Table 2.
No. | TR (min) | Formula | [M + H]+ (Error, ppm) | [M − H]− (Error, ppm) | Fragment Ions in | Identified Compounds | Ref. | ||
---|---|---|---|---|---|---|---|---|---|
Positive (+) Ion Mode | Negative (−) Ion Mode | In Extract | In Serum | ||||||
1 | 0.77 | C6H14N4O2 | 173.1046 (1.2) | 131.0829 | Arginine s | − | [10] | ||
2 | 0.78 | C5H13NO | 104.1070 (0.7) | 60.0832 [M + H − H − C2H5O]+ | Choline s | + | [10] | ||
58.0680 | |||||||||
3 | 0.85 | C5H9NO2 | 116.0705 (−0.7) | 70.0671 [M + H − HCOOH]+ | Proline | − | [11] | ||
4 | 0.9 | C5H11NO2 | 118.0861 (−0.7) | 116.0721 (3.5) | 72.0818 [M + H − HCOOH]+ | Betaine s | + | [10] | |
58.0676, 55.0566 | |||||||||
5 | 1.07 | C5H5N5 | 136.0717 (−0.2) | 119.0353 [M + H − H − NH3]+ | Adenine s | − | [10] | ||
92.0251 [M + H − H − NH3 − HCNN]+ | |||||||||
6 | 1.08 | C6H5NO2 | 124.0392 (−0.5) | 106.0278 [M + H − H2O]+ | Nicotinic acid s | − | |||
79.0425, 78.0348 | |||||||||
7 | 1.08 | C5H7NO3 | 130.0499 (−0.6) | 84.0461 [M + H − HCOOH]+ | l-Pyroglutamic acid s | + | [10] | ||
56.0530 [M + H − H − NH3 − HCNOOH]+ | + | ||||||||
8 | 1.13 | C9H11NO3 | 182.0806 (−3.3) | 165.0547 [M + H − H − NH3]+ | Tyrosine s | + | [10] | ||
136.0761 [M + H − HCOOH]+ | |||||||||
119.0487 [M + H − HCOOH − H2O]+ | |||||||||
91.0548 | |||||||||
9 | 1.17 | C6H13NO2 | 132.1018 (−1.1) | 86.0964 [M + H − HCOOH]+, | Isoleucine s | + | [10] | ||
69.0711 [M + H − HCOOH − NH3]+ | |||||||||
10 | 1.21 | C9H8O3 | 165.0546 (0.02) | 123.0448 [M + H − H − C2H2O]+ | p-Coumaric acid s | + | [10] | ||
95.0500 [M + H − H − C2H2O − CO]+ | |||||||||
77.0397 [M + H − H − C2H2O − CO − H2O]+ | |||||||||
65.0414 | |||||||||
11 | 1.73 | C7H6O5 | 171.0285 (−1.7) | 169.0143 (0.4) | 153.0180 [M + H − H2O]+ | 125.0253 [M − H − CO2]− | Gallic acid s | − | [10] |
107.0131 [M + H − H2O − HCOOH]+ | 79.0217 [M − H − CO2 − HCOOH]− | ||||||||
12 | 2.04 | C9H11NO2 | 164.0716 (−0.9) | 147.0438 [M − H − NH3]− | Phenylalanine s | + | [10] | ||
103.0560 [M − H − NH3 − CO2]− | |||||||||
13 | 2.54 | C8H8O4 | 167.0350 (0.2) | 123.0449 [M − H − CO2]− | Vanillic acid | − | [12] | ||
93.0358 [M − H − CO2 − OCH3]− | |||||||||
97.0283, 69.0341, 65.0399 | |||||||||
14 | 2.92 | C7H6O4 | 153.01989 (3.6) | 109.0309 [M − H − CO2]− | Protocatechuic acid | − | [13] | ||
91.0208 [M − H − CO2 − H2O]− | |||||||||
15 | 3 | C5H7NOS | 130.0316 (−3.9) | 128.0442 (1.0) | 103.0536 [M + H − HCN]+ | Epigoitrin s | − | [14] | |
84.0819 [M + H − HCOOH]+ | |||||||||
