Table 1 UHPLC-LTQ Orbitrap MS of SWHP
No. | Ion mode | tR (min) | Molecular weight (m/z) | Molecular formula | Fragment ions | Chemical compound |
|---|---|---|---|---|---|---|
1 | Negative | 4.59 | 191.01906 | C6H8O7 | 172,130,128,110,86 | Citric acid/isocitrate |
2 | Negative | 9.85 | 191.019 | C6H8O7 | 172,130,128,110 | Citric acid/isocitrate |
3 | Negative | 10.4 | 205.03429 | C7H10O7 | 173,143,131,111 | 6-Methyl citrate |
4 | Negative | 14.35 | 219.04974 | C8H12O7 | 173,157,143,131,111 | 1,5-Dimethylcitrate |
5 | Negative | 34.93 | 342.16934 | C20H24NO4 | 297,282,265,237 | Zizyphusine |
6 | Negative | 73.59 | 543.22198 | C29H36O10 | 525,499,481,445 | Lancifodilactone C |
7 | Positive | 73.71 | 501.34177 | C28H36O8 | 455,437 | Tigloylgomisin H or aegeloygomisin H |
8 | Positive | 81.64 | 531.25757 | C29H38O9 | 495,453,425 | Angeloygomisin Q |
9 | Positive | 84.94 | 389.19424 | C22H29O6 | 374,358,342,319 | Gomisin J |
10 | Positive | 87.41 | 515.22632 | C28H34O9 | 469,385,355 | Tigloylgomisin P |
11 | Negative | 87.41 | 401.1593 | C22H26O7 | 354,284,270,257,255,242 | 3′,4′-Dimethoxybenzoicacid-(3″,4″-dimethoxyphenyl)-methyl-3-oxobutyl ester |
12 | Positive | 87.94 | 523.22839 | C30H34O8 | 508,493,477,386,315 | Benzoylgomisin H |
13 | Positive | 88.36 | 391.21078 | C22H30O6 | 359,327,289,237,235,205,166 | Pregomisin |
14 | Positive | 90.06 | 523.22894 | C30H34O8 | 493,386,315 | Benzoylgomisin H isomer |
15 | Positive | 91.75 | 387.17938 | C22H26O6 | 372,358,357,356,355,313 | Gomisin L2 |
16 | Positive | 94.95 | 403.31021 | C23H30O6 | 388,372,371,340,333,302,301 | Schisanhenol |
17 | Positive | 95.41 | 403.21021 | C23H30O6 | 388,372,371,356,340,333,301 | Gomisin K1 |
18 | Negative | 96.74 | 537.20831 | C30H34O9 | 415,385,371 | Gomisin G |
19 | Positive | 97.99 | 403.21021 | C23H30O6 | 388,372,371,356,340,333,301 | Gomisin K2 |
20 | Positive | 98.66 | 515.22552 | C28H34O9 | 469,385,355,343,323 | Schisantherin B or schisantherin C |
21 | Positive | 99.73 | 515.22595 | C28H34O9 | 385,355,316 | Gomisin E |
22 | Positive | 100.21 | 387.17983 | C22H26O6 | 355,325,317 | Gomisin M1 |
23 | Positive | 101.04 | 387.17896 | C22H26O6 | 355,325,317 | Gomisin M2 |
24 | Negative | 102.99 | 485.32553 | C30H45O5 | 439,423 | Ceanothic acid |
25 | Positive | 103.65 | 417.22552 | C24H32O6 | 402,386,370,347,316 | Schisandrin A |
26 | Positive | 105.69 | 401.19507 | C23H28O6 | 386,371,370,331,300 | Schisandrin B |
27 | Positive | 106.25 | 33.117 | C20H26O4 | 300,299,286 | Meso-dihydroguaiaretic acid |
28 | Positive | 106.4 | 401.19485 | C23H28O6 | 386,371,370,331,300 | Schisandrin B |
29 | Positive | 107.65 | 385.16333 | C22H24O6 | 370,355,315,284 | Schisandrin C |
30 | Negative | 113.6 | 279.2319 | C18H32O2 | 261,259,243,83 | 9,12-Linoleic acid |