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. 2018 Jan 29;8(9):4937–4945. doi: 10.1039/c7ra12247k

Twelve biomarkers related to Cortex Periplocae based on UPLC/Q-TOF-MS.

No. t R (min) Metabolites Obsed m/z Calcd m/z ppm Formula Content variancea MS/MS
Low dose Middle dose High dose
1 0.7676 l-Carnitine 162.1135 162.1130 3.08 C7H15NO3 ↑** ↑** ↑** 162.1 [M + H]+
103.0 [M + H − C3H9N]+
2 6.7406 LysoPC(20:2) 548.3717 548.3716 0.18 C28H54NO7P ↓ ↓ ↓** 548.3 [M + H]+
184.0 [M + H − C20H40O3]+
104.1[M + H − C20H41O6P]+
3 0.932 Acetyl carnitine 204.1243 204.1236 3.42 C9H17NO4 ↑ ↑ ↑* 204.1 [M + H]+
85.0 [M + H − N + (CH3)3 − CH3COOH]+
4 0.7688 Valine 118.0877 118.0868 7.62 C5H11NO2 ↓* ↓ ↓** 118.0 [M + H]+
156.0 [M + K]+
59.1 [M − C3H8N]+
5 8.6068 5-Dodecenoic acid 221.1531 221.1517 6.33 C12H22O2 ↓** ↓** ↓** 221.2 [M + Na]+
199.1 [M + H]+
181.0 [M + H − H2O]+
6 0.9374 Pantothenic acid 220.1180 220.1185 −2.27 C9H17NO5 ↓* ↓** ↓** 220.1 [M + H]+
184.0 [M + H − 2H2O]+
7 2.0541 Phenylalanine 166.0874 166.0868 3.61 C9H11NO2 ↑ ↑ ↑** 120.0 [M − C3H9]+
91.0 [M − C3H8NO]+
102.9 [M − C2H8NO]+
8 2.1636 l-Isobutyryl carnitine 232.1542 232.1549 −3.01 C11H21NO4 ↑** ↑** ↑* 172.0 [M − C3H9N]+
84.0 [M − C7H18NO2]+
9 6.741 LysoPC(22:5) 570.3521 570.3560 −6.83 C30H52NO7P ↓ ↓ ↓** 570.4 [M + H]+
184.1 [M + H − C21H41NO3P]+
125.0 [M + H − C28H47NO3]+
10 6.0194 LysoPC(20:3) 568.3379 568.3379 0 C28H52NO7P ↑* ↑* ↑* 568.3 [M + Na]+
546.4 [M + H]+
184.1 [M + H − C18H37NO4P]+
11 5.1854 LysoPC(18:4) 516.3060 516.3090 −5.81 C26H46NO7P ↓ ↓** ↓ 516.3 [M + H]+
184.0 [M + H − C21H32O3]+
104.1 [M + H − C21H33O6P]+
12 5.8014 LysoPC(16:1) 494.3243 494.3247 −0.81 C24H48NO7P ↑ ↓* ↓ 494.3 [M + H]+
476.3 [M + H − H2O]+
184.0 [M + H − C19H34O3]+
125.0 [M + H − C22H43NO3]+
104.1 [M + H − C19H35O6P]+
a

↑**, significantly increased compared with control group (P < 0.01); ↓**, significantly decreased compared with control group (P < 0.01); ↑*, significantly increased compared with control group (P < 0.05); ↓*, significantly decreased compared with control group (P < 0.05).