70.0657, 60.9750 | |||||||||
16 | 3.08 | C11H12N2O2 | 203.0825 (−0.4) | 142.0664 [M − H − NH3 − CO2]− | Tryptophan s | + | [10] | ||
116.0513 [M − H − NH3 − 2OCH2]− | |||||||||
17 | 3.83 | C7H6O3 | 137.0248(2.8) | 119.0145 [M − H− H2O]− | Protocatechuic aldehyde s | − | [13] | ||
108.0288 [M − H − CO]− | |||||||||
92.0284 | |||||||||
18 | 3.87 | C14H20O7 | 299.1140 (1.3) | 137.0244 [M − H − Glc]− | Salidroside s | − | [15] | ||
119.0335 [M − H − Glc − H2O]− | |||||||||
93.0357, 59.0172 | |||||||||
19 | 4.31 | C8H8O5 | 183.0300 (0.7) | 168.0065 [M − H − CH3]− | Methyl gallate s | + | [13] | ||
124.0175, 78.0136 | |||||||||
20 | 4.49 | C15H18O9 | 341.0881 (0.8) | 179.0352 [M − H − Glc]− | Caffeoylglucose | + | [13] | ||
135.0454 [M − H − Glc − CO2]− | |||||||||
21 | 4.49 | C15H14O6 | 291.0860 (−0.9) | 207.0643, 147.0439 | Catechin s | [13] | |||
139.0392, 123.0440 | |||||||||
22 | 4.55 | C16H18O9 | 355.1023 (−0.1) | 353.0878 (3.0) | 163.0386 [M + H − H − Glc − OCH2]+ | 191.0564 [M − H − Glc]− | Chlorogenic acid s | − | [16] |
145.0280, 117.0329 | |||||||||
23 | 4.77 | C17H24O9 | 373.1487 (−1.6) | Syringoside s | − | [17] | |||
24 | 4.96 | C9H8O4 | 179.035 4 (2.3) | 135.0459 [M − H − CO2]− | Caffeic acid s | + | [13] | ||
25 | 5.15 | C11H10O5 | 223.0595 (−2.5) | 221.0456 (0) | 162.0302 [M + H − H − CH3 − HCOOH]+ | 206.0213 [M − H − CH3]− | Isofraxidin s | − | [16] |
190.9989 [M − H − OCH3]− | |||||||||
177.0184 [M − H − CO2]− | |||||||||
163.0003 [M − H − OCH2 − CO]− | |||||||||
26 | 5.36 | C20H23O4N | 342.1695 (−1.3) | 340.1557 (0.8) | 297.1110 [M + H − HCN − H2O]+ | 310.1088 [M − H − OCH2]− | Magnoline | − | [14] |
282.0881 [M + H − HCN − H2O − CH3]+ | 252.0404 [M − H − CO2 − NH3 − HCNN]− | ||||||||
237.0902, 191.0848, 58.0680 | 224.0509 [M − H − CO2 − NH3 − HCNN − H2O]− | ||||||||
162.0180, 118.0288,79.9591 | |||||||||
27 | 5.51 | C19H18O11 | 423.0925 (0.7) | 421.0780 (0.8) | 405.0776 [M + H − H2O]+ | 331.0459 [M − H − HCOOH − CO2]− | Mangiferin | − | [18] |
339.0520, 327.0493, 303.0478 | 271.0253 [M − H − Xyl]− | ||||||||
285.0417 | 259.0230 [M − H − Glc]− | ||||||||
273.0395, | |||||||||
28 | 5.54 | C17H20N4O6 | 377.1450 (−1.6) | 359.1339, 243.0878, 198.0644 | Riboflavin | − | [19] | ||
29 | 5.97 | C17H20O9 | 367.1038 (0.9) | 191.0561 | 3-Feruloyquinic acid | − | [13] | ||
30 | 6.07 | C23H28O11 | 479.1569 (2) | 449.1433, 327.1081 | Paeoniflorin s | − | [20] | ||
255.0647, 165.0568, 121.0297 | |||||||||
