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Table 2 Evaluation of Compounds obtained from CD and its processed products by UPLC-Q-TOF-MSE

From: Chemical profiles and metabolite study of raw and processed Cistanche deserticola in rats by UPLC-Q-TOF-MSE

NO RT Identification Molecular formula Adducts Experimental Theoretical Error
(ppm)
MS/MS fragmentation source
1 1.10 Kankanoside B C15H24O10  + HCOO 409.1348 364.1369 0.2 363.12870, 183.06693, 153.05619 CD, CD-HP
2 1.22 6-Deoxycatalpol C15H22O9  + HCOO 391.1245 346.1260 0.5 391.12447, 341.10886, CD, CD-NP, CD-HP
3 1.44 6-Deoxycatalpol C15H22O9  + HCOO 391.1245 346.1260 0.5 391.12448, 183.06662 CD, CD-HP
4 2.04 Androsin C15H20O8  + HCOO 373.1143 328.1163 0.8 373.11434, 211.06188, 193.05142 CD, CD-NP, CD-HP
5 2.25 6-Deoxycatalpol C15H22O9  + HCOO 391.1245 346.1260 0.5 391.12446, 229.07232, 167.03571 CD, CD-NP, CD-HP
6 2.58 Androsin C15H20O8  + HCOO 373.1147 328.1166 1.2 373.11471, 299.11294, 211.06206, 149.06137 CD, CD-NP, CD-HP
7 2.64 Kankanoside L C15H24O9  + HCOO 393.1404 348.1421 0.7 393.14046, 315.10749, 206.06863, 134.04736 CD, CD-NP, CD-HP
8 2.93 kankanoside M C15H22O8  + HCOO 375.1297 330.1318 0.6 375.12966, 213.07775, 125.06127 CD, CD-NP, CD-HP
9 3.14 3,4-dimethoxybenzyl-β-d-glucoside C16H24O10 –H 375.1299 376.1373 0.8 375.12994, 255.08683, 213.07767, 151.07707 CD, CD-NP, CD-HP
10 3.22 Decaffeoylacteoside C20H30O12 –H 461.1659 462.1734 0 461.16591, 315.10891, 135.04591 CD, CD-NP, CD-HP
11 3.24 Kankanoside F C26H40O17 –H 623.2192 624.2273 0.5 623.21920, 461.16678, 315.10994, 135.04591 CD, CD-NP, CD-HP
12 3.25 Gluroside C15H24O8  + HCOO 377.1449 332.1463 0.1 377.14491, 461.16609, 315.10891, 135.04591 CD, CD-NP, CD-HP
13 3.31 Cistantubulose A1 C27H38O18 –H 649.1987 650.2068 0.7 649.19871, 537.18251, 335.09146, 179.03598, CD, CD-NP, CD-HP
14 3.35 6-deoxycatalpol C15H22O9 –H 345.1193 346.1271 0.7 345.11929, 299.11424, 179.03598 CD, CD-NP, CD-HP
15 3.40 Adoxosidic acid C16H24O10 –H 375.1302 376.1373 − 1.1 213.07683 CD, CD-NP, CD-HP
16 3.54 Cistanoside F C21H28O13 –H 487.1451 488.1532 − 0.1 487.14512, 325.09503, 251.05822, 179.03637 CD, CD-NP, CD-HP
17 3.65 Sinapic aldehyde 4-O-β-d-glucopyranoside C16H20O9  + HCOO 401.1087 356.1109 0.3 401.10872, 301.09,397, 283.08371, 193.05148 CD, CD-NP, CD-HP
18 3.77 Kankanose C27H38O18 –H 649.1985 650.2063 0.5 649.19853, 461.16139, 293.12495, 179.03612 CD, CD-NP, CD-HP
19 3.79 3-Methyl-but-2-en-1-yl-β-d-glucopyranoside C11H20O6  + HCOO 293.1249 248.1264 1.3 293.12494, 195.06673, 179.03612 CD, CD-NP, CD-HP
20 3.81 Demethylsyringing C16H22O9 –H 357.1193 358.1266 0.7 357.11931, 251.05778, 195.06,678, 179.03653 CD, CD-NP, CD-HP
21 3.82 Cistanoside G C20H30O11 –H 445.1709 446.1756 − 0.1 445.17092, 375.13013, 293.12548, 195.06823, 179.03678 CD, CD-NP, CD-HP
22 3.84 Cistanoside F C21H28O13 –H 487.1458 488.1523 − 0.6 487.14577, 445.17102,323.08273, 179.03678, CD, CD-NP, CD-HP
