Table 1.
An in-house ginsenoside library of 58 reference compounds.
| No. | Trivial name | Precursors (m/z) |
Formula | tR-2D(min) | tR-1D(min) | Mass error (ppm) | CCS (Å2) [M − H]- |
CCS (Å2) [M + HCOO]- |
Adducts | ESI-MS2 |
|---|---|---|---|---|---|---|---|---|---|---|
| 1 | Ginsenoside F1 | 683.4380 | C36H62O9 | 16.29 | 6.59 | 0.7 | – | 271.06/386.89 | +HCOO | 637.4306, 475.3681, 391.2841 |
| 2 | Ginsenoside Rh1 | 683.4378 | C36H62O9 | 12.32 | 6.43 | 0.4 | – | 275.43/375.25 | +HCOO | 637.4271, 475.3785, 391.2797 |
| 3 | 20(R)-Ginsenoside Rh1 | 683.4384 | C36H62O9 | 13.23 | 6.30 | 1.1 | – | 278.70 | +HCOO | 637.4308, 475.3783, 391.2843 |
| 4 | Compound I | 725.4481 | C38H64O10 | 19.93 | 4.64 | −0.08 | – | 289.38/402.39 | +HCOO | 679.4417, 637.4311, 475.3789, 391.2856 |
| 5 | Ginsenoside F3 | 815.4807 | C41H70O13 | 12.45 | 12.47 | 1.1 | – | 297.21 | +HCOO | 769.4730, 621.4359, 475.3781, 391.2836 |
| 6 | Sanchinoside A3 | 815.4819 | C41H70O13 | 8.35 | 11.86 | 2.3 | – | 234.11/291.63 | +HCOO | 769.4743, 637.4315, 475.3788 |
| 7 | Ginsenoside F5 | 815.4779 | C41H70O13 | 11.87 | 10.73 | −2.5 | – | 307.79/426.08 | +HCOO | 769.4719, 637.4299, 475.3778, 391.2846 |
| 8 | Compound II | 815.4790 | C41H70O13 | 8.33 | 12.91 | −1.1 | – | 236.08/299.66 | +HCOO | 637.4301, 475.3788, 391.2850 |
| 9 | Pseudoginsenoside Rt3 | 815.4799 | C41H70O13 | 7.78 | 11.81 | 0.07 | – | 238.40/298.86 | +HCOO | 769.4740, 607.4213, 475.3795, 391.2854 |
| 10 | Notoginsenoside R2 | 815.4808 | C41H70O13 | 11.03 | 11.65 | 1.2 | 294.50 | 296.37 | +HCOO | 769.4728, 637.4303, 475.3778, 391.2840 |
| 11 | 20(R)-Notoginsenoside R2 | 815.4810 | C41H70O13 | 11.98 | 12.86 | 1.4 | 298.89 | 301.22 | +HCOO | 769.4737, 637.4296, 475.3781, 391.2841 |
| 12 | Ginsenoside Rg2 | 829.4966 | C42H72O13 | 12.07 | 10.95 | 1.3 | – | 298.75 | +HCOO | 783.4885, 637.4307, 475.3779, 391.2841 |
| 13 | Ginsenoside Rg1 | 845.4914 | C42H72O14 | 6.50 | 14.90 | 1.2 | – | 240.98/294.03 | +HCOO | 799.4834, 637.4307, 475.3772, 391.2841 |
| 14 | Ginsenoside Rf | 845.4914 | C42H72O14 | 10.13 | 15.21 | 1.1 | 301.07 | 303.38 | +HCOO | 799.4836, 637.4308, 475.3781, 391.2842 |
| 15 | Notoginsenoside Rt | 887.4988 | C44H74O15 | 7.16 | 20.20 | −2.5 | 239.88/303.30 | 241.15/315.54 | +HCOO | 841.4943, 781.4727, 637.4306, 619.4201, 475.3788, 391.2847 |
