Table 4.
Compounds in TWMM detected by LC/MS in negative ion mode.
| No. | RT (min) |
Formula | [M − H]− (m/z) |
Identification | Mass error (ppm) |
MS2 fragments |
|---|---|---|---|---|---|---|
| 39 | 0.89 | C4H5O5 | 133.0131 | Malic acid | –0.374 | 133.0131,71.0125 |
| 40 | 1.94 | C8H7O4 | 167.0343 | Vanillic acid | 2.483 | 123.0440,81.0330 |
| 41 | 2.29 | C16H23O10 | 375.1302 | Loganic acid or isomer | 4.336 | 113.0233,101.0233,85.0283,71.0125,59.0126,343.1819,304.3728, 280.5988,186.9071 |
| 42* | 2.46 | C8H9O3 | 153.0550 | Hydroxytyrosol | 2.478 | 126.9022,123.0440,122.0362,108.0204,96.9588,95.0492 |
| 43 | 2.70 | C16H23O10 | 375.1302 | Loganic acid or isomer | 1.627 | 151.0749,113.0229,101.0232,85.0279,71.0125,59.0126 |
| 44 | 2.87 | C16H17O9 | 353.0887 | Neochlorogenic acid | 5.640 | 191.0554,179.0342,173.0451,161.0233,155.0337, 135.0440,133.0282 |
| 45* | 2.94 | C14H19O7 | 299.1139 | Salidroside | 4.582 | 113.0232,101.0232,89.0231,162.8383, 126.8801,119.0491,71.0125,59.0125 |
| 46 | 3.38 | C21H27O13 | 487.1470 | Cistanoside F | 4.891 | 245.0459,203.0345,179.0342,161.0234,135.0440,113.0231 |
| 47 | 3.56 | C10H13O5 | 213.0764 | Nuzhenal A or isomer | 3.051 | 215.0094,171.0195,144.0080,122.8930,61.9870,59.0125 |
| 48 | 3.76 | C7H5O3 | 137.0241 | Protocatechualdehyde | 5.324 | 137.0240,119.0112,93.0333,136.0155,108.0204,66.0366, 61.9870 |
| 49 | 5.27 | C16H17O9 | 353.0887 | Chlorogenic acid | 5.640 | 191.0554,179.0342,161.0233,135.0436,127.0389,102.9473, 85.0282 |
| 50 | 5.72 | C17H19O9 | 367.1036 | 3-O-Feruloylquinic acid | 3.382 | 193.0500,134.0362 |
| 51 | 6.06 | C16H17O9 | 353.0887 | Cryptochlorogenic acid | 5.640 | 191.0555,179.0342,173.0448,161.0237,155.0339, 135.0440,111.0440,93.0332 |
| 52 | 6.17 | C9H7O4 | 179.0343 | Caffeic acid | 2.317 | 143.8641,141.8670,135.0441,134.0361, 107.0489,103.9190,99.9245,90.9232 |
| 53 | 9.12 | C16H23O10 | 375.1302 | Loganic acid or isomer | 1.627 | 85.0282,59.0123 |
| 54 | 10.36 | C9H7O3 | 163.0393 | Coumaric acid | 2.020 | 119.0491,108.9363,93.0333 |
| 55 | 15.38 | C21H19O12 | 463.0899 | Isoquercetin | 5.976 | 463.0899,301.0351,300.0275 |
| 56 | 15.75 | C35H45O20 | 785.2507 | Echinacoside | 1.019 | 785.2507,179.0344,161.0235,623.6187,398.2031,244.7829 |
| 57 | 16.65 | C25H31O14 | 555.1724 | 10-Hydroxyoleuropein/ligustalosideA | 2.824 | 223.0593,151.0391,101.0229,89.0230,538.7717,431.5094, 367.6147,330.2907,274.4666,59.0124 |
| 58 | 18.33 | C25H29O15 | 569.1519 | Oleuropeinic acid | 3.169 | 363.1089,331.0827,221.0084,209.0451, 177.0184,151.0391,133.0286,123.0440,195.0293 |
| 59 | 19.02 | C27H29O16 | 609.1462 | Rutin | 2.017 | 609.1462,301.0349,300.0276,394.4090, 343.0453,302.0385,178.9981 |
| 60 | 19.53 | C21H19O12 | 463.0887 | Hyperoside | 3.450 | 300.0277,271.0255,255.0313,178.9990,151.0028 |
| 61 | 19.57 | C31H41O18 | 701.2300 | Neonuzhenide | 1.767 | 539.1758,469.1359,135.0440,101.0230, 701.2300,437.1450,315.1085 |
| 62* | 19.94 | C21H19O11 | 447.0939 | Luteolin-7-O-glucoside | 3.830 | 447.0939,285.0405,327.0508,286.0441,284.0328 |
| 63 | 20.28 | C34H43O19 | 755.2415 | Forsythoside B | 1.224 | 593.2094,179.0337,161.0233 |
| 64* | 21.99 | C29H35O15 | 623.1981 | Verbascoside | 1.626 | 623.1981,461.1670,315.1082,179.0338, 161.0236,135.0441,113.0232 |