23 3.96 3-Methyl-but-2-en-1-yl-β-D-glucopyranoside C11H20O6  + HCOO 293.1251 248.1268 1.5 293.12505, 161.04759 CD, CD-NP, CD-HP
24 3.98 Gluroside C15H24O8  + HCOO 377.1455 332.1476 0.7 377.14547, 293.12505, 179.03614 CD, CD-HP
25 4.03 Cistanoside F C21H28O13 –H 487.1457 488.1538 0.5 487.14668, 2,23.06196, 179.03779 CD, CD-NP, CD-HP
26 4.16 Kankanoside D C15H26O7  + HCOO 363.1663 318.1679 0.8 363.16634, 315.10883, 179.03855, 161.04465 CD, CD-NP, CD-HP
27 4.19 Cistanoside E C21H32O12 –H 475.1869 476.1888 5.3 475.18694, 363.16559, 179.03,855 CD, CD-NP, CD-HP
28 4.25 Cistanoside I C21H28O12 –H 471.1505 472.1577 0.2 471.15048, 369.11987, 471.15071, 179.03589, 163.04110 CD, CD-NP, CD-HP
29 4.32 Cistanoside F C21H28O13 –H 487.1466 488.153 1.4 487.14656, 323.07922, 251.05793, 179.03699 CD, CD-NP, CD-HP
30 4.53 Cistanoside F C21H28O13 –H 487.1464 488.1537 1.2 487.14637, 323.08028, 251.05805, 179.03769 CD, CD-NP, CD-HP
31 4.55 Androsin C15H20O8 –H 327.1092 328.1158 1.2 327.10918, 251.05805, 179.03769, 131.07201 CD, CD-NP, CD-HP
32 4.86 Cistanoside H C22H32O13 –H 503.1761 504.1835 − 0.4 503.17610, 461.16590, 375.13036, 315.10972, 135.04603 CD, CD-NP, CD-HP
33 4.88 Kankanoside E C16H28O8  + HCOO 393.1760 348.1784 − 0.1 393.17603, 241.11923, 375.13036, 161.03814 CD, CD-HP
34 4.92 Cistantubuloside C 1 /C 2 C35H46O21 –H 801.2487 802.2556 3.4 801.24867, 623.20258, 110.03824 CD, CD-NP, CD-HP
35 5.29 (2E,6Z)-2-β-d-Glucopyranosyloxy-2,6-dimethyl-2,6-octadienoic acid C16H26O8  + HCOO 391.1608 346.1628 0.4 391.16080, 345.15509, 163.03730 CD, CD-NP, CD-HP
36 5.47 Kankanoside E C16H28O8  + HCOO 393.1766 348.1783 0.5 393.17656, 283.07834, 179.03768 CD, CD-NP, CD-HP
37 5.56 Campneoside II C29H36O16 –H 639.1926 640.2003 0.1 621.19264, 361.15007, 161.02704 CD, CD-NP, CD-HP
38 5.73 Echinacoside C35H46O20 –H 785.2549 786.2618 4.5 785.25485, 623.21903, 392.11650, 179.03596 CD, CD-NP, CD-HP
39 5.81 8-hydroxygeraniol-1-β-d-glucopyranoside C16H28O7  + HCOO 377.1813 332.1835 0.1 377.18129, 331.14023, 164.07382 CD, CD-NP, CD-HP
40 5.86 Cistanoside E C21H32O12 –H 475.1813 476.1888 − 0.3 347.17188, 251.05915 CD, CD-NP, CD-HP
41 5.93 Liriodendrin C34H46O18  + HCOO 787.2670 742.2689 0.9 787.26703, 579.20978, 475.18047, 417.15414 CD, CD-NP
42 6.00 Isolariciresinol-9′-O-β-d-glucopyranoside C26H34O11  + HCOO 567.2076 522.2095 − 0.2 567.20755, 359.14970, 329.13966, 178.06231 CD, CD-NP, CD-HP
43 6.06 Campneoside II C29H36O16 –H 639.1936 640.2003 1.1 639.19362, 487.14472, 251.05630 CD, CD-NP, CD-HP
44 6.26 Kankanosides K 1 /K 2 C36H48O21 –H 815.2636 816.2701 2.6 815.26358, 783.23518, 637.1979, 381.15558, 179.03631 CD, CD-NP, CD-HP
45 6.34 Cistantubuloside B 1 C35H46O19 –H 769.2573 770.2655 1.8 769.25732, 623.21303, 420.06489, 163.03926 CD, CD-NP, CD-HP
46 6.36 8-hydroxygeraniol-1-β-d-glucopyranoside C16H28O7  + HCOO 377.1820 332.1833 0.8 377.18204, 367.15243, 163.04196 CD, CD-NP, CD-HP
