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. 2018 Dec 21;24(1):33. doi: 10.3390/molecules24010033

Table 2.

Compounds identified from MCG and CG by UPLC-QTOF-MSE.

No. tR (min) Formula Calculated Mass (Da) Theoretical Mass (Da) Mass Error (ppm) MSE Fragmentation Identification Sources Ref.
1 0.49 C5H8N2O5 176.0431 176.0433 −1.5 177.0503[M + H]+; 130.0495[M – 2 × OH − NH2]+ Dencichine CG, MCG12, MCG20 [23]
2 0.54 C6H14N4O2 174.1115 174.1117 −1.1 175.1188[M + H]+;158.0912[M − NH2]+; 116.0704[M − NH2 − CN2H2]+;114.1015[M − NH2 − CHO2]+ Adipodihydrazide CG, MCG12, MCG20 a
3 0.55 C30H22O10 542.1257 542.1213 8.1 543.1330[M + H]+; 273.0833[M − C15H10O5]+; 242.1025[M − OH − C15H10O6]+; 127.0388[M − C24H17O7]+; 116.0703[M − 2 × OH − C21H12O8]+; 109.0284[M − C24H15O8]+ Chamaejasmine CG, MCG12, MCG20 a
4 0.59 C12H22O11 342.1156 342.1162 −1.6 365.1055[M + Na]+; 203.0550[M − OH − C4H8O4]+; 185.0444[M − 2 × OH − C4H8O4]+ α-Maltose CG, MCG12, MCG20 [24]
5 0.69 C6H14N4O2 174.1115 174.1117 −0.9 175.1188[M + H]+ d-Arginin CG, MCG12, MCG20 s
6 0.74 C19H18O11 422.0842 422.0849 −1.7 423.0915[M + H]+; 268.1040[M + H − C6H6O5]+; 119.0349[M − C15H10O7]+ Isomangiferin CG, MCG12, MCG20 [25]
7 0.75 C5H5N5 135.0546 135.0545 0.5 136.0618[M + H]+; 119.0352[M − NH2]+ Adenine CG, MCG12, MCG20 s
8 0.76 C10H13N5O4 267.0974 267.0968 2.4 268.1050[M + H]+; 136.0618[M − C5H9O4]+; 119.0352[M − C5H9O4 − NH2]+ d-Adenosine CG, MCG12, MCG20 s
9 0.80 C20H15NO6 365.0876 365.0899 −6.3 366.0949[M + H]+ Integriamide CG, MCG12, MCG20 a
10 0.81 C25H30O12 538.1677 538.1686 −1.7 561.1569[M + Na]+; 393.1138[M − C6H8O4]+; 381.0788[M − CH3 − C7H10O3]+; 366.0930[M − OH − C8H10O3]+; 366.0930[M − C19H21O8]+ Linearoside CG, MCG12, MCG20 [26]
11 0.82 C9H11NO2 165.0782 165.0790 −0.5 166.0862[M + H]+; 120.0805[M − COOH]+; 103.0543[M − COOH − NH2]+ Phenylpropionic acid CG, MCG12, MCG20 s
12 0.91 C6H9N3O2 155.0762 155.0695 −3.5 156.0762[M + H]+ Histidine CG, MCG12, MCG20 s
13 1.05 C11H12N2O2 204.0898 204.0899 −0.5 205.0971[M + H]+; 188.0706[M − NH2]+; 143.0723[M − NH2 − COOH]+; 118.0649[M − NH2 − COOH − C2H3]+ Tryptophan CG, MCG12, MCG20 s
14 1.06 C6H14N4O2 174.1117 174.1117 0.0 175.1190[M + H]+ Argentine CG, MCG12, MCG20 [27]
15 3.13 C25H28O4 392.2009 392.1988 5.5 393.2082[M + H]+ Glabrol CG, MCG12, MCG20 [28]
16 3.27 C25H24O5 404.1646 404.1624 5.1 405.1719[M + H]+ Puerarol CG, MCG12, MCG20 [29]
17 4.42 C27H38O6 458.2716 458.2668 10.0 481.2609[M + Na]+; 436.2642[M − COOH]+ Lucideric acid CG, MCG12, MCG20 a
