Laboratory Medicine ›› 2020, Vol. 35 ›› Issue (2): 100-107.DOI: 10.3969/j.issn.1673-8640.2020.02.002
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CAO Zheng1, DONG Ying1, ZHAO Shenglong2, WANG Jing1, ZHANG Chunhong1, CHEN Lu1, LIU Jingrui1, SHEN Min2, ZHAI Yanhong1, LIU Xiaowei3()
Received:
2019-05-20
Online:
2020-02-29
Published:
2020-03-22
CLC Number:
CAO Zheng, DONG Ying, ZHAO Shenglong, WANG Jing, ZHANG Chunhong, CHEN Lu, LIU Jingrui, SHEN Min, ZHAI Yanhong, LIU Xiaowei. Utility of non-targeted lipidomics in predicting preeclampsia[J]. Laboratory Medicine, 2020, 35(2): 100-107.
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序号 | 离子化模式 | 保留时间/min | 质荷比 | 代谢物名称 | VIP | 差异倍数 | P值 |
---|---|---|---|---|---|---|---|
1 | 负离子 | 0.65 | 464.299 | 甘氨胆酸 | 3.208 | 2.740 | 0.033 |
2 | 负离子 | 2.05 | 329.248 | 二十二碳五烯酸 | 3.184 | 2.441 | 0.005 |
3 | 正离子 | 10.83 | 723.605 | CE[22:4(7Z,10Z,13Z,16Z)] | 2.971 | 0.611 | 0.001 |
4 | 正离子 | 11.40 | 633.582 | DG[18:0/20:1(11Z)/0:0] | 2.913 | 0.623 | 0.002 |
5 | 负离子 | 4.50 | 807.504 | PI[16:1(9Z)/16:0] | 2.842 | 1.575 | 0.014 |
6 | 负离子 | 6.86 | 1 207.766 | 神经节苷脂 GM3 [d18:1/20:0] | 2.754 | 0.752 | 0.027 |
7 | 正离子 | 7.51 | 631.567 | DG[18:2(9Z,12Z)/20:0/0:0) | 2.731 | 0.783 | 0.020 |
8 | 负离子 | 8.28 | 826.641 | 磷脂酰乙醇胺[20:2(11Z,14Z)/22:0] | 2.615 | 0.751 | 0.000 |
9 | 正离子 | 11.01 | 397.382 | β-谷甾醇 | 2.554 | 0.645 | 0.005 |
10 | 正离子 | 10.57 | 381.350 | 24-亚甲基胆甾醇 | 2.523 | 0.704 | 0.003 |
11 | 正离子 | 11.04 | 699.605 | CE[20:2(6Z,9Z)] | 2.396 | 0.665 | 0.011 |
12 | 正离子 | 8.41 | 799.595 | 磷脂酰胆碱[18:1(11Z)/18:3(9Z,12Z,15Z)] | 2.386 | 0.756 | 0.002 |
13 | 正离子 | 8.55 | 620.539 | DG[18:0/18:2(9Z,12Z)/0:0] | 2.368 | 1.295 | 0.007 |
14 | 负离子 | 7.77 | 733.622 | 鞘磷脂[d18:0/18:0] | 2.345 | 1.380 | 0.008 |
15 | 负离子 | 1.76 | 391.285 | 鹅去氧胆酸 | 2.276 | 0.652 | 0.046 |
16 | 正离子 | 7.81 | 573.488 | DG[16:1(9Z)/18:2(9Z,12Z)/0:0] | 2.273 | 1.243 | 0.005 |
17 | 正离子 | 8.26 | 1 264.839 | 神经节苷脂GM3 [d18:1/24:0] | 2.219 | 0.726 | 0.014 |
18 | 正离子 | 8.23 | 618.523 | DG[18:1(9Z)/18:2(9Z,12Z)/0:0] | 2.206 | 1.292 | 0.006 |