47 6.42 Kankanoside N C16H26O8 –H 345.1563 346.1637 1.4 345.15630, 197.80891, 113.02490 CD, CD-NP, CD-HP
48 6.50 Cistanoside A C36H48O20  + HCOO 845.2769 800.2781 5.4 845.27689, 799.27001,681.20502 CD, CD-NP, CD-HP
49 6.47 Kankanoside I C35H46O18  + HCOO 799.2703 754.2718 4.2 799.27031, 365.08428, 161.02522 CD, CD-NP, CD-HP
50 6.79 (2E,6E)-2-β-d-glucopyranosyloxy-2,6-dimethyl-2,6-octadienoic acid C16H26O8 –H 345.1565 346.1632 1.6 345.15649, 165.09327 CD, CD-NP, CD-HP
51 6.96 Kankanoside A C16H26O8 –H 345.1565 346.1633 1.6 345.15647, 195.06666, 179.03628 CD, CD-NP, CD-HP
52 7.03 Cistanoside C C30H38O15  + HCOO 683.2198 638.2208 1.1 683.21978, 489.14915, 417.15349, 335.20636, 197.80796 CD, CD-NP, CD-HP
53 7.09 kankanoside E C16H28O8 –H 347.1716 348.1781 1.0 347.17157, 195.81307, 167.10929 CD, CD-NP, CD-HP
54 7.19 Acteoside C29H34O15 –H 623.1992 622.1892 1.6 623.19917, 461.16657, 315.10988, 161.02530 CD, CD-NP, CD-HP
55 7.25 Tubuloside A C37H48O21 –H 827.2655 828.2721 4.5 827.26548, 621.18343, 469.13652, 379.19635 CD, CD-NP, CD-HP
56 7.51 Cistanoside B C37H50O20  + HCOO 859.2913 814.2931 4.1 859.2913, 679.18910, 565.19246 CD, CD-NP, CD-HP
57 7.58 Cistanoside J C33H42O16  + HCOO 739.2409 694.2482 4.0 739.24093, 345.15468, 161.02597 CD, CD-NP, CD-HP
58 7.60 Tubuloside A C37H48O21 –H 827.2649 828.2727 3.9 827.26486, 739.24745, 579.22756, 345.15468, 161.02597 CD-NP, CD-HP
59 7.7 Kankanoside E C16H28O8 –H 347.1719 348.1791 1.3 347.17191, 303.18323, 211.13616, 185.11917, CD, CD-NP, CD-HP
60 7.86 Acteoside C29H36O15 –H 623.1995 624.2067 1.9 623.19954, 461.16624, 161.02546 CD, CD-NP, CD-HP
61 7.94 Crenatoside C29H34O15 –H 621.1833 622.1907 1.4 621.18331, 387.14418, 179.03640 CD, CD-NP, CD-HP
62 8.06 Kankanosides K1/K2 C36H48O21 –H 815.2631 816.2688 2.1 499.1811, 197.8080, 160.8423 CD-HP
63 8.33 Kankanoside H1 C37H48O20 –H 812.2731 812.2739 − 0.8 607.20431, 445.17033, 161.02556 CD, CD-HP
64 8.36 Isosyringalide-3´-α-L-rhamnopyranoside C29H36O14 –H 607.2034 608.2119 0.7 607.20341, 461.16447, 315.10906, 145.03063 CD, CD-NP, CD-HP
65 8.53 Campneoside I C30H38O16 –H 653.2084 654.216 1.6 607.20440, 461.16367, 443.15204, 145.03081 CD, CD-NP, CD-HP
66 8.78 Cis-isocistanoside C C30H38O15 –H 637.2147 638.2222 1.5 637.21474, 475.18074, 329.12012, 161.02576 CD, CD-NP, CD-HP
67 8.84 Citrusin A C27H36O11  + HCOO 581.2235 536.2280 0.1 581.22351, 433.15241,371.13360,343.1457 CD, CD-NP, CD-HP
68 9.17 Isosyringalise-3´-ɑ-L-rhamnopyranoside C29H36O14 –H 607.2033 608.2122 0.6 607.20334, 461.15822, 161.02611 CD, CD-NP, CD-HP
69 9.50 Isocampneoside I C30H38O16 –H 653.2094 654.2161 1.2 607.2094, 461.16616, 307.08417, 145.03058 CD, CD-NP, CD-HP
70 9.50 Syringalide A-3´-α-L-rhamnopyranoside C29H36O14 –H 607.2037 608.2127 1.0 607.20372, 461.16616, 307.08417, 145.03089 CD, CD-NP, CD-HP
71 9.57 isocistanoside C C30H38O15 –H 637.2150 638.2221 1.8 637.21503, 445.15153, 323.07862, 251.05653 CD, CD-NP, CD-HP
72 9.62 Cis-Tubuloside B C31H38O16 –H 665.2103 666.2169 2.1 665.21032, 503.17680, 305.06585, 161.02529 CD, CD-NP, CD-HP