18 4.64 C36H58O8 618.4107 618.4132 −4.0 619.4180[M + H]+; 421.3446[M − Glc − OH]+ β-d-Glcopyranosyl oleanolate CG, MCG12, MCG20 [30]
19 4.89 C48H82O19 962.5484 962.5450 3.3 985.5312[M + Na]+; 765.4795[M − Glc − OH]+; 541.2637[M − Glc − OH − C15H28O]+; 421.3463[M − Glc − Glc/Rha − 2 × OH]+ Majoroside F6 CG, MCG12, MCG20 [31]
20 5.21 C31H46O8 546.3248 546.3193 9.7 569.3140[M + Na]+; 133.0859[M − C25H33O5]+ Methyl ganoderate G CG, MCG12, MCG20 a
21 5.53 C35H48O9 612.3344 612.3298 7.4 613.3416[M + H]+; 582.3264[M − OCH3]+; 526.2986[M − C4H7O2]+ Cinobufagin 3-hemisuberate methyl ester CG, MCG12, MCG20 a
22 5.56 C45H74O17 886.4877 886.4926 −5.4 909.4769[M + Na]+; 745.4383[M − CH2OH − C6H10O2]+; 729.4136[M − OH − C8H14O2]+; 601.2768[M − 2 × OH − C16H26O4]+; 431.1870[M − Glc − C19H27O2]+ Shatavarin IV CG, MCG12, MCG20 [32]
23 5.64 C25H32O13 540.1800 540.1843 3.0 541.1873[M + H]+; 347.0906[M − CH3O − C2H4 − C8H9O2]+; 195.1008[M − Glc − C2H4O2 − C6H5O2]+ Oleuropein CG, MCG12, MCG20 [33]
24 5.65 C14H16O4 248.1025 248.1049 −9.7 271.0917[M + Na]+; 195.1008[M − C2H4 − COH]+; 189.1348[M − OH − COOH]+ Isohistiopterosin A CG, MCG12, MCG20 a
25 5.79 C45H74O17 886.4881 886.4926 −5.0 909.4773[M + Na]+; 707.4360[M − Glc]+; 689.4262[M − Glc − OH]+; 657.3636[M − Glc − OH − 2 × CH3]+; 609.3646[M − Glc − C6H10O2]+; 523.3626[M − Glc/Glc − C3H6]+ Malonylginsenoside Rf CG, MCG12, ## MCG20 [34]
26 6.21 C42H70O14 798.4778 798.4766 1.6 799.4851[M + H]+; 439.3563[M − Glc/Rha − 2 × OH]+; 421.3441[M − Glc/Rha − 3 × OH − H2O]+ Ginsenoside Rg8 CG, MCG12, MCG20 [34]
27 6.23 C22H32O13 504.1840 504.1843 −0.6 503.1767[M − H]−; 457.1715[M − OH − CH2OH]−; 293.0878[M − C2H4O − CH2OH − C8H9O2]− Cistanoside H CG, MCG12, MCG20 [35]
28 6.24 C23H28O11 480.1594 480.1632 −7.7 481.1667[M + H]+; 317.0803[M − C10H12O2]+ Peoniflorin CG, MCG12, MCG20 a
29 6.28 C24H30O12 510.1702 510.1737 −6.9 511.1775[M + H]+; 317.0803[M − C11H14O3]+ Mudanpioside D CG, MCG12, MCG20 [36]
30 6.39 C54H92O24 1124.5943 1124.5978 −3.1 1147.5835[M + Na]+; 585.2870[M − C25H47O12]+; 325.1130[M − C42H71O14]+ Ginsenoside V CG, MCG12, MCG20 [31]
31 6.49 C48H82O19 962.5484 962.5450 3.3 985.5302[M + Na]+; 865.4789[M − C6H9O]+; 823.4787[M − C8H11O2]+; 805.4668[M − C8H13O3]+; 555.2763[M − C12H26O5]+; 423.3602[M − Glc − Glc/Glc − OH]+; 405.3507[M − Glc − Glc/Glc − 2 × OH]+ Ginsenoside Re1 CG, MCG12, ##,* MCG20 [37]
32 6.59 C23H28O11 480.1587 480.1632 −9.3 481.1660[M + H]+; 317.0810[M − C7H5O − C3H5O]+ Mudanpioside I CG, MCG12, MCG20 [38]