31 | 6.08 | C9H10O5 | 197.0458 (1.4) | 169.0147, 124.0175, 78.0178 | Syringic acid s | + | |||
32 | 6.2 | C9H8O3 | 163.0400 (−0.4) | 119.0505 [M − H − CO2]− | trans-p-Coumaric acid s | + | |||
93.0352 [M − H − CO − C2H2O]− | |||||||||
33 | 6.48 | C34H46O18 | 743.2744 (−1.8) | 741.2628 (2.2) | 579.2111 [M − H − Glc]− | Eleutheroside E s | − | [13] | |
417.1579 [M − H − 2Glc]− | |||||||||
34 | 6.48 | C28H36O13 | 579.2100 (2.9) | Eleutheroside E1 | − | [13] | |||
35 | 6.82 | C10H10O4 | 193.0508 (0.8) | 178.0263 [M − H − CH3]− | Ferulic acid s | − | [13] | ||
134.0375 [M − H − CH3 − CO2]− | |||||||||
36 | 6.9 | C20H22O8 | 391.1372 (−3.9) | 389.1252 (2.7) | 229.0859 [M + H − H − Glc]+ | 227.0718 [M − H − Glc]− | Polydatin s | + | [21] |
185.0612 [M − H − Glc − C2H2O]− | |||||||||
37 | 6.91 | C14H12O3 | 229.0850 (3.9) | 227.0715 (0.7) | 183.0788 | 185.0601, 143.0508 | Resveratrol s | + | [22] |
165.0690 [M + H − H2O − HCOOH]+ | |||||||||
107.0489, 91.0540 | |||||||||
38 | 6.95 | C26H28O13 | 547.1479 (4) | 6-C-Arabinosyl-8-C-Glucosyl-Chrysin | + | [23] | |||
487.1279 | |||||||||
457.1169 [M − H − C3H6O − OCH2]− | |||||||||
427.1052 | |||||||||
409.0946, 367.0839 | |||||||||
337.0734 [M − H − Glc − OCH2]− | |||||||||
39 | 7.04 | C27H30O16 | 611.1584 (−3.6) | 609.1482 (3.8) | 465.1016 [M + H − H − Rha]+ | 301.0354 [M − H − Rha − Glc]− | Rutin s | − | [18] |
303.0501 [M + H − H − Rha − Glc]+ | 271.0228 | ||||||||
40 | 7.10 | C21H18O12 | 461.0736 (2.2) | 285.0416 [M − H − Glc acid]− | Scutellarin s | + | [18] | ||
41 | 7.19 | C21H20O12 | 463.0891 (1.9) | 301.0360 [M − H − Glc]− | Hyperoside s | + | [24] | ||
271.0250 [M − H − Glc − OCH2]− | |||||||||
255.0310 [M − H − O − Glc − OCH2]− | |||||||||
178.9998, 151.0041 | |||||||||
42 | 7.21 | C23H24O13 | 509.1271 (−3.6) | 507.1156 (2.3) | 347.0750 [M + H − H − Glc]+, | 345.0632 [M − H − Glc]− | Viscidulin III- | − | [25] |
332.0523 [M + H − H − Glc − CH3]+ | 330.0383 [M − H − Glc − CH3]− | Glucopyranoside | |||||||
314.0409 | 315.0174 [M − H − Glc − 2CH3]− | ||||||||
43 | 7.32 | C26H28O13 | 547.1479 (4.0) | 487.1279 | 6-C-Glucosyl-8-C-Arabinosyl-Chrysin | [23] | |||
457.1169 [M − H − C3H6O − OCH2]− | |||||||||
427.1052 | |||||||||
409.0946, 367.0839 | |||||||||
337.0734 [M − H − Glc − OCH2]− | |||||||||
44 | 7.41 | C21H20O13 | 479.0831 (0.1) | 441.0761, 435.0957 | Isomyricitrin | − | [26] | ||
313.0570, 165.0548 | |||||||||
45 | 7.59 | C25H24O12 | 517.1326 (−2.8) | 515.1199 (0.7) | 499.1177 [M + H − H2O]+ | 353.0889 | Cynarin | − | [13] |
