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. 2017 Dec 22;23(1):23. doi: 10.3390/molecules23010023

Table 1.

Identification of 24 peaks showing significant difference.

Peak tR Formula Negative Ion Mode of ESI-MS (m/z) Positive Ion Mode of ESI-MS (m/z) Identification t-Value p-Value Changing Direction c
Precursor Ion Selective Ion MS2 Fragmentation Precursor Ion Selective Ion MS2 Fragmentation
1 9.81 C45H76O20 981.4892 [M + HCOO]− 935, 773, 611 919.4911 [M − H2O + H]+ 757, 595, 433, 415, 289, 271, 253 Timosaponin N a 2.77 0.01271 ↓ *
2 9.97 C45H76O20 981.4925 [M + HCOO]− 935, 773, 611 919.4916 [M − H2O + H]+ 757, 595, 433, 415, 289, 271, 253 Macrostemonoside J [12] 2.06 0.03379 ↓ *
3 10.78 C45H76O20 981.4914 [M + HCOO]− 935, 773, 611 919.4918 [M − H2O + H]+ 757, 595, 433, 415, 289, 271, 253 Timosaponin E1 a 3.25 0.00447 ↓ **
4 11.08 C51H86O24 1127.5433 [M + HCOO]− 1081, 919, 757, 595 1065.5482 [M − H2O + H]+ 903, 741, 579, 417, 399, 273, 255 Petunioside N [13] 2.21 0.03999 ↓ *
5 11.89 C51H86O23 1111.5528 [M + HCOO]− 1065, 919, 757, 595 1049.5289 [M − H2O + H]+ 903, 741, 579, 417, 399, 273, 255 Curilioside H [14] 2.92 0.00921 ↓ **
6 12.03 C45H76O19 965.5029 [M + HCOO]− 919, 757, 595 903.4982 [M − H2O + H]+ 741, 579, 417, 399, 273, 255 Timosaponin BII a 4.10 0.00067 ↓ **
7 12.14 C45H76O19 965.4945 [M + HCOO]− 919, 757, 595 903.4931 [M − H2O + H]+ 741, 579, 417, 399, 273, 255 25R-timosaponin BII [12,15] 4.17 0.00058 ↓ **
8 12.30 C45H76O19 965.4943 [M + HCOO]− 919, 757, 595 903.4940 [M − H2O + H]+ 741, 579, 417, 399, 273, 255 25S-officinalisinin-I [12,15] 2.48 0.03575 ↓ *
9 12.60 C56H92O28 1257.5733 [M + HCOO]− 1211, 1079, 1049, 917, 755, 593 1195.4256 [M − H2O + H]+ 1033, 901, 739, 577, 433, 415, 271, 253 Timosaponin H1 [12,16] 2.73 0.01360 ↓ *
10 12.75 C56H94O28 1259.5853 [M + HCOO]− 1213, 1081, 919, 757, 595 1197.4558 [M − H2O + H]+ 1065, 903, 741, 579, 435, 417, 273, 255 Timosaponin I1 [12,16] 2,17 0.04392 ↓ *
11 13.30 C45H74O19 963.4798 [M + HCOO]− 917, 755, 593 919.4893 [M + H]+ 757, 595, 433, 415, 289, 271, 253 Timosaponin D [12,17] −5.82 1.6189 × 10−5 ↑ **
12 13.46 C45H74O19 963.4806 [M + HCOO]− 917, 755, 593 919.4901 [M + H]+ 757, 595, 433, 415, 289, 271, 253 25R-timosaponin D [12] 3.53 0.00241 ↑ **
13 13.64 C45H74O19 963.4793 [M + HCOO]− 917, 755, 593 919.4889 [M + H]+ 757, 595, 433, 415, 289, 271, 253 Timosaponin D isomer [12] −2.02 0.03806 ↑ *
14 13.83 C51H84O23 1109.5370 [M + HCOO]− 1063, 901, 739 1065.5008 [M + H]+ 903, 741, 579, 417, 273, 255 (25R)-26-O-β-d-glucopyranosyl-5α-furostane-20(22)-en-3β, 26-diol-3-O-β-d-glucopyranosyl-(1→2)-β-d-glucopyranosyl-(1→4)-β-d-galactopyranoside [12,14] −2.82 0.01144 ↑ *
15 14.82 C45H74O18 947.4865 [M+HCOO]− 901, 739, 721, 577 903.4984 [M + H]+ 741, 579, 417, 273, 255 Timosaponin C [12,14] −5.24 5.4915 × 10−5 ↑ **
16 14.95 C45H74O18 947.4851 [M + HCOO]− 901, 739, 577 903.4941 [M + H]+ 741, 579, 417, 273, 255 Timosaponin BIII a −9.15 3.4202 × 10−8 ↑ **
17 15.14 C45H74O18 947.4854 [M + HCOO]− 901, 739, 577 903.4958 [M + H]+ 741, 579, 417, 273, 255 25R-timosaponin BIII [12,14] −11.53 9.5454 ×10−10 ↑ **
18 15.33 C51H84O23 1109.5577 [M + HCOO]− 1063, 901, 739 1065.5078 [M + H]+ 903, 741, 579, 417, 273, 255 Timosaponin B IV [12,14] −4.44 0.00032 ↑ **
19 16.85 C39H66O14 803.4412 [M + HCOO]− 757, 595, 433 741.4397 [M − H2O + H]+ 579, 417, 399, 289, 271, 253 Anemarrhenasaponin I a 3.23 0.00464 ↓ **
20 17.03 C39H66O14 803.4415 [M + HCOO]− 757, 595, 433 741.4398 [M − H2O + H]+ 579, 417, 399, 289, 271, 253 Anemarrhenasaponin II [18] 2.12 0.04854 ↓ *
21 20.32 C39H64O13 785.4321 [M + HCOO]− 739, 577 741.4308 [M + H]+ 579, 417, 399, 289, 271, 253 20(22)-en-5β-furost-3β,15α-diol-3-O-β-d-glucopyranosyl-(1→2)-β-d-galactopyranoside b −4.71 0.00017 ↑ **
22 20.77 C39H64O13 785.4323 [M + HCOO]− 739, 577 741.4303 [M + H]+ 579, 417, 399, 289, 271, 253 20(22)-en-5β-furost-3β,15β-diol-3-O-β-d-glucopyranosyl-(1→2)-β-d-galactopyranoside b −2.12 0.04033 ↑ *
23 23.92 C18H32O3 295.2280 [M − H]− 277, 195, 171 Hydroxy-octadecadienoic acid [19] 4.33 0.00040 ↓ **
24 24.15 C18H30O3 293.2124 [M − H]− Hydroxy-octadecatrienoic acid [19] 2.39 0.02800 ↓ *

Note: a indicated that the compounds were identified by comparison with reference compounds. b indicated that the compounds were newly generated compounds. c * p < 0.05, ** p < 0.01, compared to CAR.