33 6.64 C41H70O14 786.4762 786.4766 −0.4 831.4744[M + HCOO]−; 653.4270[M − H − C5H8O4]−, 491.3710[M − H − C11H18O9]− Notoginsenoside Rw2 CG, MCG12, MCG20 [39]
34 6.67 C47H80O18 932.5335 932.5345 −1.0 977.5317[M + HCOO]−; 785.4693[M − Ara − CH3]−;653.4282[M − Glc − 2 × OH − C5H9]− Quinquenoside F6 CG, MCG12, MCG20 [37]
35 6.77 C36H60O9 636.4217 636.4237 −3.1 637.4290[M + H]+; 621.42740[M − OH]+; 423.3605[M − Glc − 2 × OH]+ Ginsenoside Rh8 CG, MCG12, MCG20 [40]
36 6.84 C48H82O19 962.5469 962.5450 1.9 1007.5456[M + HCOO]−; 799.4848[M − Glc]−; 637.4317[M − Glc/Glc]−; 179.0545[Glc − H]− 20-β-d-Glucopyranosyl-ginsenoside Rf CG, MCG12, MCG20 [41]
37 6.80 C42H70O13 782.4773 782.4816 −5.4 805.4665[M + Na]+; 765.4734[M − OH]+; 677.4220[M − 2 × OH − C4H7O]+; 661.4265[M − 3 × OH − C4H7O]+; 439.3562[M − Glc − Man − OH]+ Ginsenoside Rh14 CG, MCG12, MCG20 [40]
38 6.82 C17H24O8 356.1460 356.1472 −3.1 379.1352[M + Na]+; 145.0495[M − OH − C11H13O3]+ Erigeside II CG, MCG12, MCG20 [42]
39 6.96 C47H80O18 932.5410 932.5345 6.7 977.5392[M + HCOO]−; 799.4825[M − Xyl]−; 769.4724[M − H − Glc]−; 637.4291[M − (Glc/Xyl) ]−; 179.0539 [Glc − H]− Notoginsenoside R1 CG, MCG12, MCG20 s
40 6.99 C28H44O12 572.2810 572.2833 −3.9 573.2883[M + H]+; 555.2779[M − OH]+; 531.2860[M − C2H3O]+ Picrasinoside G CG, MCG12, MCG20 a
41 7.05 C48H82O19 962.5425 962.5450 −2.6 1007.5415[M + HCOO]−; 799.4822[M − Glc]−; 637.4333[M − (Glc/Glc) ]− Notoginsenoside N CG, MCG12, MCG20 [43]
42 7.20 C48H82O19 962.5422 962.5450 −2.9 985.5314[M + Na]+; 703.4371[M − Glc − 2 × OH − CH2OH]−; 439.3565[M − Glc − Glc/Glc − OH]− Ginsenoside Re2 CG, MCG12, ##,**MCG20 [40]
43 7.34 C42H72O14 800.4934 800.4922 1.4 845.4916[M + HCOO]−; 637.4344[M − Glc]−; 475.3798[M − Glc − Glc]−; 179.0553[Glc − H]−; Ginsenoside Rg1 CG, MCG12, MCG20 s
44 7.36 C48H82O18 946.5524 946.5501 2.3 991.5506[M + HCOO]−; 783.4912[M − Glc]−; 637.4344[M − (Glc/Rha)]−; 475.3798[M − Glc − (Glc/Rha)]− Ginsenoside Re CG, MCG12, MCG20 s
45 7.74 C45H74O17 886.4925 886.4926 −0.1 885.4853[M − H]−; 781.4740[M − HOCOCH2COOH]−; 619.4197[M − Glc(Mal)]−; 161.0438[Glc − H2O]− Malonylginsenoside Rg1 CG, MCG12, MCG20 [39]
46 7.93 C48H76O19 956.4960 956.4981 −2.2 979.4852[M + Na]+; 799.4161[M − CO2 − CH2OH − C6H12]+; 641.4008[M − Glc − C4H6O5]+;439.3562[M − Glc − Glc/Glc(mal)]+; 145.0493[Glc − OH]+ Isomer of ginsenoside Ro # CG, MCG12, MCG20 [31]
47 8.04 C51H84O21 1032.5532 1032.5505 2.6 1031.5460[M − H]−; 987.5564[M − CO2]−; 927.5337[M − HOCOCH2COOH]−; 781.4759[M − Rha(Mal) ]−; 619.4222[M − (Rha(Mal)/Glc]− Malonylginsenoside Re CG, MCG12, MCG20 [39]
