Skip to main content

Table 1 Chemical components of SMY

From: Shengmai Yin formula modulates the gut microbiota of spleen-deficiency rats

Number tR/min Ion peak δ/ppm Molecular formula Fragment ion Compound
1 1.36 191.05537[M−H]− 3.84 C7 H12 O6 127.03906,93.03358,85.02847 D-(−)-Quinic acid
2 1.46 173.04488[M−H]− 3.82 C7 H10 O5 137.02368,111.00795,111.04430,93.03369,85.02858 Shikimic acid
3 2.41 143.03433[M+H]+ − 2.19 C6 H6 O4 125.02372,97.02904 cis,cis-Muconic acid
4 2.77 169.01361[M−H]− 3.74 C7 H6 O5 125.02351 Gallic acid
5 3.95 154.05022[M+H]+ − 1.87 C7 H7 N O2 126.05517 3-Aminosalicylic acid
6 4.50 220.11823[M+H]+ − 0.96 C9 H17 N O5 202.10765,184.09728,124.07614,116.03467,90.05563 Pantothenic acid
7 5.03 113.06023[M+H]+ − 4.58 C6 H8 O2 95.04972,85.06541 Sorbic acid
8 5.38 153.01875[M−H]− 3.96 C7 H6 O4 123.00771,109.02868,108.02083,95.01298,85.02846 Gentisic acid
9 5.41 173.00856[M−H]− 3.63 C6 H6 O6 111.00781 trans-Aconitic acid
10 5.98 337.09299[M−H]− − 0.07 C16 H18 O8 191.05562,163.03938,119.04932 3-p-Coumaroylquinic acid
11 6.03 353.08786[M+H]+ − 0.93 C16 H18 O9 191.05598,179.03450,173.04495,135.04433,93.03380 Neochlorogenic acid
12 6.53 353.08832[M−H]− − 0.95 C16 H18 O9 191.05559 Chlorogenic acid
13 6.60 167.03435[M−H]− 3.78 C8 H8 O4 152.01073 Vanillic acid
14 7.13 177.01866[M−H]− 3.63 C9 H6 O4 133.02861,105.03360,89.03863 Esculetin
15 7.51 179.03439[M−H]− 3.28 C9 H8 O4 135.04424 Caffeic acid
16 7.53 140.03442[M+H]+ − 1.8 C6 H5 N O3 112.0398 6-Hydroxynicotinic acid
17 7.58 193.0498[M+H]+ − 1.57 C10 H8 O4 165.05478,137.05975 5,7-Dihydroxy-4-methylcoumarin
18 7.88 211.13313[M+H]+ − 1.09 C12 H18 O3 193.12248,175.11176,151.11180,133.10124,123.08053 Jasmonic acid
19 7.99 153.05502[M−H]− 4.51 C8 H10 O3 138.03146,109.02866 Vanillyl alcohol
20 8.25 127.03925[M+H]+ − 4.24 C6 H6 O3 109.02896,81.03424 Maltol
21 9.16 121.06519[M+H]+ − 3.35 C8 H8 O 103.05474,93.07050,91.05482 Acetophenone
22 9.23 167.03456[M−H]− 3.78 C8 H8 O4 152.01074,111,00,785 Vanillic acid
23 9.62 197.11755[M+H]+ − 3.04 C11 H16 O3 179.10684,161.09627,135.11705,133.10144,107.08598 Loliolide
24 9.68 165.05519[M−H]− 3.24 C9 H10 O3 147.04446,121.02873,119.04942,72.99212 D( +)-Phenyllactic acid
25 9.82 303.05109[M−H]− − 0.2 C15 H12 O7 285.04037,125.02352 Taxifolin
26 9.94 153.05486[M+H]+ − 1.8 C8 H8 O3 135.0442 2-Anisic acid
27 9.97 205.08188[M−H]− − 0.03 C11 H13 N O3 164.07118,147.04456 N-Acetyl-L-phenylalanine
28 10.01 163.03943[M−H]− 4.54 C9 H8 O3 119.04939 3-Coumaric acid
29 10.07 193.05038[M−H]− 2.53 C10 H10 O4 178.02650,149.00001,134.03650 Ferulic acid
30 10.11 223.06119[M−H]− 0.18 C11 H12 O5 208.03734,193.01373,164.04703,149.02371,121.02860 Sinapinic acid
