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Table 2 Identification of ZYD metabolic components in T2DM rats

From: Systematic analysis and identification of the absorption and metabolic components of Zengye decoction in type 2 diabetic rats by HPLC-ESI-Q-TOF–MS/MS

Peak No.tR(min)Precursor ions (m/z)Error (mDa)FormulaFragment ions(m/z)IdentificationMetabolic typePUFB
ExpThe
M112.985201.0776201.0768− 0.75C9H14O5201.0762, 157.0529, 139.0751HarpageninHydrolyzation++
M224.773377.1460377.1453− 0.68C16H26O10377.1460, 217.0938, 169.0841, 161.0465Dihydrogen methylcatalpolMethylation, hydrogenation++
M326.057263.0240263.0231− 0.90C9H12O7S263.0240, 183.0455, 165.0588, 121.0291Dehydrated harpagenin sulfateDehydration, sulfation+
M426.304153.0555153.05570.22C8H10O3153.0576, 123.0448, 135.0412, 121.0281HydroxytyrosolHydrolyzation++
M526.862583.1938583.20329.43C27H36O14583.2279, 195.0671, 151.0671, 179.0566, 161.0460, 149.0501Acetyl 6-O- dihydro-feruloyl harpagideHydrogenation, acetylation+
M629.227185.0819185.08190.13C9H14O4185.0819, 141.0891Deglucosylated leonurideDeglucosylation+++
M736.029225.0774225.0768− 0.55C11H14O5225.0801, 210.0793, 165.0556Methyl hydrated ferulic acidMethylation, hydration+
M831.271181.0506181.05060.03C9H10O4181.0513, 163.0398, 137.0514, 119.0498Hydrated p-coumaric acidHydration++++
M935.171451.2234*451.2185− 4.91C19H34O9451.2234, 225.0505, 179.0553, 161.0482Hydroxy rehmaionoside AHydroxylation+
M1036.81363.1109363.1085− 2.36C18H20O8363.1136, 345.1053, 183.0626, 179.0445, 165.0555, 139.0667Deglucosylated 8-O-caffeoyl-harpagideDeglucosylation+
M1137.114137.0602137.06080.6C8H10O2137.0602, 122.0397, 111.0424, 107.0455DeoxyhydroxytyrosolDeoxidation+
M1237.366489.1641489.1614− 2.74C21H30O13489.1641, 179.0363, 165.0542, 113.0249Didehydrated 8-O-caffeoyl harpagideDehydration+
M1337.895339.0709339.07221.26C15H16O9339.0709p-coumaric acid glucuronideGlucuronidation+
M1437.895181.0506181.05060.03C9H10O4181.0506, 163.0773, 137.0601,Dihydro-caffeic acidHydrogenation++
M1539.276151.0405151.0405− 0.43C8H8O3151.0405, 123.0439, 107.0501Dehydrogen hydroxytyrosolDehydrogenation++
M1639.401371.0993371.0984− 0.93C16H20O10371.0993, 195.0657, 177.0549, 193.0334, 175.0255, 113.0242Dihydro-ferulic acid glucuronideHydrogenation, glucuronidation++
M1741.295369.0842369.0827− 1.48C16H18O10369.0842, 193.0504, 178.0272, 149.0599, 134.0369, 113.0232Ferulic acid glucuronideGlucuronidation+++
M1841.618233.0131233.0125− 0.57C8H10O6S233.0131, 153.0554, 135.0444, 123.0449, 121.0299, 109.0274Hydroxytyrosol sulfateSulfation++
M1942.554341.0890341.0878− 1.19C15H18O9341.0890, 165.0556, 121.0657, 175.0233, 149.0598, 113.0236Dihydro-p-coumaric acid glucuronideHydrogenation, glucuronidation+
M2042.703357.0818357.08270.92C15H18O10357.0822, 339.0646, 175.0585, 131.0406Hydrated p-coumaric acid glucuronideGlucuronidation, hydration+
M2145.675181.0870181.08700.02C10H14O3181.0376, 137.0971, 122.0663, 121.0653Dehydro-rehmapicrogeninDehydrogenation++
M2245.826179.0350179.0350− 0.02C9H8O4179.0613, 135.0450, 161.4731,Caffeic acidHydrolyzation++
M2347.591359.1361359.1348− 1.34C16H24O9359.1361, 183.1025, 139.1122, 113.0232Rehmapicrogenin glucuronideGlucuronidation++
M2447.813151.0398151.04010.27C8H8O3151.0398, 107.0500Dehydrogen hydroxytyrosolDehydrogenation+