163.0382 | 191.0562 | ||||||||
179.0347 | |||||||||
46 | 7.63 | C33H40O18 | 723.2144 (0.2) | Ligustroflavone s | − | [27] | |||
47 | 7.63 | C31H42O17 | 687.24992 (0.6) | 685.2372 (3.4) | 523.1831 [M − H − Glc]− | Specnuezhenide | − | [15] | |
454.1404, 421.1508 | |||||||||
299.1137, 223.0603 | |||||||||
48 | 7.74 | C20H18O11 | 435.0913 (−2) | 433.0784 (1.7) | 303.0493 [M + H − H−Arab]+ | 301.0294 [M − H − Arab]− | Quercetin-3-arabinoside | − | [23] |
271.0257 [M − H − Arab − OCH2]− | |||||||||
255.0314, 178.9989, 151.0036 | |||||||||
49 | 7.93 | C21H20O9 | 417.1169 (−2.6) | 415.1044 (2.2) | 399.1071 [M + H − H2O]+ | 325.0692 [M − H − C3H6O3]− | Chrysin-8-C-glucoside | + | [23] |
297.0758 [M + H − H − C4H8O4]+ | 295.0624 [M − H − C4H8O4]− | ||||||||
279.0639 [M + H − H − C4H8O4−H2O]+ | 267.0676 [M − H − C4H8O4 − CO]− | ||||||||
267.0644 [M + H − H − C4H8O4 − 2H2O]+ | 149.0237 | ||||||||
50 | 7.97 | C21H20O11 | 449.1063 (−3.3) | 447.0947 (3.1) | 303.0488 [M + H − H − Rha]+ | 301.0379 [M − H − Rha]− | Quercetrin s | − | [18] |
287.0549 [M + H − H − O − Rha]+ | 271.0265 [M − H − Rha − OCH2]− | ||||||||
129.0543, 85.0289 | 255.0315, 178.9983 | ||||||||
85.0286 | 151.0041 | ||||||||
51 | 8.22 | C32H38O16 | 679.2215 (−2.6) | 533.1669 [M + H − H − Rha]+ | hexandraside E | − | [14] | ||
371.1096 [M + H − H − Rha − Glc]+ | |||||||||
315.0457 [M + H − H − Rha − Glc − C4H8]+ | |||||||||
52 | 8.52 | C38H48O20 | 825.2794 (−2.1) | 663.2238 [M + H − H − Glc]+ | Diphylloside B | − | [14] | ||
517.1674 [M + H − H − Rha − Glc]+ | |||||||||
355.1199 [M + H − H − Rha−2Glc]+ | |||||||||
299.0562 [M + H − H − Rha−2Glc − C4H8]+ | |||||||||
53 | 8.53 | C26H28O11 | 517.1693 (−2.2) | 355.1169 [M + H − H − Glc]+ | Icarrin C | − | [14] | ||
299.0524 [M + H − H—Glc − C4H8]+ | |||||||||
54 | 8.58 | C21H18O11 | 447.0912 (−2.2) | 445.07858 (2.1) | 271.0595 [M + H − H − O − Glc]+ | 269.0459 [M − H − O − Glc]− | Baicalin s | + | [23] |
55 | 8.82 | C38H48O19 | 809.28357 (−3.3) | 807.2011 (0.33) | 663.2266 [M + H − H − Xyl]+ | Epimedin B | − | [14] | |
517.1687 [M + H − H − Xyl − Rha]+ | |||||||||
355.1182 [M + H − H − Xyl − Rha − Glc]+ | |||||||||
299.0542 [M + H − H − Xyl − Rha − Glc − C4H8]+ | |||||||||
56 | 8.86 | C22H22O9 | 431.1318 (−4.2) | 429.1101 (0.3) | 269.0802 [M + H − H − Glc]+ | Ononin | − | ||
57 | 8.87 | C21H22O9 | 417.1191 (0) | 255.0678 [M − H − Glc]− | Polygonimitin B | [18] | |||