31 10.54 197.11781[M+H]+ − 2.83 C11 H16 O3 179.10692,161.09637,135.11708,133.10147, Loliolide
32 10.78 193.05014[M−H]− 0.34 C10 H10 O4 178.02655,134.03648 Ferulic acid
33 10.80 221.19048[M+H]+ − 0.81 C15 H24 O 203.17960,147.11691,119.08584,109.10159,105.07030 (-)-Caryophyllene oxide
34 10.84 225.07610[M+H]+ − 1.36 C11 H12 O5 207.06557,175.03934,147.04431,119.04958,91.05489 Sinapinic acid
35 11.62 609.14636[M−H]− − 0.83 C27 H30 O16 301.03519,300.02737,271.02457,243.02968 Rutin
36 11.64 463.08810[M−H]− − 0.59 C21 H20 O12 301.03540,300.02747,271.02469,255.02977,243.02968 Quercetin-3β-D-glucoside
37 12.03 433.07727[M−H]− − 0.86 C20 H18 O11 301.03549,300.02722,271.02472,255.02969,243.02960 quercetin-3-O-pentoside
38 12.10 137.13268[M+H]+ − 0.84 C10 H18 O 95.08604,81.07051 Eucalyptol
39 12.48 287.09183[M+H]+ − 1.25 C16 H14 O5 167.03418 Sakuranetin
40 12.72 265.14398[M+H]+ − 1.26 C15 H20 O4 247.13326,209.08113,163.07553,135.08072,107.08610 ( ±)-Abscisic acid
41 12.80 447.09378[M−H]− − 1.93 C21 H20 O11 285.04077,284.03268,255.02979,227.03462 Astragalin
42 13.33 193.04997[M−H]− 2.53 C10 H10 O4 178.02667,149.06006,134.03658 Ferulic acid
43 13.36 253.17989[M+H]+ − 0.31 C15 H24 O3 235.16960,127.07537,99.08104,85.06549,81.07063 (4R,4aS,8aS)-4-Hydroxy-4-(hydroxymethyl)-3,4a,8,8-tetramethyl-4a,5,6,7,8,8a-hexahydro-1(4H)-naphthalenone
44 13.88 191.03427[M−H]− 3.7 C10 H8 O4 147.04442,102.94783 5,7-Dihydroxy-4-methylcoumarin
45 14.74 271.06119[M−H]− 0.06 C15 H12 O5 151.00288,119.04927,107.01289,93.03358,83.01283 Naringenin
46 16.05 209.11769[M+H]+ − 2.24 C12 H16 O3 194.09410,181.08620,178.09917,168.07838,121.06514 β-Asarone
47 16.45 237.18507[M+H]+ − 1.56 C15 H24 O2 219.17474 Dihydroartemisinic acid
48 16.64 285.07699[M−H]− 0.44 C16 H14 O5 165.01868,119.04929 5,7-Dihydroxy-4-(4-methoxyphenyl)-2-chromanone
49 16.82 237.18541[M+H]+ − 1.9 C15 H24 O2 219.17458 Curcumol
50 16.88 433.22235[M+H]+ − 0.29 C24 H32 O7 415.21173,384.19327,369.17017,346.14090,338.1512 Schisandrin
51 17.75 327.21774[M−H]− − 0.6 C18 H32 O5 211.13344,111.00777 Corchorifatty acid F
52 18.08 327.21805[M−H]− − 0.6 C18 H32 O5 242.98550,211.13348,183.13852,97.06501,85.02849 Corchorifatty acid F
53 18.37 769.47351[M−H]− 1.08 C41 H70 O13 637.43298,475.37967,113.02346,101.02346,71.01279 20(R)-Notoginsenoside R2
54 18.45 343.11826[M+H]+ − 1.15 C19 H18 O6 135.04422 Methylophiopogonanone A
55 18.64 531.22351[M+H]+ − 1.64 C28 H34 O10 401.15988,383.14908,352.13083,341.10263,337.10757 Gomisin D
56 18.78 783.48883[M−H]− 1.07 C42 H72 O13 637.43164,475.37878,391.28574,101.02344,71.01279 20(R)-Ginsenoside Rg2