73 9.76 Crenatoside C29H34O15 –H 621.1826 622.1891 0.7 621.18264, 487.14611, 323.07878, 179.03579 CD, CD-NP, CD-HP
74 9.92 cistanoside C C30H38O15 –H 637.2139 638.2209 0.7 637.21389, 591.20868, 445.16991, 163.04078, 145.03032 CD, CD-NP, CD-HP
75 9.92 Osmanthuside B C29H36O13 –H 591.2080 592.2158 0.2 591.20804, 445.16991, 160.84291, 145.03032 CD, CD-NP, CD-HP
76 10.28 Eutigoside A C23H26O9 –H 445.1501 446.1571 0.2 445.15008, 163.03943, 145.03004 CD, CD-NP, CD-HP
77 10.35 Cistanoside M C30H38O14  + HCOO 667.2245 622.2248 0.7 667.22446, 621.21761, 555.20753, 161.02534 CD, CD-NP, CD-HP
78 10.78 Isomartynoside C31H40O15  + HCOO 697.2356 652.2372 1.2 697.23563, 651.22859, 475.17960, 175.04062 CD, CD-NP, CD-HP
79 10.92 Salsaside B C28H34O13 –H 577.1929 578.1999 0.8 503.17758, 323.07755, 161.02527 CD, CD-NP, CD-HP
80 10.93 2´-acetylacteoside C31H38O16 –H 665.2108 666.2173 2.6 665.21076, 503.17758, 305.06712, 161.02527 CD, CD-NP, CD-HP
81 11.08 Osmanthuside B C29H36O13 –H 591.2084 591.2093 0.6 445.1579, 163.0400, 145.0301 CD, CD-NP, CD-HP
82 11.08 Plantainoside C C30H38O15 –H 637.2141 638.2238 0.9 591.20986, 445.15921, 145.03022 CD, CD-NP, CD-HP
83 11.33 Kankanosides J1/J2 C32H40O17 –H 695.2190 696.2267 0.3 695.21902, 649.21477, 503.17505, 145.03017 CD, CD-NP, CD-HP
84 11.33 SalsasideF C31H38O15 –H 649.2140 650.2199 0.8 649.21399, 503.17505, 347.16994, 145.03017 CD, CD-NP, CD-HP
85 11.89 Cistansinenside A C32H40O16 –H 679.2246 680.2324 0.8 679.22464, 623.19749, 161.02503 CD, CD-NP, CD-HP
86 12.02 isomartynoside C31H40O15  + HCOO 697.2360 652.2364 1.6 697.23604, 651.22862, 505.16921, 175.04095 CD, CD-NP, CD-HP
87 12.63 Salsaside A C28H34O13 –H 577.1932 578.1982 1.1 577.19316, 501.16521, 469.13425, 179.03540, 161.02496 CD, CD-NP, CD-HP
88 12.84 Salsaside Ca/Cb C28H34O12 –H 561.1978 562.2044 0.6 561.19776, 415.16021, 163.04118, 145.03011 CD, CD-NP, CD-HP
89 12.90 SalsasideF C31H38O15 –H 649.2144 650.2212 1.2 649.21443, 503.17434, 461.16538 CD, CD-NP, CD-HP
90 12.90 Kankanosides J1/J2 C32H40O17 –H 695.2195 696.2274 0.8 695.21948, 649.21421, 607.20459, 503.17401, 149.02394 CD, CD-NP, CD-HP
91 13.10 Osmanthuside B C29H36O13 –H 591.2085 592.2162 0.7 591.20845, 429.17830, 161.02556 CD, CD-NP, CD-HP
92 13.11 Jionoside D C30H38O15 –H 637.2131 638.2210 − 0.1 591.20842, 161.02556 CD, CD-NP, CD-HP
93 13.17 Salsaside D C31H38O15 –H 649.2140 650.2199 0.8 649.21401, 607.19810, 329.16152 CD, CD-NP, CD-HP
94 13.53 cistansinenside A C32H40O16 –H 679.2251 680.2314 1.3 679.22512, 637.21464, 461.16791, 161.02601 CD, CD-NP, CD-HP
95 14.36 Osmanthuside B6(Z) C29H36O13 –H 591.2085 592.2152 0.7 591.20854, 489.26955, 445.15395, 161.02652 CD, CD-NP, CD-HP
96 15.30 sinenside A C32H40O16 –H 679.2255 680.2328 1.7 679.22547, 633.22252, 591.20916, 145.03024 CD, CD-NP
97 16.43 Cistanoside M C30H38O14 –H 621.2184 622.2258 0.1 591.20868, 489.27111, 161.02535 CD, CD-NP