19 | 正离子 | 7.77 | 658.540 | DG[18:2(9Z,12Z)/20:4(5Z,8Z,11Z,14Z)/0:0] | 2.176 | 1.290 | 0.003 |
20 | 正离子 | 5.77 | 781.622 | 鞘磷脂[d18:0/22:2(13Z,16Z)(OH)] | 2.171 | 1.303 | 0.010 |
21 | 负离子 | 7.51 | 889.574 | PI[18:0/20:2(11Z,14Z)] | 2.126 | 0.799 | 0.008 |
22 | 负离子 | 1.69 | 283.264 | 硬脂酸 | 2.098 | 1.238 | 0.022 |
23 | 负离子 | 8.23 | 653.496 | DG[18:1(9Z)/18:2(9Z,12Z)/0:0)] | 2.075 | 1.297 | 0.003 |
24 | 正离子 | 8.19 | 565.543 | 神经酰胺(d18:1/18:0) | 2.062 | 1.283 | 0.002 |
25 | 负离子 | 8.61 | 628.543 | 神经酰胺(d18:1/20:0) | 2.055 | 1.321 | 0.018 |
26 | 正离子 | 10.53 | 1 005.792 | 乳糖神经酰胺(d18:1/25:0) | 2.048 | 0.730 | 0.016 |
27 | 负离子 | 8.61 | 818.629 | 半乳糖神经酰胺(d18:1/22:0) | 2.045 | 0.779 | 0.002 |
28 | 正离子 | 1.14 | 568.338 | 溶血磷脂酰胆碱[22:6(4Z,7Z,10Z,13Z,16Z,19Z)] | 2.037 | 1.371 | 0.012 |
29 | 负离子 | 7.91 | 305.248 | 8,11,14-二十碳三烯酸 | 2.026 | 1.259 | 0.043 |
30 | 正离子 | 2.74 | 449.281 | 三烯生育酚 | 2.010 | 1.371 | 0.010 |
31 | 正离子 | 8.58 | 842.665 | 磷脂酰胆碱[18:2(9Z,12Z)/22:0] | 1.974 | 0.815 | 0.002 |
32 | 正离子 | 11.14 | 935.805 | DG[18:1(9Z)/20:1(11Z)/20:4(5Z,8Z,11Z,14Z)] | 1.957 | 0.790 | 0.003 |
33 | 正离子 | 5.72 | 594.523 | DG[18:1(9Z)/16:0/0:0] | 1.914 | 1.260 | 0.009 |
34 | 正离子 | 8.11 | 566.491 | DG[16:0/16:1(9Z)/0:0] | 1.912 | 1.217 | 0.024 |
35 | 正离子 | 8.23 | 761.653 | 鞘磷脂(d18:0/20:0) | 1.904 | 1.244 | 0.007 |
36 | 正离子 | 8.91 | 622.555 | DG[18:0/18:1(9Z)/0:0] | 1.850 | 1.234 | 0.031 |
37 | 正离子 | 10.73 | 645.558 | CE[16:1(9Z)] | 1.825 | 1.399 | 0.041 |
38 | 正离子 | 11.20 | 632.634 | 神经酰胺 (d18:1/24:0) | 1.802 | 0.821 | 0.003 |
39 | 正离子 | 8.62 | 773.652 | 鞘磷脂(d18:0/22:0) | 1.766 | 1.269 | 0.011 |
40 | 负离子 | 5.72 | 835.535 | PI[16:1(9Z)/18:0] | 1.762 | 1.235 | 0.022 |
41 | 正离子 | 1.02 | 543.333 | 溶血磷脂酰胆碱[20:4(8Z,11Z,14Z,17Z)] | 1.739 | 1.357 | 0.040 |
42 | 正离子 | 8.25 | 891.673 | 磷脂酰胆碱[22:4(7Z,10Z,13Z,16Z)/22:1(13Z)] | 1.632 | 0.820 | 0.017 |
序号 | 离子化模式 | 保留时间/min | 质荷比 | 代谢物名称 | VIP | 差异倍数 | P值 |
---|---|---|---|---|---|---|---|
1 | 负离子 | 0.65 | 464.299 | 甘氨胆酸 | 3.208 | 2.740 | 0.033 |
2 | 负离子 | 2.05 | 329.248 | 二十二碳五烯酸 | 3.184 | 2.441 | 0.005 |
3 | 正离子 | 10.83 | 723.605 | CE[22:4(7Z,10Z,13Z,16Z)] | 2.971 | 0.611 | 0.001 |