57 18.90 769.47498[M−H]− 1.04 C41 H70 O13 637.43268,475.38022,115.91991,101.02350,71.01286 20(R)-Notoginsenoside R2
58 18.90 501.24854[M+H]+ − 0.77 C28 H36 O8 401.19583,370.17758,369.16953,337.14297,323.12762 Angeloylgomisin H
59 18.94 637.43054[M−H]− 0.69 C36 H62 O9 637.43323,475.38144,161.04483,113.02383,101.02373 20(R)-Ginsenoside Rh1
60 19.09 783.48932[M−H]− 1.07 C42 H72 O13 637.43451,475.38000,391.28564,113.02354,101.02354 20(R)-Ginsenoside Rg2
61 19.19 433.22247[M+H]+ − 0.37 C24 H32 O7 415.21188,384.19351,369.16995,353.17542,322.15680 Schisandrin
62 19.34 637.43042[M−H]− 0.7 C36 H62 O9 637.43121,475.38043,161.04475,101.02357 20(R)-Ginsenoside Rh1
63 19.44 501.24823[M+H]+ 0.02 C28 H36 O8 401.19647,370.17783,369.17078,337.14359,323.12793 Angeloylgomisin H
64 19.59 129.17468[M+H]+ − 0.72 C15 H22 O 137.13260,123.11709,95.08604,83.04976,81.07051 Zerumbone
65 19.70 457.36844[M+H]+ − 1.24 C30 H48 O3 439.35272,439.17239,203.17969,191.17955,189.16400 Oleanolic acid
66 19.83 237.18520[M+H]+ − 2.12 C15 H24 O2 219.17482,201.16435,161.13277,159.11711,119.08590 Curcumol
67 19.85 219.17484[M+H]+ − 0.72 C15 H22 O 201.1.06405,161.13274,159.11716,119.08595,105.07041 Nootkatone
68 20.03 219.17474[M+H]+ − 0.72 C15 H22 O 159.11697,109.10164,95.08614 Nootkatone
69 20.25 293.17603[M−H]− 0.38 C17 H26 O4 236.10509,221.15431,220.14641 6-Gingerol
70 20.28 219.17447[M+H]+ − 0.72 C15 H22 O 201.16428,145.10139,135.11708,109.10167,93.07056 Nootkatone
71 20.45 389.19641[M+H]+ − 1.68 C22 H28 O6 357.17053,325.14389,288.09998,287.09196,227.07072 3-(5-Hydroxy-2,2,7,8-tetramethyl-6-oxo-7,8-dihydro-2H,6H-pyrano[3,2-g]chromen-10-yl)hexanoic acid
72 20.72 403.21173[M+H]+ − 0.46 C23 H30 O6 371.18570,333.13324,302.11505,301.10706,287.09171 Schisanhenol
73 21.12 313.23868[M−H]− − 1.38 C18 H34 O4 295.22781,183.13847,129.09103,99.08048 ( ±)12(13)-DiHOME
74 21.22 403.21201[M+H]+ − 0.47 C23 H30 O6 371.18558,340.16702,302.11496,287.09161,227.07039 Schisanhenol
75 21.59 341.1026[M−H]− 0.13 C19 H18 O6 206.05794,178.06284 Methylophiopogonanone A
76 21.68 315.25345[M+H]+ − 0.75 C18 H34 O4 183.13847,129.09116,99.08051 ( ±)12(13)-DiHOME
77 22.08 417.22736[M+H]+ − 0.49 C24 H32 O6 402.20383,347.14920,316.13083,301.10721,285.11203 Schizandrin A
78 22.10 737.41095[M−H]− 0.49 C39 H62 O13 163.06015,119.03417,101.02347,89.02344,71.01279 Polyphyllin VI
79 22.50 413.30502[M+H]+ 0 C27 H40 O3 395.29483,269.19028,251.17978,157.10143,145.10144 Testosterone cypionate
80 23.22 425.37814[M+H]+ 0.8 C30 H48 O 121.10139,109.10157,107.08596,95.08605,81.07049 Lupenone
81 23.44 401.19589[M+H]+ − 0.02 C23 H28 O6 300.09918 NCGC00163663-02!