211.0773 [M − H − Glc − CO2]− | |||||||||
58 | 8.89 | C21H20O11 | 449.1063 (−3.3) | 447.0946 (3.1) | 303.0488 [M + H − H − Rha]+ | 301.0379 [M − H − Rha]− | Isoquercetrin | − | |
287.0549 [M + H − H − O − Rha]+ | 271.0265 [M − H − Rha − CH2]− | ||||||||
129.0543,85.0289 | 255.0315,178.9983 | ||||||||
59 | 8.9 | C32H38O15 | 663.2265 (−2.7) | 661.2169 (4.7) | 517.1667 [M + H − H − Rha]+ | 515.1907 | Epimedoside A | − | |
355.1180 [M + H − H − Rha − Glc]+ | 353.1050 | ||||||||
299.0559 [M + H − H − Rha − Glc − C4H8]+ | |||||||||
60 | 9.0 | C17H14O8 | 347.0751 (−3.1) | 332.0523, 317.0288, 314.0414 | Viscidulin III | − | [23] | ||
289.0340, 169.0125 | |||||||||
61 | 9.04 | C39H50O20 | 839.2967 (−0.2) | 677.2346 [M + H − H − Glc]+ | Epimedin A | − | |||
531.1881 [M + H − H − Glc − Rha]+ | |||||||||
369.1342 [M + H − H − 2Glc − Rha]+ | |||||||||
313.0691 [M + H − H − 2Glc − Rha − C4H8]+ | |||||||||
62 | 9.15 | C33H40O16 | 693.2365 (−3.4) | 547.1791 [M + H − H − Rha]+ | anhydroicaritin | − | [14] | ||
531.1895 [M + H − H − Glc]+ | -3,7-di-O-glucoside | ||||||||
385.1284 [M + H − H− Rha − Glc]+ | |||||||||
369.1321 [M + H − H − O − Rha − Glc]+ | |||||||||
313.0687 [M + H − H − O − Rha − Glc − C4H8]+ | |||||||||
63 | 9.15 | C30H32O13 | 599.1787 (2.8) | 581.1699 [M − H − H2O]− | Benzoyloxypaeoniflorin | − | [20] | ||
477.1593 [M − H − C7H6O2]− | |||||||||
449.7983 [M − H − C7H6O2 − CO]− | |||||||||
431.1372 [M − H − H2O − Xyl]− | |||||||||
281.0676 [M − H − H2O − Xyl − C5H10O5]− | |||||||||
64 | 9.45 | C22H22O10 | 447.1269 (−3.8) | 445.1143 (0.6) | 285.0757 [M + H − H − Glc]+, | 430.0906 [M − H − CH3]− | Wogonin-7-O-glucoside | − | [23] |
270.0526 [M + H − H − Glc − CH3]+ | 268.0456 [M − H − CH3 − Glc]− | ||||||||
65 | 9.51 | C22H20O12 | 477.1026 (−2.3) | 475.0892 (2) | 301.0706 [M + H − H − Glucuronic acid]+ | 299.0573 [M − H − Glucuronic acid]− | 5,4′-Dihydroxy-8-methoxy-flavone-7-O-glucuronide | + | [23] |
286.0470 [M + H − H − Glucuronic acid − CH3]+ | 284.0324 [M − H − Glucuronic acid − CH3]− | ||||||||
66 | 9.8 | C15H10O7 | 301.0356 (0.9) | 273.0396 [M − H − CO]− | Quercetin | − | [18] | ||
245.0407 [M − H − CO − H2O]− | |||||||||
178.9978 | |||||||||
151.0035, 121.0292 | |||||||||
107.0144 | |||||||||
67 | 9.9 | C21H18O11 | 447.0919 (−0.7) | 271.0595 | Baicalein-6-O-glucuronide | + | [23] | ||
68 | 9.96 | C11H12O4 | 207.0667 (2.1) | 179.0345, 135.0469 | Ethyl Caffeate s | [23] | |||