4 | 正离子 | 11.40 | 633.582 | DG[18:0/20:1(11Z)/0:0] | 2.913 | 0.623 | 0.002 |
5 | 负离子 | 4.50 | 807.504 | PI[16:1(9Z)/16:0] | 2.842 | 1.575 | 0.014 |
6 | 负离子 | 6.86 | 1 207.766 | 神经节苷脂 GM3 [d18:1/20:0] | 2.754 | 0.752 | 0.027 |
7 | 正离子 | 7.51 | 631.567 | DG[18:2(9Z,12Z)/20:0/0:0) | 2.731 | 0.783 | 0.020 |
8 | 负离子 | 8.28 | 826.641 | 磷脂酰乙醇胺[20:2(11Z,14Z)/22:0] | 2.615 | 0.751 | 0.000 |
9 | 正离子 | 11.01 | 397.382 | β-谷甾醇 | 2.554 | 0.645 | 0.005 |
10 | 正离子 | 10.57 | 381.350 | 24-亚甲基胆甾醇 | 2.523 | 0.704 | 0.003 |
11 | 正离子 | 11.04 | 699.605 | CE[20:2(6Z,9Z)] | 2.396 | 0.665 | 0.011 |
12 | 正离子 | 8.41 | 799.595 | 磷脂酰胆碱[18:1(11Z)/18:3(9Z,12Z,15Z)] | 2.386 | 0.756 | 0.002 |
13 | 正离子 | 8.55 | 620.539 | DG[18:0/18:2(9Z,12Z)/0:0] | 2.368 | 1.295 | 0.007 |
14 | 负离子 | 7.77 | 733.622 | 鞘磷脂[d18:0/18:0] | 2.345 | 1.380 | 0.008 |
15 | 负离子 | 1.76 | 391.285 | 鹅去氧胆酸 | 2.276 | 0.652 | 0.046 |
16 | 正离子 | 7.81 | 573.488 | DG[16:1(9Z)/18:2(9Z,12Z)/0:0] | 2.273 | 1.243 | 0.005 |
17 | 正离子 | 8.26 | 1 264.839 | 神经节苷脂GM3 [d18:1/24:0] | 2.219 | 0.726 | 0.014 |
18 | 正离子 | 8.23 | 618.523 | DG[18:1(9Z)/18:2(9Z,12Z)/0:0] | 2.206 | 1.292 | 0.006 |
19 | 正离子 | 7.77 | 658.540 | DG[18:2(9Z,12Z)/20:4(5Z,8Z,11Z,14Z)/0:0] | 2.176 | 1.290 | 0.003 |
20 | 正离子 | 5.77 | 781.622 | 鞘磷脂[d18:0/22:2(13Z,16Z)(OH)] | 2.171 | 1.303 | 0.010 |
21 | 负离子 | 7.51 | 889.574 | PI[18:0/20:2(11Z,14Z)] | 2.126 | 0.799 | 0.008 |
22 | 负离子 | 1.69 | 283.264 | 硬脂酸 | 2.098 | 1.238 | 0.022 |
23 | 负离子 | 8.23 | 653.496 | DG[18:1(9Z)/18:2(9Z,12Z)/0:0)] | 2.075 | 1.297 | 0.003 |
24 | 正离子 | 8.19 | 565.543 | 神经酰胺(d18:1/18:0) | 2.062 | 1.283 | 0.002 |
25 | 负离子 | 8.61 | 628.543 | 神经酰胺(d18:1/20:0) | 2.055 | 1.321 | 0.018 |
26 | 正离子 | 10.53 | 1 005.792 | 乳糖神经酰胺(d18:1/25:0) | 2.048 | 0.730 | 0.016 |
27 | 负离子 | 8.61 | 818.629 | 半乳糖神经酰胺(d18:1/22:0) | 2.045 | 0.779 | 0.002 |
28 | 正离子 | 1.14 | 568.338 | 溶血磷脂酰胆碱[22:6(4Z,7Z,10Z,13Z,16Z,19Z)] | 2.037 | 1.371 | 0.012 |
29 | 负离子 | 7.91 | 305.248 | 8,11,14-二十碳三烯酸 | 2.026 | 1.259 | 0.043 |
30 | 正离子 | 2.74 | 449.281 | 三烯生育酚 | 2.010 | 1.371 | 0.010 |
