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. 2017 May 1;22(5):719. doi: 10.3390/molecules22050719

Table 1.

Result of chromatographic peak identification of wild Fritillaria (Gongliu County, Yili) (S1).

Peak tR/min Formula Experiment Value m/z Theroretical Value m/z Error Fragments Compound Relative Mass Fraction % References Structural Formula
mDa ppm
1 0.3 C6H14N4O2 175.1202 175.1195 0.7 4 0.61
2 0.35 C6H14N4O2 175.1198 175.1195 0.3 1.7 1.47
3 0.45 C9H17NO8 268.1047 268.1046 0.1 0.4 136.0632, 119.036 Adenosine 0.97 [16,17,18]
4 0.54 C12H21NO6 276.1445 276.1447 −0.2 −0.7 0.24
5 0.6 C10H23NO6 254.1617 254.1617 0 0 0.10
6 0.68 C9H15NO4 202.1081 202.1079 0.2 1 0.09
7 0.75 C6H9NO3 144.0663 144.0661 0.2 1.4 0.20
8 0.83 C8H9N 120.0818 120.0813 0.5 4.2 0.60
9 0.9 C15H35NO10 390.2355 390.2355 0.1 0.3 0.22
10 1.45 C10H19NO5 234.1385 234.1341 4.4 3.2 3.17
11 3.56 C33H51NO9 606.3644 606.3642 1.2 2 0.10
12 3.68 C27H43NO4 446.3283 446.3284 0.4 0.9 yibeisine 1.65 [6,19] Figure 2D
13 3.92 C33H51NO10 622.3589 622.3605 −1.6 −2.6 0.09
14 4.85 C33H51NO9 606.3632 606.3642 −1 −1.6 0.08
15 4.93 C33H51NO9 606.364 606.3642 −0.2 −0.3 0.05
16 5.33 C33H51NO9 606.3646 606.3642 0.4 0.7 0.25
17 5.6 C33H53NO9 608.3805 608.3799 0.5 0.8 0.51
18 5.73 C34H55NO8 606.4001 606.4006 −0.5 −0.8 0.22
19 6.02 C39H63NO13 754.4374 754.4378 −1.7 −2.3 0.07
20 6.08 C39H63NO13 754.438 754.4378 0.2 0.3 0.14
21 6.17 C33H53NO8 592.385 592.385 0 0 138.1285, 574.3744, 412.3216, 394.3110, Sipeimine-3β-d-glucoside 0.11 [20,21] Figure 2A
22 6.35 C33H53NO8 592.4021 592.4015 0.6 1 138.1285, 574.3744, 412.3216, 394.3110 Sipeimine-3β-d-glucoside its isomers 11.95 [20,21] Figure 2A
23 6.51 C33H51NO8 590.3693 590.3588 0.6 1 428.3167, 412.3211, 114.0921, 142.0782 Peimisine-3-O-β-d-glucopyranoside its isomers 4.68 [22]
24 6.81 C33H53NO8 592.3846 592.3849 −0.3 −0.5 138.1285, 574.3744, 412.3216, 394.3110, Sipeimine-3β-d-glucoside its isomers 2.53 [20,21] Figure 2A
25 6.93 C33H55NO8 594.4009 594.4006 0.2 0.3 576.3896, 414.3364, 138.1285 Peiminoside 0.62 [23]
26 6.99 C33H51NO8 590.3691 590.3693 −0.2 −0.3 428.3167, 412.3211, 114.0921, 142.0782 Peimisine-3-O-β-d-glucopyranoside its isomers 0.22 [22]
27 7.15 C27H41NO4 444.3121 444.3114 0.5 1.1 428.3167, 412.3211, 114.0921, 142.0782 Yibeissine isomers 0.27 [24]
28 7.29 C27H41NO4 444.3139 444.3127 2.5 5.6 428.3167, 412.3211, 114.0921, 142.0782 Yibeissine isomers 0.13 [24]