| 16 | Notoginsenoside R1 | 977.5340 | C47H80O18 | 5.90 | 23.77 | 1.4 | 244.07/311.36 | 319.37 | +HCOO, –H, +Cl | 931.5251, 799.4835, 637.4302, 475.3776, 391.2838 |
| 17 | Notoginsenoside Fp1 | 977.5302 | C47H80O18 | 5.88 | 25.45 | −2.7 | – | 320.58 | +HCOO, –H | 931.5222, 799.4813, 637.4301, 475.3776, 391.2841 |
| 18 | Ginsenoside Re | 991.5497 | C48H82O18 | 6.52 | 22.39 | 1.4 | 247.70/320.49 | 252.01/323.99 | +HCOO, –H, +Cl | 945.5409, 783.4883, 637.4307, 475.3772, 391.2841 |
| 19 | Vinaginsenoside R4 | 1007.5456 | C48H82O19 | 8.93 | 27.85 | 2.4 | 326.03 | 261.01/330.29 | +HCOO,–H,+Cl | 961.5373, 799.4845, 637.4310, 619.4213, 475.3785, 391.2846 |
| 20 | 20-O-Glucosylginsenoside Rf | 1007.5408 | C48H82O19 | 5.56 | 28.73 | −2.4 | 246.92/327.81 | 257.92/330.44 | +HCOO,–H,+Cl | 961.5331, 799.4817, 637.4294, 475.3784, 391.2842 |
| 21 | Notoginsenoside N | 1007.5423 | C48H82O19 | 5.08 | 26.02 | 0.9 | 196.35/251.23/330.04 | 262.87/332.94 | +HCOO, –H | 961.5352, 799.4836, 619.4211, 475.3790, 391.2851 |
| 22 | Ginsenoside Re2 | 1007.5405 | C48H82O19 | 5.98 | 26.18 | −2.8 | 245.92/322.41 | 322.22 | +HCOO | 961.5334, 799.4823, 637.4304, 475.3783, 391.2846 |
| 23 | Ginsenoside Re3 | 1007.5407 | C48H82O19 | 5.77 | 26.10 | −2.5 | 261.08/329.06 | 270.98/330.42 | +HCOO | 961.5333, 799.4826, 637.4298, 475.3780.391.2843 |
| 24 | Malonyl-floralginsenoside Re1 | 1031.5447 | C51H84O21 | 7.62 | 27.14 | 1.4 | 242.27/320.37 | – | –H | 945.5419, 927.5315, 799.4845, 783.4894, 637.4311, 475.3782, 391.2842 |
| 25 | Ginsenoside Rh2 | 667.4431 | C36H62O8 | 32.21 | 4.83 | 0.6 | – | 287.43 | +HCOO | 621.4360, 459.3832, 375.2896 |
| 26 | 20(R)-ginsenoside Rh2 | 667.4422 | C36H62O8 | 32.45 | 4.81 | −0.4 | 285.54 | 293.98/392.62 | +HCOO | 621.4375, 459.3851, 375.2905 |
| 27 | Compound K | 667.4417 | C36H62O8 | 31.65 | 5.21 | −1.5 | 271.98 | 276.41/388.49 | +HCOO | 621.4371, 459.3840, 375.2897 |
| 28 | Ginsenoside F2 | 829.4967 | C42H72O13 | 25.39 | 11.81 | 1.4 | – | 237.83/302.56 | +HCOO | 783.4886, 621.4359, 459.3832, 375.2890 |
| 29 | 20(S)-ginsenoside Rg3 | 829.4960 | C42H72O13 | 26.70 | 11.67 | 0.7 | – | 300.13 | +HCOO | 783.4880, 621.4355, 459.3827, 375.2891 |
| 30 | 20(R)-ginsenoside Rg3 | 829.4965 | C42H72O13 | 27.06 | 11.47 | 1.3 | – | 295.66 | +HCOO | 783.4889, 621.4360, 459.3831, 375.2892 |
