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 |