48 8.08 C48H76O19 956.4950 956.4981 −3.1 979.4842[M + Na]+; 817.4311[M − Glc]+; 439.3571[M − Glc/Glc − Glc − OH]+ Isomer of ginsenoside Ro CG, MCG12, MCG20 [44]
49 8.09 C44H74O15 842.5032 842.5028 0.5 841.4959[M − H]−; 799.4861[M − CH2O]+; 781.4741[M − CH2O − OH]+; 637.4316[M − Xyl(mal)]+; 619.4228[M − Xyl(mal) − OH]+; 475.3798[M − Xyl(mal) − Glc]+; 179.0550[Glc − H]+; 161.0439[Glc − OH]+ Yesanchinoside D CG, MCG12, MCG20 [45]
50 8.10 C45H74O17 886.4931 886.4926 0.6 885.4858[M − H]−; 781.4741[M − H − HOCOCH2COOH]−; 619.4228[M − H − Glc(Mal) ]−; 161.0439[Glc − H − H2O]− Isomer of malonylginsenoside Rg1 CG, MCG12, MCG20 [39]
51 8.49 C41H70O13 770.4801 770.4816 −1.5 815.4784[M + HCOO]−; 637.4321[M − Xyl]− Notoginsenoside R2 CG, MCG12, MCG20 [39]
52 8.50 C56H94O24 1150.6124 1150.6135 −1.1 1149.6051[M − H]−; 1119.5951[M − CH2OH − 2 × OH]−; 807.4861[M − Glc/Glc − OH]−; 605.4423[M − Glc/Glc − Glc(mal) ]−; 325.1119[Glc/Glc − OH]− Quinquenoside R1 CG, MCG12, ## MCG20 [46]
53 8.60 C22H30O47 406.1957 406.1992 −8.5 407.2030[M + H]+; 376.1859[M − OCH3]+ Nigakilactone K CG, MCG12, MCG20 [47]
54 8.87 C48H82O19 962.5445 962.5450 −0.5 1007.5427[M + HCOO]−; 797.4706[M − Glc]− Ginsenoside Re3 CG, MCG12, MCG20 [37]
55 8.96 C56H92O25 1164.5929 1164.5928 0.1 1187.5821[M + Na]+; 1147.5803[M − OH]+; 805.4305[M − Ara/Glc − CH2OH − CH3]+; 443.3868[M − Ara/Glc − Glc/Glc(mal)]+ Malonylginsenoside Rb2 CG, MCG12, ##,* MCG20 [44]
56 9.41 C59H100O27 1240.6488 1240.6452 2.8 1285.6740[M + HCOO]−; 945.5421[M − (Ara/Xyl) ]−; 913.5184[M − (Glc/Glc)]−; 783.4900[M − (Ara/Xyl) − Glc]− Notoginsenoside R4 CG, MCG12, MCG20 s
57 9.56 C42H72O14 800.4921 800.4922 −0.1 845.4903[M + HCOO]−; 637.4319[M − Glc]−; 475.3786[M − (Glc/Glc)]−; 1,3A2β221.0658; 161.0439[Glc – H − H2O]−;2,5A1β101.0235 Ginsenoside Rf CG, MCG12, MCG20 s
58 9.79 C18H34O5 330.2398 330.2406 −2.3 353.2290[M + Na]+; 213.1459[M + H – COOH – C5H11]+ 12,13,15-Trihydroxy-9-octadecenoic acid # CG, MCG12, MCG20 [48]
59 9.87 C41H70O13 770.4809 770.4816 −1.0 815.4791[M + HCOO]−; 475.3783[M − (Glc /Xyl)]−; 161.0437[Glc – H – H2O]− Ginsenoside F5 CG, MCG12, MCG20 s
60 9.89 C60H102O28 1270.6635 1270.6558 5.9 1315.6617[M + HCOO]−; 841.4991[M − Glc/Glc – OH – C4H4]−; 769.4777[M − Glc/Glc/Glc – CH3]− Ginsenoside Ra0 CG, MCG12, MCG20 [49]
61 9.94 C58H98O26 1210.6358 1210.6346 1.0 1255.6340[M + HCOO]−; 1077.5833[M – Xyl]−; 1047.5719[M – Glc]−; 955.4871[M – Glc – OH – C4H7]−; 783.4892[M – Glc/Xyl/Rha]− Ginsenoside Ra2 CG, MCG12, MCG20 [50]