| 31 | Notoginsenoside K | 991.5504 | C48H82O18 | 21.78 | 23.91 | 2.1 | 317.16 | 255.23/320.25 | +HCOO | 945.5428, 783.4876, 621.4359, 459.3838, 375.2896 |
| 32 | Ginsenoside Rd | 991.5503 | C48H82O18 | 19.49 | 22.58 | 2.0 | 251.66/324.56 | 328.04 | +HCOO | 945.5419, 783.4883, 621.4362, 459.3833, 375.2893 |
| 33 | Gypenoside XVII | 991.5457 | C48H82O18 | 21.78 | 23.80 | 2.7 | – | 258.01/328.27 | +HCOO | 945.5398, 783.4894, 621.4359, 459.3839, 375.2895 |
| 34 | Malonyl-floralginsenoside Rd5 | 1031.5453 | C51H84O21 | 20.44 | 23.61 | 2.0 | 261.14/344.17 | – | –H | 945.5426, 783.4905, 621.4380, 459.3852, 375.2907 |
| 35 | Malonyl-ginsenoside Rd | 1031.5457 | C51H84O21 | 20.41 | 24.04 | 2.4 | 334.76 | – | –H | 945.5412, 837.4073, 537.3445, 459.3826, 375.2895 |
| 36 | Ginsenoside Rb2 | 1123.5926 | C53H90O22 | 15.52 | 32.47 | 1.8 | 214.02/261.33/350.66 | 354.12/268.17 | +HCOO | 945.5417, 783.4887, 621.4360, 459.3830, 375.2894 |
| 37 | Ginsenoside Rb3 | 1123.5917 | C53H90O22 | 16.13 | 32.71 | 1.0 | 214.60/263.11/348.50 | 351.23 | +HCOO | 1077.5832, 945.5408, 783.4883, 621.4355, 459.3827 |
| 38 | Ginsenoside Rc | 1123.5923 | C53H90O22 | 13.94 | 30.01 | 1.5 | 215.10/261.54/341.14 | 343.52 | +HCOO | 1077.5841, 945.5419, 783.4887, 621.4357, 459.3831, 375.2726 |
| 39 | Ginsenoside Rb1 | 1153.6031 | C54H92O23 | 12.59 | 35.37 | 1.7 | 220.30/269.70/347.86 | 349.94 | +HCOO | 1107.5947, 945.5414, 783.4887, 621.4359, 459.3836, 375.2893 |
| 40 | Malonyl-ginsenoside Rc | 1163.5873 | C56H92O25 | 14.92 | 29.28 | 1.5 | 261.84/343.84 | – | –H | 1077.5842, 945.5413, 783.4887, 621.4361, 459.3834, 375.2894 |
| 41 | Malonyl-ginsenoside Rb2 | 1163.5869 | C56H92O25 | 16.58 | 31.13 | 1.2 | 264.96/353.80 | – | –H | 1077.5839, 945.5418, 783.4886, 621.4356, 459.3832, 375.2890 |
| 43 | Malonyl-ginsenoside Rb1 | 1193.5924 | C57H94O26 | 13.42 | 33.79 | −3.0 | 265.56/354.80 | – | –H | 1107.5916, 945.5397, 783.4877, 621.4357, 459.3831 |
| 36 | Ginsenoside Ra1 | 1209.6246 | C58H98O26 | 13.95 | 37.57 | −2.3 | 285.34/357.56 | – | –H | 1077.5819, 945.5401, 783.4885, 621.4361, 459.3838, 375.2898 |
| 44 | Ginsenoside Ra2 | 1255.6291 | C58H98O26 | 12.16 | 37.01 | −3.0 | 226.42/286.51/360.09 | 360.16 | +HCOO | 1209.6218, 1077.5805, 945.5397, 783.4883, 621.4362, 459.3834, 375.2897 |