| 65 | 23.26 | C25H29O14 | 553.1572 | Ligustrosidic acid | 3.648 | 347.1141,329.1022,315.0883,235.0255, 209.0450,195.0293,177.0186,151.0392,101.0230 |
| 66* | 23.94 | C31H41O17 | 685.2358 | Specnuezhenide | 2.881 | 523.1809,453.1404,421.1508,299.1136, 223.0606,181.0498,179.0555,121.0283,89.0231 |
| 67 | 24.07 | C27H29O14 | 577.1570 | Apigenin-7-O-rutinoside | 3.115 | 577.1570,269.0457,516.5734,383.2473,311.0563, 270.0490,171.9616 |
| 68 | 24.69 | C21H19O10 | 431.0985 | Apigenin-7-O-glucoside | 2.939 | 431.0985,269.0445,268.0378,311.0562,197.8080,160.8412 |
| 69* | 29.45 | C25H31O13 | 539.1780 | Oleuropein | 3.863 | 345.0996,327.0869,307.0824,275.0928, 223.0607,191.0342,153.0544, 149.0234,139.0389,119.0377 |
| 70 | 34.01 | C27H35O14 | 583.2039 | [M-H + HCOOH]-ligulucidumosideA | 3.031 | 403.1255,223.0605,151.0390,123.0441, 101.0233,351.1075,319.0839,179.0547 |
| 71* | 34.49 | C16H11O5 | 283.0617 | Physcion | 5.653 | 240.0419,268.0377,239.0345,211.0395,184.0522,148.0156 |
| 72 | 34.66 | C31H39O15 | 651.2278 | Martynoside | –0.870 | 475.1821,193.0499,175.0393,160.0155 |
| 73 | 34.86 | C25H31O12 | 523.1827 | Ligustroside | 3.244 | 291.0876,259.0979,223.0607,171.0294,139.0394,101.0232, 89.0229 |
| 74 | 35.10 | C15H9O6 | 285.0408 | Luteoline | 4.931 | 285.0408,175.0393,151.0026,133.0280,107.0126,268.0375, 162.8384 |
| 75 | 35.68 | C33H43O18 | 727.2466 | Acetylnicotiflorine | 3.038 | 495.1502,341.1252,299.1148,281.1036,223.0607,121.0280, 89.0229,611.7267,463.1580 |
| 76 | 36.36 | C25H27O12 | 519.1516 | 6′-O-trans-Cinnamoyl-8-epikingisidicacidor isomer | 3.655 | 189.0554,183.0653,165.0550,161.0559, 147.0441,121.0647,69.0332,59.0125 |
| 77* | 36.90 | C48H63O27 | 1071.3563 | Oleonuezhenide | 1.118 | 523.1824,453.1409,299.1137,223.0608, |
| 78 | 37.14 | C30H25O13 | 593.1309 | Tiliroside | 3.191 | 593.1309,447.0937,285.0403 |
| 79 | 37.34 | C48H63O27 | 1071.3567 | Oleonuezhenide or isomer | 1.463 | 523.1823,453.1409,421.1511,299.1137,223.0610 |
| 80 | 38.12 | C15H9O5 | 269.0459 | Apigenin | 5.390 | 269.0459,201.0550,183.0446,151.0027,149.0234, 117.0333,107.0125 |
| 81* | 39.33 | C42H69O16 | 829.4594 | Astragaloside IV | 1.613 | 829.4594,783.4568 |
| 82 | 39.70 | C10H13O5 | 213.0764 | Nuzhenal A or isomer | 3.051 | 215.0093,122.8930,171.0191,144.0081,61.9871 |
| 83* | 39.87 | C44H71O17 | 871.4654 | Astragaloside II | –3.657 | 871.4654,825.4614 |
| 84 | 40.14 | C48H77O18 | 941.5126 | Soyasaponin I | 2.324 | 941.5126,705.7660,116.9273 |
| 85* | 40.48 | C44H71O17 | 871.4692 | Isoastragaloside II | 0.692 | 871.4692,825.4577 |
| 86* | 41.48 | C46H73O18 | 913.4818 | Astragaloside I | 2.921 | 913.4818,867.4780 |
| 87 | 41.79 | C46H73O18 | 913.4813 | IsoastragalosideI | 2.319 | 913.4813,867.4747 |
| 88 | 41.92 | C30H47O5 | 487.3441 | Tormentic acid | 4.635 | 487.3441,488.3474,470.3380,469.3336,425.3817, 394.9604,324.6631,274.6215,113.2870 |
| 89 | 44.28 | C39H53O7 | 633.3798 | 3-O-cis-p-Coumaroyltormentic acid/3-O-trans-p-Coumaroyltormentic acid | 1.862 | 633.3798,145.0280,580.6879,461.3018, 365.2326,162.8382,116.9270 |
| 90 | 46.08 | C39H53O6 | 617.3853 | 3β-O-trans-p-Coumaroylmaslinicacidor isomer/3β-O-cis-p-Coumaroylmaslinicacidor isomer | 1.886 | 617.3848,145.0286,412.5469,315.0490,303.2346,241.0108 |
*Compounds identified by comparison with reference standards.