29 7.54 C27H43NO4 446.3274 446.327 0.4 0.9 Yibeinine its isomers 0.21 [6,19] Figure 2D
30 7.73 C27H43NO3 430.3462 430.3342 2.1 4.9 412.3279, 138.1301 Sipeimine 9.46 [23] Figure 2B
31 8.00 C27H43NO3 430.3316 430.3321 −0.6 −1.4 412.3279, 138.1301 Sipeimine its isomers 0.07 [23] Figure 2B
32 8.12 C27H43NO3 430.3313 430.3321 −0.8 −1.9 412.3279, 138.1301 Sipeimine its isomers 0.13 [23] Figure 2B
33 8.29 C27H43NO3 430.3323 430.3321 0.2 0.5 412.3279, 138.1301 Sipeimine its isomers 1.55 [23] Figure 2B
34 8.4 C27H45NO3 432.3474 432.3478 −0.4 −0.9 414.3366, 398.3054, 138.1284 Verticine its isomers 0.42 [23]
35 8.77 C27H41NO3 428.3165 428.3165 0 0 412.3211, 114.0921, 142.0782 Peimisine 4.13 [20,23,25] Figure 2E
36 9.05 C27H43NO3 430.3383 430.3321 0.1 0.2 412.3279, 138.1301 Sipeimine 3.73 [23] Figure 2B
37 9.3 C23H33NO 340.2599 340.2581 0.8 2.4 0.17
38 9.35 C27H41NO3 428.3165 428.3165 0 0 412.3211, 114.0921, 142.0782 Peimisine its isomers 0.15 [20,23,25] Figure 2E
39 9.45 C27H43NO4 446.3271 446.3271 0 0 Yibeinine its isomers 0.21 [6,19] Figure 2D
40 9.62 C34H55NO8 606.4005 606.4006 −0.1 −0.2 0.28
41 9.74 C33H53NO7 576.3902 576.3901 0.1 0.2 414.3369, 396.3263 Yibeinoside A its isomers 1.01 [25] Figure 2F
42 9.81 C33H55NO7 578.4049 578.4057 −0.7 −1.2 416.3516, 398.3409 hupeheninoside 0.45 [25]
43 10.00 C33H53NO7 576.39 576.39 0 0 414.3369, 396.3263 Yibeinoside A its isomers 0.08 [25] Figure 2F
44 10.21 C33H53NO8 592.3848 592.3849 −0.2 −0.3 138.1285, 574.3744, 412.3216, 394.3110 Sipeimine-3β-d-glucoside its isomers 0.30 [20,21] Figure 2A
45 10.51 C27H41NO 396.8019 396.8019 0 0 0.25
46 10.66 C33H53NO7 576.391 576.39 1 1.7 414.3369, 396.3263 Yibeinoside A 6.78 [20] Figure 2F
47 10.87 C33H53NO7 576.3898 576.39 −0.2 −0.3 414.3369, 396.3263 Yibeinoside A its isomers 1.05 [20] Figure 2F
48 11.33 C33H53NO7 576.39 576.39 0 0 414.3369, 396.3263 Yibeinoside A its isomers 0.87 [20] Figure 2F
49 11.6 C33H53NO7 576.396 576.4076 −3.6 −6.2 414.3369, 396.3263 Yibeinoside A its isomers 3.56 [20] Figure 2F
50 11.81 C33H53NO7 576.396 576.396 0 0 414.3369, 396.3263 Yibeinoside A its isomers 0.12 [20] Figure 2F
51 11.97 C28H45NO2 428.3163 428.3165 −0.2 −0.5 puqietinedinone its isomers 0.30 [26]
52 12.14 C33H53NO8 592.3859 592.3849 1 1.7 138.1285, 574.3744, 412.3216, 394.3110, Sipeimine-3β-d-glucoside its isomers 0.21 [20,21] Figure 2A
53 12.63 C27H43NO2 414.3461 414.6438 0.9 1.6 396.3253, 105.0697 puqiedinoneits isomers 8.84 [20,23] Figure 2C