62 10.00 C22H22O10 446.1192 446.1213 −4.5 469.1084[M + Na]+; 429.1154[M – OH]+; 385.0884[M – OH – CH3 – CH2OH]+; 341.0661[M – C4H8O3]+; 237.0746[M – C10H13O5]+; 193.0483[M – C12H16O6]+ Glycitin CG, MCG12, MCG20 a
63 10.01 C59H100O27 1240.6462 1240.6452 0.8 1285.6444[M + HCOO]−; 1107.5964[M-Xyl]−; 945.5424[M – (Glc/Xyl)]−; 783.4912[M – Xyl – GlcGlc]− Notoginsenoside Fa CG, MCG12, MCG20 [50]
64 10.05 C54H92O23 1108.6101 1108.6029 6.2 1153.6083[M + HCOO]−; 945.5437[M – Glc]−; 783.4888[M – (Glc/Glc)]−; 621.4382[M – (Glc/Glc) – Glc]−; 459.3835[M – (Glc/Glc) – (Glc/Glc)]−; 2,5A1β101.0235 Ginsenoside Rb1 CG, MCG12, MCG20 s
65 10.10 C42H70O12 766.4863 766.4867 −0.5 767.4936[M + H]+; 443.3866[M – Rha – Glc]+; 425.3762[M – Rha – Glc – OH]+ Ginsenoside Rg4 CG, MCG12, MCG20 [34]
66 10.20 C57H94O26 1194.6087 1194.6033 4.5 1193.6015[M – H]−; 1149.6098[M – CO2]−; 783.4908[M – Glc/Glc)]−; 179.0545[Glc – H]− Isomer of malonylginsenoside Rb1 CG, MCG12, ##,** MCG20 [39]
67 10.22 C42H72O13 784.4997 784.4973 2.9 829.4979[M + HCOO]−; 637.4336[M − Rha]−; 475.3809[M – (Glc/Rha)]−; 161.0449 [Rha – H]− 20(R)-Ginsenoside Rg2 CG, MCG12, MCG20 s
68 10.25 C36H62O9 638.4407 638.4394 2.9 683.4389[M + HCOO]−; 161.0449[Glc − H − H2O]− Ginsenoside Rh1 CG, MCG12, MCG20 s
69 10.27 C41H70O13 770.4779 770.4816 −4.7 793.4672[M + Na]+; 587.4276[M − Ara(p) − 2 × OH]+; 423.3589[M − Ara(p)/Glc − 2 × OH]+ Ginsenoside F3 CG, ∆∆ MCG12, MCG20 [34]
70 10.29 C36H60O8 620.4292 620.4288 0.7 621.4365[M + H]+; 390.2277[M − C17H26]+; 187.1473[M − OH − Glc − C16H24O]+ Ginsenoside Rh4 CG, MCG12, MCG20 [40]
71 10.32 C53H90O22 1078.5939 1078.5924 1.3 1101.5805[M + Na]+; 939.5312[M − Glc]+; 929.5452[M − Ara(f)]+; 789.4784[M − Ara(f) − Glc]+ Ginsenoside Rc CG, MCG12, MCG20 s
72 10.34 C58H98O26 1210.6356 1210.6346 0.7 1255.6338[M + HCOO]−; 1077.5851[M − Xly]−; 1047.5702[M − Glc]−; 945.5396[M − (Xly/ Ara(p))]−; 621.4323[M − (Xly/ Ara(p)/Glc − Glc]− Ginsenoside Ra1 CG, MCG12, MCG20 [50]
73 10.38 C42H70O12 766.4872 766.4867 0.6 767.4945[M + H]+;605.4423[M − Glc]+;443.3870[M − Glc/Xyl]+;407.3660[M − Glc − 2 × OH]+; 163.0591[Glc − OH]+;145.04901[Glc − OH − H2O]+ Ginsenoside Rg5 CG, MCG12, MCG20 s
74 10.47 C56H92O25 1164.5947 1164.5928 1.6 1163.5874[M − H]−; 1119.5961[M − CO2]−; 927.5320[M − Ara(f) − HOCOCH2COOH]− Malonylginsenoside Rc CG, MCG12, MCG20 [44]
75 10.51 C48H76O19 956.5001 956.4981 2.1 955.4928[M − H]−; 793.4399[M − Glc]−; 613.3739[M − Glc − Glc − OH]− Ginsenoside Ro # CG, MCG12, MCG20 s
76 10.57 C57H94O26 1194.6059 1194.6033 2.2 1193.5986[M − H]−; 1149.6062[M − CO2]−; 1089.5851[M − HOCOCH2COOH]−; 945.5428[M − Glc(Mal)]−; 783.4926[M − (Glc/Glc)]− Malonylginsenoside Rb1 CG, MCG12, MCG20 [39]