82 23.46 425.37805[M+H]+ 0.79 C30 H48 O 135.11716,109.10172,107.08609,95.08617,81.07062 Lupenone
83 24.06 443.38809[M+H]+ 0.58 C30 H50 O2 425.37762,207.17442,135.11687,95.08601,81.07048 Betulin
84 24.06 425.37738[M+H]+ 0.78 C30 H48 O 121.10150,109.10164,107.08601,95.08609.91.05466 Lupenone
85 24.07 783.48846[M−H]− 1.57 C42 H72 O13 621.43500,161.04472,113.02341,101.02339,71.01275 20(R)-Ginsenoside Rg3
86 24.26 443.38806[M+H]+ 0.82 C30 H50 O2 425.37790,207.17436,109.10152,95.08606,81.07048 Betulin
87 24.26 783.48883[M−H]− 1.56 C42 H72 O13 113.02341,101.02339,71.01274 20(R)-Ginsenoside Rg3
88 24.70 425.37808[M+H]+ 0.78 C30 H48 O 147.11687,107.11687,109.10153,95.08601,81.07049 Lupenone
89 25.09 431.31549[M+H]+ 0.23 C27 H42 O4 287.20078,269.18994,251.17944,139.07545,121.06513 Ruscogenin
90 25.09 413.30848[M+H]+ 0.41 C27 H40 O3 269.19000,251.17937,210.14043,145.10138,115.07576 Testosterone cypionate
91 25.40 415.32138[M+H]+ − 0.46 C27 H42 O3 271.20599,253.19543,157.10149 Diosgenin
92 25.66 415.3208[M+H]+ − 0.46 C27 H42 O3 271.20615,253.19553,157.10158 Diosgenin
93 25.75 425.37756[M+H]+ 0.8 C30 H48 O 135.11699,109.10159,107.08597,95.08607,81.07052 Lupenone
94 26.04 425.37726[M+H]+ 0.79 C30 H48 O 123.11709,109.10161,107.08597,95.08606,81.07053 Lupenone
95 26.04 443.38800[M+H]+ 0.62 C30 H50 O2 425.37799,207.17436,189.16388,95.08603,81.07047 Betulin
96 26.11 415.32059[M+H]+ − 0.52 C27 H42 O3 271.20575,253.19521,157.10138 Diosgenin
97 26.25 355.28464[M+H]+ − 0.22 C21 H38 O4 263.23706,245.22650,109.10155,95.08602,81.07050 1-Linoleoyl glycerol
98 26.96 415.32141[M+H]+ − 0.46 C27 H42 O3 271.20563,253.19502,157.10127 Diosgenin
99 27.03 425.37860[M+H]+ 0.78 C30 H48 O 105.07032 Lupenone
100 27.64 283.26416[M−H]− 0.11 C18 H36 O2 163.11212,107.04922 Stearic acid
101 27.96 338.34177[M+H]+ − 0.08 C22 H43 N O 321.31552,97.10168,83.08614,69.07059 Erucamide
102 30.91 415.32095[M+H]+ − 0.79 C27 H42 O3 271.20575,253.19533,157.10135 Diosgenin
Back to article page

Chinese Medicine

ISSN: 1749-8546

Contact us