69 | 9.99 | C22H22O11 | 461.1088 (−0.4) | 459.0949 (3.4) | 285.0759, 270.0522 | 283.0624, 268.0387, 175.0256, 113.0261 | Wogonoside s | − | [23] |
70 | 10.03 | C22H20O11 | 461.1069 (−2) | 459.0949 (3.4) | 285.0759 [M + H − H − Glucuronic acid]+ | 283.0624 [M − H − Glucuronic acid]− | Oroxyloside s | + | [23] |
270.0522 [M + H − H − Glucuronic acid − CH3]+ | 268.0387 [M − H − Glucuronic acid − CH3]− | ||||||||
71 | 10.33 | C39H50O19 | 823.30066 (−1.5) | 677.2421 [M + H − H − Rha]+ | Epmedin C | − | [14] | ||
531.1840 [M + H − H−2Rha]+ | |||||||||
369.1326 [M + H − H−2Rha − Glc]+ | |||||||||
313.0708 [M + H − H−2Rha − Glc − C4H8]+ | |||||||||
72 | 10.34 | C27H30O11 | 531.1846 (−2.8) | 369.1326 [M + H − H − Glc]+ | Icariside I s | − | [14] | ||
313.0695 [M + H − H − Glc − C4H8]+ | |||||||||
73 | 10.55 | C33H40O15 | 677.24256 (−2.1) | 675.2326 (4.7) | 531.1847 [M + H − H − Rha]+ | 367.1099 | Icariin s | + | [14] |
369.1332 [M + H − H − Rha − Glc]+ | 269.0461 [M − H − Rha − Glc]− | ||||||||
313.0712 [M + H − H − Rha − Glc − C4H8]+ | |||||||||
74 | 11.3 | C9H10O3 | 165.0557 (0) | 150.0333 [M − H − CH3]− | Paeonol s | + | [28] | ||
135.0094 [M − H − OCH2]− | |||||||||
122.0385, 91.0208 | |||||||||
75 | 11.44 | C15H10O6 | 285.0407 (0.8) | 241.0517 [M − H − CO2]− | Kaempferol s | + | [18] | ||
211.0408 [M − H − CO2−OCH2]− | |||||||||
195.0463,167.0509 | |||||||||
76 | 11.56 | C16H12O6 | 299.0563 (0.7) | 284.0327 [M − H − CH3]− | 5,7,4’-Trihydroxy-8- | − | [23] | ||
240.0424 [M − H − CH3 − CO2]− | methoxyflavone | ||||||||
171.0452,153.9909 | |||||||||
125.9968 | |||||||||
77 | 11.59 | C16H12O7 | 315.0510 (0) | 300.0279 [M − H − CH3]− | Isorhamnetin s | + | [29] | ||
282.0178 [M − H − CH3 − H2O]− | |||||||||
255.0240, 151.0016 | |||||||||
78 | 11.71 | C32H38O15 | 663.3011 (3.1) | 661.2163 (−3.5) | 517.1667 [M + H − HCOOH]+ | 353.0978 [M − H − Rha − Glc]− | Ikarisoside B | + | [26] |
355.1165 [M + H − H − Rha − Glc]+ | |||||||||
299.0599 [M + H − H − Rha − Glc − C4H8]+ | |||||||||
79 | 11.73 | C15H10O5 | 271.0597 (−1.6) | 269.0456(1.9) | 253.0500 [M + H − H2O]+ | 251.036 [M − H − H2O]− | Baicalein s | + | [23] |
123.0080 | 223.0407, 169.0664 | ||||||||
80 | 12.15 | C31H36O14 | 631.2050 (2.8) | 481.1616 [M − H − Xyl]− | Ikarisoside F | + | [26] | ||
353.1076, 352.0928, 341.0528 | |||||||||
81 | 12.37 | C16H12O4 | 269.0805 (−1.2) | 267.0664 (0.4) | 254.0576, 237.0532 | 252.0430, 223.0396, 195.0445 | Formononetin s | − | [10] |
197.0599 | 132.0221 | ||||||||
181.0644, 118.0416 | |||||||||