77 10.63 C53H90O22 1078.5979 1078.5924 4.9 1123.5961[M + HCOO]−; 945.5448[M − Ara(p)]−; 783.4896[M − (Ara/Glc)]−; 149.0443[Ara(p) − H]− Ginsenoside Rb2/Rb3 CG, MCG12, MCG20 s
78 10.77 C56H92O25 1164.5986 1164.5928 5.0 1163.5913[M − H]−; 1101.5822[M − CO2]−; 765.4782[M − H − Glc(Mal) − Ara(p) − OH]− Malonylginsenoside Rb2 CG, MCG12, MCG20 [44]
79 11.06 C36H62O9 638.4391 638.4394 −0.4 683.4373[M + HCOO]− 20(R)-Ginsenoside Rh1 CG, MCG12, MCG20 s
80 11.14 C36H62O9 638.4399 638.4394 0.7 661.4291[M + Na]+; 376.2462[M − C17H24O2]+ Ginsenoside F1 CG, MCG12, MCG20 s
81 11.15 C56H92O25 1164.5971 1164.5928 3.7 1163.5898[M − H]−; 1119.6000[M − CO2]−; 1059.5772[M − H − C3H4O4]−; Malonylginsenoside Rb3 CG, MCG12, MCG20 [39]
82 11.27 C48H82O18 946.5482 946.5501 −1.9 991.5464[M + HCOO]−; 783.4878[M − Glc]−; 621.4350[M − (Glc/Glc)]−; 161.0435[Glc − H]− Ginsenoside Rd CG, MCG12, MCG20 s
83 11.31 C55H92O23 1120.6049 1120.6029 1.7 1143.5941[M + Na]+; 831.4874[M − Glc(mal)]− Ginsenoside Rs1 CG, MCG12, ##,* MCG20 s
84 11.36 C42H70O12 766.4875 766.4867 1.0 767.4947[M + H]+; 605.4423[M − Rha]+; 587.4300[M − Rha − OH]+; 569.4211[M − Rha − 2 × OH]+; 443.3866[M − Rha/Glc]+; 425.3769[M − Rha/Glc − OH]+; 145.0491[Rha − H − H2O]+ Ginsenoside Rg6 CG, MCG12, MCG20 [44]
85 11.42 C51H84O21 1032.5515 1032.5505 0.9 1131.5442[M − H]−; 765.4785[M − Glc(mal) − OH]−; 621.4372[M − (Glc/Glc(mal)]− Malonylginsenoside Rd CG, MCG12, MCG20 [45]
86 11.53 C55H92O23 1120.6065 1120.6029 3.0 1165.6047[M + HCOO]−; 1077.5851[M − Ac]−; 1059.5745[M − Ac − OH]− Ginsenoside Rs2 CG, MCG12, MCG20 s
87 11.69 C42H70O13 782.4738 782.4816 −9.7 805.4631[M + Na]+; 621.4354[M − Glc]+; 311.0902[Glc/Glc − CH2OH]+ Ginsenoside Rg10 CG, MCG12, MCG20 a
88 11.79 C48H82O18 946.5494 946.5501 −0.7 991.5476[M + HCOO]−; 927.5308[M − OH]−; 783.4926[M − Glc]−; 621.4412[M − (Glc/Glc) ]− Gypenoside XVII CG, MCG12, MCG20 s
89 11.81 C51H84O21 1032.5504 1032.5505 −0.1 1031.5431[M − H]−; 987.5535[M − CO2]−; 621.4412[M − (Glc/Glc(mal))]−; 179.0546[Glc − H]− Isomer of malonylginsenoside Rd CG, MCG12, MCG20 [49]
90 11.88 C48H82O18 946.5476 946.55021 −2.6 969.5368[M + Na]+; 605.4394[M − Glc/Glc]+; 587.4312[M − Glc/Glc − OH]+; 425.3744[M − Glc/Glc − Glc]+; 407.3661[M − Glc/Glc − OH − Glc]+ Chikusetsusaponin FK1 CG, MCG12, MCG20 [40]
91 12.18 C47H80O17 916.5398 916.5396 0.2 961.5380[M + HCOO]−; 783.4870[M − Xyl]−; 621.4388[M − (Xyl/glc)]− Notoginsenoside Fe CG, MCG12, MCG20 s
