7.62 | M + FA – H | BxCP-3 | 6850986.07 ± 770086.97 | 8, 701, 798.30 ± 756555.84 | ↑** |
| LysoPC(20:3) | LPC-7 | C28H52NO7P | 568.3404 | 7.86 | M + Na | BxCP-3 | 2543660.08 ± 502776.55 | 4, 978, 523.14 ± 408274.04 | ↑** |
| LysoPC(20:4) | LPC-8 | C28H50NO7P | 588.3302 | 7.61 | M + FA – H | BxCP-3 | 2123610.42 ± 512749.34 | 3, 681, 731.23 ± 261319.03 | ↑** |
| LysoPC(22:6) | LPC-10 | C30H50NO7P | 612.3300 | 7.52 | M + FA – H | BxCP-3 | 1229698.44 ± 258896.99 | 1, 796, 716.66 ± 119318.24 | ↑** |
| LysoPC(P-16:0) | LPC-11 | C24H50NO6P | 524.3342 | 8.79 | M + FA – H | BxCP-3 | 34629.60 ± 2605.61 | 28, 986.96 ± 5201.97 | ↓* |
| LysoPE(20:2) | LPE-2 | C25H48NO7P | 504.3077 | 7.62 | M – H | BxCP-3 | 55589.38 ± 7834.65 | 69, 930.71 ± 7487.69 | ↑* |
| 2-Methyl-3-hydroxypropanoate | OA-1 | C4H8O3 | 103.0401 | 2.69 | M – H | BxCP-3 | 55227.31 ± 5328.46 | 147, 658.95 ± 60997.03 | ↑** |
| 3-Hydroxyadipic acid | OA-2 | C6H10O5 | 161.0442 | 1.57 | M – H | BxCP-3 | 54113.53 ± 7009.07 | 68, 401.75 ± 6679.22 | ↑** |
| 3-Indolelactic acid | OA-3 | C10H9NO | 204.0659 | 4.03 | M + FA – H | BxCP-3 | 57440.71 ± 7174.73 | 32, 644.46 ± 2279.59 | ↓** |
| Citric acid | OA-4 | C6H8O7 | 191.0193 | 2.17 | M – H | BxCP-3 | 496393.03 ± 78211.54 | 360, 236.87 ± 44489.98 | ↓** |
| Fumaric acid | OA-5 | C4H4O4 | 115.0035 | 2.30 | M – H | BxCP-3 | 32057.27 ± 8599.32 | 15, 938.37 ± 7620.63 | ↓* |
| Gluconic acid | OA-6 | C6H12O7 | 195.0498 | 1.64 | M – H | BxCP-3 | 68632.55 ± 21169.23 | 39, 013.18 ± 17157.22 | ↓* |
| l-2-Aminoadipic acid | OA-7 | C6H11NO4 | 162.0760 | 2.84 | M + H | BxCP-3 | 29088.93 ± 9664.36 | 63, 599.34 ± 27102.05 | ↑* |
| Malic acid | OA-10 | C4H6O5 | 133.0142 | 1.89 | M – H | BxCP-3 | 20401.69 ± 5428.88 | 10, 278.65 ± 3096.83 | ↓** |
| PE(20:0/20:4) | PE-1 | C45H82NO8P | 840.5732 | 8.66 | M + FA – H | BxCP-3 | 90777.79 ± 37667.35 | 44, 074.25 ± 21664.45 | ↓* |
| PE(P-18:0/0:0) | PE-2 | C23H48NO6P | 464.3131 | 10.35 | M – H | BxCP-3 | 97718.87 ± 15391.83 | 77, 845.82 ± 10044.57 | ↓* |
| 1-[(5-Amino-5-carboxypentyl)amino]-1-deoxyfructose | Sca-1 | C12H24N2O7 | 353.1441 | 10.77 | M + FA – H | BxCP-3 | 15577.42 ± 8189.33 | 105, 471.51 ± 91089.15 | ↑* |
| D-galactose | Sca-2 | C6H12O6 | 179.0552 | 1.57 | M – H | BxCP-3 | 480657.67 ± 52785.37 | 623, 507.87 ± 48777.64 | ↑** |
| 3α,7α-Dihydroxy-5beta-cholestan-26-al | ST-1 | C26H42O4 | 463.3055 | 5.34 | M + FA – H | BxCP-3 | 1, 162.49 ± 538.49 | 105.76 ± 139.57 | ↓** |
Details of the 38 significant differential metabolites in serum after treatment with GEM alone, compared with no treatment. Relative amount in LC-MS were represented as mean values ± standard deviation.
*
Significant difference (P < 0.05) compared with C group.
**
Significant difference (P < 0.01) compared with C group.
RT, retention time; ESI, electrospray ionization; G, GEM; C, untreated.