82 | 12.65 | C26H28O10 | 501.1744 (−2.3) | 499.1618 (1.6) | 355.1169 [M + H − H − Rha]+ | 353.1043 [M − H − Rha]− | Baohuoside II s | + | [14] |
299.0559 [M + H − H − Rha − C4H8]+ | 309.0445 [M − H − Rha − CO2]− | ||||||||
147.0645,129.0533 | |||||||||
83 | 13.34 | C33H40O15 | 677.2417 (−3.4) | 675.2326 (4.7) | 531.1847 [M + H − H − Rha]+ | 367.1099 [M − H − Rha − Glc]− | Baohuoside VII | + | [26] |
369.1324 [M + H − H − Rha − Glc]+ | 352.0997 | ||||||||
313.0712 [M + H − H − Rha − Glc − C4H8]+ | |||||||||
84 | 13.49 | C43H70O15 | 827.4768 (−2.3) | 455.3660, 437.335 | Astragaloside II | − | [10] | ||
175.0610,157.0474,143.1087 | |||||||||
85 | 13.74 | C42H68O13 | 781.4736 (0.4) | 745.4447 | Saikosaponin a | − | [30] | ||
619.4203, 583.3921 | |||||||||
455.3486, 437.3374 | |||||||||
419.3231 | |||||||||
86 | 13.79 | C16H12O5 | 285.0754 (−1.3) | 283.0615 (0.9) | 270.0514 [M + H − H − CH3]+ | 268.0380 [M − H − CH3]− | Wogonin s | + | [23] |
179.0488 | 163.0036 | ||||||||
87 | 13.80 | C32H38O14 | 647.2323 (−1.7) | 501.1726 [M + H − H − Rha]+ | Sagittatoside B | + | [26] | ||
465.1557 [M + H − H − Rha − HCOOH]+ | |||||||||
409.0917, 355.1171 | |||||||||
299.0594 | |||||||||
88 | 13.81 | C16H12O5 | 285.0754 (−1.3) | 283.0615 (0.9) | 270.0514 [M + H − H − CH3]+ | 268.0380 [M − H − CH3]− | Oroxylin A s | + | [23] |
179.0488 | 163.0036 | ||||||||
89 | 13.82 | C32H38O14 | 647.2323 (−1.7) | 629.2323, 501.1726, | 2′′-O–Rhamnosyl-ikarisoside A | [26] | |||
465.1557, 355.1171, 299.0059 | |||||||||
90 | 13.9 | C33H40O14 | 661.2470 (−3.1) | 659.2374 (4.4) | 515.1897 [M + H − H − C6H10O4]+ | 366.1127 | 2′′-O-Rhamnosyl-ikariside II | + | [14] |
369.1333, 355.0809, 313.0703 | |||||||||
91 | 13.96 | C15H10O4 | 255.0642 (−3.9) | 253.0708 (0.7) | 153.0177 [M + H − H − C5H8O − H2O]+ | 209.0609 [M − H − CO2]− | Chrysin s | + | [23] |
103.0544 | 143.0505, 63.0276 | ||||||||
92 | 14.01 | C17H14O6 | 315.0856 (−2.3) | 313.0718 (0.2) | 300.0618, 285.0396 | 298.0485, 283.0252, 211.0396 | Kumatakenin | [29] | |
257.0440, 182.9919, 154.9964 | 155.0506 | ||||||||
93 | 14.5 | C24H32O7 | 433.2215 (−1.3) | 415.2106 [M + H − H2O]+ | Schisandrin s | + | [31] | ||
400.1869 [M + H − H2O − CH3]+ | |||||||||
384.1923 [M + H − H − OCH3 − H2O]+ | |||||||||
359.14907 [M + H − H2O − C4H8]+ | |||||||||
315.1223 | |||||||||
94 | 14.63 | C27H30O10 | 515.1901 (−2) | 513.1780 (2.7) | 369.1321 [M + H − H − Rha]+ | 367.1134 [M − H − Rha]− | Icarisid II s | + | [14] |