92 12.39 C50H84O19 988.5565 988.5607 −4.1 1011.5458[M + Na]+; 831.4819[M − Glc]+; 425.3763[M − Glc/Glc(ace) − Glc]+ Quinquenoside III CG, MCG12, MCG20 [51]
93 12.45 C47H80O17 916.5376 916.5396 −2.1 939.5268[M + Na]+; 789.4754[M − 2 × OH − CH6O3]+ Vinaginsenoside R16 CG, MCG12, MCG20 [40]
94 12.59 C47H80O17 916.5361 916.5396 −3.7 939.5253[M + Na]+; 407.3672[M − Glc − (Glc/Xyl) − OH]+ Gypenoside IX CG, MCG12, MCG20 [52]
95 12.91 C50H84O19 988.5569 988.5607 −3.8 1011.5461[M + Na]+; 789.4784[M − Glc − 2 × OH]+ Quinquenoside III isomer CG, MCG12, MCG20 [51]
96 13.29 C52H86O19 1014.5753 1014.5763 −1.0 1037.5645[M + Na]+; 857.5032[M − C4H8O4 − 2 × OH]+; 393.1376[Glc/Glc(ace) − OH]+ Quinquenoside I CG, MCG12, MCG20 [53]
97 13.34 C42H72O13 784.4984 784.4973 1.4 829.4966[M + HCOO]−; 621.4373[M − Glc]−; 161.0437[Glc − H − H2O]− Ginsenoside F2 CG, MCG12, MCG20 s
98 13.55 C42H72O13 784.4977 784.4973 0.5 807.4869[M + Na]+; 605.4402[M − Glc]+; 587.4286[M − Glc − OH]+; 425.3765[M − Glc/Glc − OH]+; 407.3659[M − Glc/Glc − 2 × OH]+ 20(R)-Ginsenoside Rg3 CG, MCG12, MCG20 s
99 13.57 C17H24O2 260.1774 260.1776 −0.8 261.1847[M + H]+ Panaxydol ∆∆,## CG, MCG12, MCG20 [54]
100 13.77 C42H66O14 794.4464 794.4453 1.4 793.4391[M − H]−; 731.4375[M − CO2 − OH]−; 613.3746[M − Glc]− Chikusetsusaponin Iva CG, MCG12, MCG20 [51]
101 14.02 C52H86O19 1014.5750 1014.5763 −1.3 1037.5642[M + Na]+; 789.4732[M − Glc − C2H4O2]+ Isomer of Quinquenoside I CG, MCG12, MCG20 [51]
102 14.38 C17H26O3 278.1879 278.1882 −1.1 279.1952[M + H]+ Panaxtriol CG, MCG12, MCG20 [55]
103 14.46 C42H72O13 784.4970 784.4973 −0.3 829.4966[M + HCOO]−; 621.4373[M − Glc]−; 407.3672[M − Glc/Glc − 2 × OH]+ 20(S)-Ginsenoside Rg3 CG, MCG12, MCG20 s
104 15.05 C18H34O4 314.2444 314.2457 −3.8 337.2336[M + Na]+ Dibutyl sebacate CG, MCG12, MCG20 a
105 17.90 C16H22O4 278.1516 278.1518 −0.7 301.1408[M + Na]+; 149.0230[M − C4H9 − C4H9O]+ n-Butyl isobutyl phthalate CG, MCG12, MCG20 a
106 17.93 C30H52O4 476.3856 476.3866 −2.2 499.3747[M + Na]+; 441.3728[M − 2 × OH]+; 423.3590[M − 3 × OH]+; 317.2049[M − 2 × CH3 − C8H15O]+ 20(R)-Protopanaxatriol CG, MCG12, MCG20 [56]
107 17.95 C16H30O2 254.2246 254.2268 8.2 277.2161[M + Na]+ Palmitoleic acid CG, ∆,** MCG12, MCG20 s
108 18.07 C19H18O3 294.1258 294.1256 0.5 317.1150[M + Na]+ Tashinone IIA CG, MCG12, MCG20 [57]
109 18.08 C30H48O4 472.3546 472.3553 −1.4 495.3438[M + Na]+ β-Amyrone CG, MCG12, MCG20 [58]
110 18.08 C6H6O3 126.0331 126.0317 9.4 149.0223[M + Na]+ Pyrogallol CG, MCG12, MCG20 a
111 18.09 C30H48O4 472.3546 472.3553 −1.8 495.3438[M + Na]+ 24-Hydroxyoleanolic acid CG, ∆∆,** MCG12, MCG20 [59]