| 45 | Notoginsenoside R4 | 1285.6453 | C59H100O27 | 10.30 | 39.65 | 1.5 | 227.71/279.113/364.62 | 286.08/366.79 | +HCOO | 1239.6371, 1107.5945, 945.5410, 783.4888, 621.4361, 459.3828, 375.2888 |
| 46 | Notoginsenoside T | 1371.6899 | C64H108O31 | 9.52 | 42.99 | 1.9 | 240.44/292.74/386.76 | – | –H | 1239.6380, 1107.5952, 945.5420, 783.4892, 621.4363, 459.3835, 375.2893, 353.1076 |
| 47 | Chikusetsusaponin IVa | 793.4382 | C42H66O14 | 18.52 | 13.75 | 0.3 | 181.65/219.46/283.64 | – | –H | 631.3833, 455.3516 |
| 48 | Chikusetsusaponin IV | 925.4795 | C47H74O18 | 16.71 | 14.09 | −0.8 | 194.61/248.74/328.11 | – | –H | 793.4378, 613.3742, 455.3531 |
| 49 | Pseudoginsenoside Rt1 | 925.4783 | C47H74O18 | 15.99 | 17.92 | 2.0 | 189.19/247.94/319.41 | – | –H | 925.4773, 763.4252, 613.3736, 455.3524 |
| 50 | Ginsenoside Ro | 955.491 | C48H76O19 | 13.72 | 21.59 | 0.3 | 198.21/248.92/321.10 | – | –H | 793.4360, 613.3727, 455.3513 |
| 51 | Ginsenoside Rk3 | 665.4258 | C36H60O8 | 24.29 | 5.01 | −1.9 | – | 278.51/384.64 | +HCOO | 619.4194, 457.3672 |
| 52 | Ginsenoside Rh4 | 665.4268 | C36H60O8 | 24.92 | 5.13 | 0.4 | – | 284.26 | 621.4085, 457.3698 | |
| 53 | 24(R)-Pseudoginsenoside Rt5 | 699.4331 | C36H62O10 | 10.59 | 6.73 | 0.9 |
269.81/310.45 |
273.59/381.70 | +HCOO | 653.4258, 491.3731, 415.3208 |
| 54 | Notoginsenoside T5 | 797.4683 | C41H68O12 | 22.99 | 9.65 | −1.3 | – | 300.07/423.71 | +HCOO | 751.4620, 619.4204, 457.3686 |
| 55 | Ginsenoside Rk1 | 811.4858 | C42H70O12 | 30.66 | 9.74 | 1.0 | 308.56 | 312.86 | +HCOO | 765.4780, 603.4255, 537.3936, 441.3723 |
| 56 | Ginsenoside Rg5 | 811.4863 | C42H70O12 | 31.12 | 9.47 | 1.7 | 314.06 | 318.11 | +HCOO | 765.4783, 603.4255, 439.3567 |
| 57 | 24(R)-Pseudoginsenoside F11 | 845.4912 | C42H72O14 | 10.26 | 11.48 | 1.0 | 295.46 | 296.87 | +HCOO | 799.4832, 653.4255, 491.3728, 415.3203 |
| 58 | 5,6-Didehydroginsenoside Rb1 | 1151.5861 | C54H90O23 | 11.60 | 35.52 | 0.5 | 220.13/270.43/344.97 | 277.78/346.56 | +HCOO | 1105.5779, 943.5248, 781.4721, 619.4200, 457.3673, 373.2732, 355.2632 |
Compound I: 6-O-β-D-(6′-acetyl)-glucopyranosyl-24-en-dammar-3,6,12,20(S)-tetraol.
Compound II: 6-O-(β-D-glucopyranosyl)-20-O-(β-D-xylopyranosyl)-3,6α,12,20(S)-tetrahydroxy dammar-24-ene.
The CCS values in bold indicate the most intense ones.