313.0700 [M + H − H − Rha − C4H8]+ | 351.0882 [M − H − O − Rha]−, 323.0912 | ||||||||
95 | 15.2 | C45H72O16 | 869.4881 (−1.4) | 689.4234, 437.3396 | Astragaloside I s | − | [10] | ||
217.0720, 157.0506, 143.1059 | |||||||||
96 | 15.5 | C23H28O7 | 417.1890 (−4.2) | 399.1815 [M + H − H2O]+ | Schisandrol B | − | [31] | ||
384.1501 [M + H − H2O − CH3]+ | |||||||||
368.1618 [M + H − H2O−OCH3]+ | |||||||||
357.1394 [M + H − H2O − C3H6]+ | |||||||||
343.1187 [M + H − H2O − C4H8]+ | |||||||||
97 | 16.02 | C30H48O5 | 489.3566 (−1.8) | 487.3434 (1) | 453.3324 [M + H − H − 2H2O]+ | 469.3361 [M − H − H2O]− | Tormentic acid | + | [15] |
407.3254 [M + H − HCOOH−2H2O]+ | 407.1533 | ||||||||
201.1702, 127.0767 | |||||||||
98 | 16.07 | C21H20O6 | 369.1323 (−2.6) | 313.0693 | Icaritin | − | [14] | ||
99 | 16.08 | C15H10O5 | 271.0596 (−2) | 269.0460 (1.5) | 225.0560, 241.0514, 197.0608, 182.0375 | Emodin s | + | [18] | |
100 | 17.88 | C23H30O6 | 403.2112 (−0.8) | 388.1848 [M + H − H − CH3]+, | Schisanhenol | − | [31] | ||
372.1919 [M + H − H − OCH3]+ | |||||||||
371.1859 [M + H − H − CH3OH]+ | |||||||||
333.1326, 302.1149 | |||||||||
101 | 19.09 | C28H34O9 | 515.2264 (−2.3) | 415.2009 [M + H − H − C4H6COOH]+ | Schisantherin B | − | [31] | ||
385.1637 [M + H − H − C4H6COOH − OCH2]+ | |||||||||
355.1534, 343.1160, 316.0939 | |||||||||
102 | 20.31 | C24H32O6 | 417.2259 (−3) | 402.1999 [M + H − H − CH3]+ | Schizandrin A s | − | [31] | ||
386.2059 [M + H − H − OCH3]+ | |||||||||
347.1480 [M + H − H − C5H10]+ | |||||||||
316.1289 [M + H − H − C5H10 − OCH3]+ | |||||||||
301.1058, 285.1104, 273.1091, 242.0911 | |||||||||
103 | 21.3 | C23H28O6 | 401.1948 (−2.6) | 386.1728 [M + H − H − CH3]+ | γ-Schizandrin B s | − | [31] | ||
331.1168 [M + H − H − C5H10]+ | |||||||||
300.0987, 242.0929 | |||||||||
104 | 21.87 | C22H24O6 | 385.1638 (−1.9) | 355.1561 [M + H − H − OCH2]+ | Schizandrin C | − | [31] | ||
315.0895 [M + H − H − C5H10]+ | |||||||||
285.0757 [M + H − H − C5H10−OCH2]+ | |||||||||
257.0809, 242.0588, 227.0703, 153.0663 | |||||||||
105 | 22.98 | C32H50O5 | 515.3723 (−1.6) | 513.3594 (1.7) | 409.3466, 191.1793 | 495.3496 [M − H − H2O]− | 19α−Hydroxyl−3−acetyl ursolic acid | − | [15] |
469.3720 [M − H − CO2]− | |||||||||
106 | 23.56 | C30H48O3 | 455.3537 (1.3) | Oleanic acid s | − | [15] | |||
107 | 23.73 | C30H48O3 | 455.3537 (1.3) | Ursolic acid | − | [15] |
“s” Identified with reference compounds; “+”: detected and “−”not detected.