54 12.89 C33H53NO7 576.3909 576.3901 0.9 1.6 414.3369, 396.3263 Yibeinoside A 1.11 [20] Figure 2F
55 13.1 C40H67NO12 754.4739 754.4742 −0.3 −0.2 0.55
56 13.19 C33H53NO7 576.3902 576.3901 0.2 0.3 414.3369, 396.3263 Yibeinoside A its isomers 0.93 [20] Figure 2F
57 13.46 C27H43NO2 414.3411 414.3472 3.9 9.4 396.3253, 105.0697 puqiedinone its isomers 4.03 [20,23] Figure 2C
58 13.64 C34H57NO8 608.4161 608.4162 −0.1 −0.2 pingbeininoside 0.39 [24]
59 13.76 C33H53NO8 592.385 592.385 0 0 138.1285, 574.3744, 412.3216, 394.3110 Sipeimine-3β-d-glucoside its isomers 0.51 [20,21] Figure 2A
60 13.93 C39H65NO11 724.4642 724.4636 0.6 0.8 1.11
61 14 C27H43NO3 430.3323 430.3321 0.2 0.5 412.3279, 138.1301 Sipeimine its isomers 0.64 [23] Figure 2B
62 14.13 C39H65NO12 740.4592 740.4585 0.7 0.9 0.24
63 15.07 C27H45NO2 416.3525 416.3529 −0.5 −1.2 398.3418 Songbeinine 0.27 [23]
64 15.13 C33H55NO7 578.406 578.4059 0.1 0.2 416.3516, 398.3409 hupeheninoside 0.19 [20]
65 15.66 C27H43NO2 414.3373 414.3373 0 0 396.3253, 105.0697 puqiedinone its isomers 0.58 [20,23] Figure 2C
66 15.75 C28H47NO2 430.3636 430.3685 −4.9 −11.4 puqietinone 0.23 [27]
67 15.82 C28H45NO2 428.3527 428.3529 −0.2 −0.5 puqietinedinone its isomers 0.39 [27]
68 15.9 C33H55NO6 562.4106 562.4108 −0.2 −0.4 0.49
69 16.07 C27H43NO2 414.337 414.3372 −0.3 −0.7 396.3253, 105.0697 puqiedinone its isomers 0.63 [20,23] Figure 2C
70 16.30 C27H43NO4 446.3635 446.3634 0 0 Yibeinine its isomers 0.31 [6,19] Figure 2D
71 16.37 C14H31NO2 246.2432 246.2433 −0.1 −0.4 0.44
72 16.58 C16H35NO3 290.2693 290.2695 −0.2 −0.7 0.24
73 16.79 C28H47NO2 430.3689 430.3685 0.4 0.9 puqietinone 0.35 [27]
74 17.41 C13H10O 183.081 183.081 0 0 1.00
75 17.75 C16H35NO2 274.2798 274.2759 1.3 4.7 3.04
76 17.82 C18H39NO3 318.3015 318.3008 0.7 2.2 1.50
77 17.94 C16H33NO2 272.2589 272.259 −0.2 −0.7 0.18
78 18.09 C16H35N 242.2849 242.2848 0.1 0.4 Thymidine 0.36 [18]
79 18.29 C21H30O2 359.2323 359.2324 −0.1 −0.3 0.32
80 18.76 C18H39NO2 302.3057 302.3059 −0.2 −0.7 0.20
81 18.86 C14H18O 203.1437 203.1437 0.1 0.5 0.68
82 18.96 C18H30O2 279.2321 279.2324 −0.3 −1.1 0.25
83 19.17 C17H24O3 277.1801 277.1804 −0.3 −1.1 0.37
84 19.3 C21H37N 304.3001 304.3004 −0.3 −1 0.20
85 19.42 C18H20O4 301.1417 301.144 −2.3 −7.6 0.43
86 19.89 C15H26O 223.2063 223.2062 0.3 1.3 Patchouli alcohol 0.92 [26]
87 20.04 C22H32O8 425.2154 425.2175 −1.6 −3.8 0.80
88 20.55 C16H33NO 256.264 256.264 0 0 0.18
89 20.73 C18H35NO 282.2795 282.2797 −0.6 −2.1 0.26