112 18.09 C24H38O5 406.2720 406.2719 0.3 429.2613[M + Na]+; 319.1950[M − CH3 − C4H7O]+; 261.2213[M − 2 × C2H4O2 − C2H3]+; Vitetrifolin CG, MCG12, MCG20 a
113 20.14 C31H46O2 450.3535 450.3498 8.0 473.3428[M + Na]+; 430.2889[M − C3H7]+ Vitamin K1 CG, MCG12, MCG20 [60]
114 20.97 C18H30O2 278.2224 278.2252 −7.9 277.2151[M − H]−; 232.2172[M − COOH]− α-Linolenic acid ∆∆,## CG, MCG12, MCG20 [61]
115 21.18 C21H38O4 354.2758 354.2770 −3.1 377.2650[M + Na]+ β-Monolinolein CG, MCG12, MCG20 [62]
116 22.11 C18H32O 264.2452 264.2453 −0.5 265.2525[M + H]+; 149.1320[M − CH2 − C6H12O]+; 135.1166[M − CH2 − C7H13O]+; 121.1008[M − CH2 − C8H15O]+; 109.1010[M − C8H15O − C2H3]+ (Z)-9,17-Octadecadienal CG, MCG12, MCG20 [63]
117 22.49 C18H32O2 280.2386 280.2402 −5.9 279.2313[M − H]−; 234.2325[M − COOH]− Linoleic acid ∆∆,## CG, MCG12, MCG20 s
118 23.85 C14H20O2 220.1478 220.1463 5.6 265.1460[M + HCOO]− Thymyl isobutyrate CG, MCG12, MCG20 [64]
119 24.25 C18H34O2 282.2541 282.2559 −6.3 281.2468[M − H]−; 236.2481[M − COOH]− 9-Octadecenoic acid ∆∆,## CG, MCG12, MCG20 a
120 24.40 C36H62O8 622.4454 622.4445 1.6 623.4527[M + H]+; 316.2842[M − OH − Glc − C8H14]+; Compound K CG, MCG12, MCG20 [40]
121 24.89 C40H56O4 600.4219 600.4179 6.7 601.4292[M + H]+; 557.4021[M − C2H4]+ Violaxanthin CG, MCG12, MCG20 [65]
122 25.31 C20H38O2 310.2862 310.2872 −3.2 311.2935[M + H]+; 277.1995[M − C6H13]+ Ethyloleate CG, MCG12, MCG20 a
123 25.35 C40H56O4 600.4212 600.4179 5.6 601.4285[M + H]+; 497.3800[M − OH − C4H8O2]+ Neoxanthine CG, MCG12, MCG20 [65]
124 26.38 C24H38O4 390.2758 390.2770 −2.8 413.2653[M + Na]+; 301.1406[M − 3 × C2H5]+; 189.0153[M − C2H5 − C4H9 − C8H17]+; 167.0327[M − 2 × C2H17]+ Bis(2-ethylhexyl) phthalate CG, MCG12, MCG20 a
125 28.01 C30H46O5 486.3334 486.3345 −2.2 509.3226[M + Na]+ Quillaic acid CG, MCG12, MCG20 s
126 29.04 C5H8O2 100.0512 100.0524 −10.0 123.0404[M + Na]+ Pentanedial CG, MCG12, MCG20 [66]

s Identified with standard. a Compared with spectral data obtained from Wiley Subscription Services, Inc. (USA). ∆, ∆∆: Represented the content either in CG4–6 years group or in MCG12 years group was significantly higher than the other one (∆ p < 0.05, ∆∆ p < 0.001) #,##: Represented the content either in CG4–6 years group or in MCG20 years group was significantly higher than the other one (# p < 0.05, ## p < 0.001) *, **: Represented the content either in MCG12 years group or in MCG20 years group was significantly higher than the other one (* p < 0.05, ** p < 0).