31 | 正离子 | 8.58 | 842.665 | 磷脂酰胆碱[18:2(9Z,12Z)/22:0] | 1.974 | 0.815 | 0.002 |
32 | 正离子 | 11.14 | 935.805 | DG[18:1(9Z)/20:1(11Z)/20:4(5Z,8Z,11Z,14Z)] | 1.957 | 0.790 | 0.003 |
33 | 正离子 | 5.72 | 594.523 | DG[18:1(9Z)/16:0/0:0] | 1.914 | 1.260 | 0.009 |
34 | 正离子 | 8.11 | 566.491 | DG[16:0/16:1(9Z)/0:0] | 1.912 | 1.217 | 0.024 |
35 | 正离子 | 8.23 | 761.653 | 鞘磷脂(d18:0/20:0) | 1.904 | 1.244 | 0.007 |
36 | 正离子 | 8.91 | 622.555 | DG[18:0/18:1(9Z)/0:0] | 1.850 | 1.234 | 0.031 |
37 | 正离子 | 10.73 | 645.558 | CE[16:1(9Z)] | 1.825 | 1.399 | 0.041 |
38 | 正离子 | 11.20 | 632.634 | 神经酰胺 (d18:1/24:0) | 1.802 | 0.821 | 0.003 |
39 | 正离子 | 8.62 | 773.652 | 鞘磷脂(d18:0/22:0) | 1.766 | 1.269 | 0.011 |
40 | 负离子 | 5.72 | 835.535 | PI[16:1(9Z)/18:0] | 1.762 | 1.235 | 0.022 |
41 | 正离子 | 1.02 | 543.333 | 溶血磷脂酰胆碱[20:4(8Z,11Z,14Z,17Z)] | 1.739 | 1.357 | 0.040 |
42 | 正离子 | 8.25 | 891.673 | 磷脂酰胆碱[22:4(7Z,10Z,13Z,16Z)/22:1(13Z)] | 1.632 | 0.820 | 0.017 |
代谢通路分析 | 代谢途径中的生物标志物 | -logP值 |
---|---|---|
鞘磷脂代谢途径 | 神经酰胺、乳糖神经酰胺、半乳糖神经酰胺、鞘磷脂 | 10.145 |
甘油磷脂代谢途径 | 磷脂酰乙醇胺、磷脂酰胆碱、溶血磷脂酰胆碱 | 5.598 |
初级胆汁酸合成代谢途径 | 鹅去氧胆酸、甘氨胆酸 | 2.869 |
代谢通路分析 | 代谢途径中的生物标志物 | -logP值 |
---|---|---|
鞘磷脂代谢途径 | 神经酰胺、乳糖神经酰胺、半乳糖神经酰胺、鞘磷脂 | 10.145 |
甘油磷脂代谢途径 | 磷脂酰乙醇胺、磷脂酰胆碱、溶血磷脂酰胆碱 | 5.598 |
初级胆汁酸合成代谢途径 | 鹅去氧胆酸、甘氨胆酸 | 2.869 |
生物标志物 | AUC(95%可信区间) | 最佳临界值(峰面积) | 敏感性/% | 特异性/% |
---|---|---|---|---|
甘氨胆酸 | 0.660(0.533~0.772) | 632.98 | 63.6 | 69.7 |
二十二碳五烯酸 | 0.678(0.551~0.788) | 1 159.34 | 72.7 | 57.6 |
CE〔22:4(7Z,10Z,13Z,16Z)〕 | 0.723(0.599~0.826) | 9 372.20 | 63.6 | 78.8 |
DG〔18:0/20:1(11Z)/0:0〕 | 0.715(0.591~0.820) | 34 660.74 | 75.8 | 66.7 |
PI〔16:1(9Z)/16:0〕 | 0.669(0.542~0.780) | 33 824.52 | 84.8 | 42.4 |
生物标志物 | AUC(95%可信区间) | 最佳临界值(峰面积) | 敏感性/% | 特异性/% |
---|---|---|---|---|
甘氨胆酸 | 0.660(0.533~0.772) | 632.98 | 63.6 | 69.7 |
二十二碳五烯酸 | 0.678(0.551~0.788) | 1 159.34 | 72.7 | 57.6 |
CE〔22:4(7Z,10Z,13Z,16Z)〕 | 0.723(0.599~0.826) | 9 372.20 | 63.6 | 78.8 |
DG〔18:0/20:1(11Z)/0:0〕 | 0.715(0.591~0.820) | 34 660.74 | 75.8 | 66.7 |
PI〔16:1(9Z)/16:0〕 | 0.669(0.542~0.780) | 33 824.52 | 84.8 | 42.4 |
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