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Table 1 Identification results of biomarkers between PMR and PMRP group

From: Metabolomics profiling of Polygoni Multiflori Radix and Polygoni Multiflori Radix Preparata extracts using UPLC-Q/TOF-MS

Mode RT/min VIPa Fold change Measured m/z Formula Identifier HMDB KEGG
C18+ 4.91 1.246 1.458 548.37 C28H54NO7P LysoPC(20:2(11Z,14Z)) HMDB10392 C04230
6.17 1.315 1.528 550.386 C28H56NO7P LysoPC(20:1(11Z)) HMDB10391 C04230
8.85 1.077 0.772 580.433 C30H62NO7P LysoPC(22:0) HMDB10398 C04230
9.85 1.064 0.733 675.543 C37H75N2O6P SM(d18:1/14:0) HMDB12097
9.97 1.258 0.711 608.464 C32H66NO7P LysoPC(24:0) HMDB10405 C04230
10.38 1.113 0.747 730.537 C40H76NO8P PC(14:0/18:2(9Z,12Z)) HMDB07874 C00157
10.94 1.348 0.643 756.552 C42H78NO8P PC(18:3(6Z,9Z,12Z)/16:0) HMDB08166 C00157
10.97 1.387 0.663 703.573 C39H79N2O6P SM(d18:0/16:1(9Z)) HMDB13464 C00550
11.03 1.196 0.733 806.567 C46H80NO8P PC(20:4(8Z,11Z,14Z,17Z)/18:2(9Z,12Z)) HMDB08467 C00157
11.93 1.133 0.749 792.589 C46H82NO7P PC(P-18:0/20:5(5Z,8Z,11Z,14Z,17Z)) HMDB11255
12.33 1.292 0.700 768.588 C44H82NO7P PC(o-16:0/20:4(8Z,11Z,14Z,17Z)) HMDB13407
12.39 1.665 0.568 834.598 C48H84NO8P PC(22:6(4Z,7Z,10Z,13Z,16Z,19Z)/18:0) HMDB08727 C00157
12.40 1.922 0.464 731.605 C41H83N2O6P SM(d18:0/18:1(11Z)) HMDB12088 C00550
12.66 1.539 0.615 760.583 C42H82NO8P PC(16:0/18:1(11Z)) HMDB07971 C00157
12.77 1.406 0.656 810.598 C46H84NO8P PC(20:4(8Z,11Z,14Z,17Z)/18:0) HMDB08464 C00157
14.36 1.474 0.638 788.615 C44H86NO8P PC(18:0/18:1(11Z)) HMDB08037 C00157
14.44 1.346 0.643 785.652 C45H89N2O6P SM(d18:1/22:1(13Z)) HMDB12104 C00550
C18− 11.24 1.926 4.374 391.286 C24H40O4 Chenodeoxycholic acid HMDB0000518 C02528
13.27 1.272 1.873 227.201 C14H28O2 Myristic acid HMDB00806 C06424
13.65 1.24 1.713 277.217 C18H30O2 Alpha-Linolenic acid HMDB01388 C06427
14.62 1.375 2.015 267.233 C17H32O2 (Z)-9-Heptadecenoic acid HMDB31046 C16536
15.07 1.072 1.504 305.248 C20H34O2 8,11,14-Eicosatrienoic acid HMDB02925 C03242
15.32 1.202 1.711 281.248 C18H34O2 Oleic acid HMDB00207 C00712
15.59 1.148 1.672 269.248 C17H34O2 Heptadecanoic acid HMDB02259
15.59 1.109 1.572 331.264 C22H36O2 Adrenic acid HMDB02226 C16527
15.74 1.192 1.709 307.264 C20H36O2 Eicosadienoic acid HMDB05060 C16525
Hilic 4.82 1.102 1.288 118.086 C5H11NO2 Betaine HMDB00043 C00719
5.31 1.739 0.53 126.022 C2H7NO3S Taurine HMDB00251 C00245
7.35 1.309 1.46 133.097 C5H12N2O2 Ornithine HMDB00214 C00077
  1. RT retention time
  2. aVIP variable importance in the projection was obtained from OPLS-DA mode with a threshold of 1.0