M2548.821247.0288247.0282− 0.62C9H12O6S247.0288, 167.0711, 152.0474, 149.0285Methyl hydroxytyrosol sulfateMethylation, sulfation+
M2649.757385.1154385.1140− 1.38C17H22O10385.1154, 209.0821, 191.0689, 175.0120, 113.0244Dihydro-methyl ferulic acid glucuronideHydrogenation, methylation, glucuronidation++
M2750.395369.0827369.08270.02C16H18O10369.0842, 193.0504, 178.0272, 149.0599, 134.0369, 113.0232Ferulic acid glucuronideGlucuronidation+
M2854.181275.0239275.0231− 0.8C10H12O7S275.0239, 195.0662, 177.0558, 151.0761, 136.0524, 121.0293Dihydro-ferulic acid sulfateHydrogenation, sulfation+
M2954.078195.0667195.0663− 0.42C10H12O4195.0676, 177.0570, 136.0524Dihydro-ferulic acidHydrogenation+++
M3055.035165.0556165.05570.12C9H10O3165.0559, 147.0427, 129.0326, 121.0655Hydrated cinnamic acidHydration++
M3155.744233.0139233.0125− 1.37C8H10O6S233.0131, 153.0554, 135.0444, 123.0449Hydroxytyrosol sulfateSulfation+
M3255.195331.1208331.1187− 2.09C18H20O6331.1222, 313.1108, 287.0830, 165.0553, 147.0440, 103.0543Deglucosylated harpagosideDeglucosylation+
M3356.101521.1820521.1664− 12.05C25H30O12521.1785, 503.1661, 183.0665, 157.0509, 193.0404, 113.0247Dehydrated harpa-gide glucuronideDehydration, glucuronidation+
M3456.427245.0133245.0125− 0.77C9H10O6S245.0133, 165.0554, 147.0432, 121.0657Dihydro-p-coumaric acid sulfateHydrogenation, sulfation+
M3558.309209.0822209.0819− 0.27C11H14O4209.0813, 191.0713, 165.0926, 149.0616Dihydro-methyl ferulic acidHydrogenation, methylation++
M3658.362273.0083273.0074− 0.85C10H10O7S273.0083, 193.0503, 178.0268, 134.0369Ferulic acid sulfateSulfation+
M3759.756625.2194625.2194− 5.61C29H38O15625.2194, 461.1695, 315.1104, 181.0510, 163.0407, 153.0538Dihydro-acteosideHydrogenation+
M3860.258217.1088217.1081− 0.65C10H18O5217.1087, 199.0936, 186.2198, 171.1025, 155.1062, 153.0895Dihydro-methyl harpageninHydrogenation, methylation+
M3961.965135.0449135.04520.25C8H8O2135.0449, 123.0065, 107.0468, 100.9257Dehydrated hydroxytyrosolDehydration++
M4063.176361.1518361.1504− 1.39C16H26O9361.2317, 185.1180, 141.1279, 113.0242Dihydrogen rehmapicrogenin glucuronideHydrogenation, glucuronidation+
M4164.035247.0294247.0282− 1.22C9H12O6S247.0537, 167.0706, 152.0476Methyl hydroxytyrosol sulfateMethylation, sulfation+
M4266.026377.1471377.1453− 1.78C16H26O10377.1471, 201.1129, 183.1002, 165.0567, 175.0242, 113.0242Harpagenin glucuronideGlucuronidation++
M4370.428637.2199637.2138− 6.11C30H38O15637.2155, 461.1706, 193.0512, 135.0407Methyl acteosideMethylation+
M4472.673275.0246275.0231− 1.50C10H12O7S275.0240, 195.0665, 177.0575, 151.0772Hydrated ferulic acid sulfateHydration, sulfation++
M4572.935245.0135245.0125− 0.97C9H10O6S245.0135, 165.0666, 147.0549, 121.0355Dihydro-p-coumaric acid sulfateHydrogenation, sulfation+
M4678.821273.0081273.0074− 0.65C10H10O7S273.0090, 193.0506, 178.0271, 134.0372Ferulic acid sulfateSulfation++
M4778.166149.0609149.0608− 0.10C9H10O2149.0609, 107.0480, 105.0703Dihydro-cinnamic acidHydrogenation+
M4879.350583.2092583.2032− 5.97C27H36O14583.2100, 193.0525, 149.0439, 201.1145, 183.0656, 165.0568Acetyl-6-O-dihydro-feruloyl harpagideHydrogenation, acetylation+
M4974.738315.1270315.12972.67C14H20O8315.1278, 297.1136, 161.0582, 135.0442Hydroxytyrosol glucosylateHydrolyzation+
  1. a): P, plasma; U, urine; F, feces; B, bile. +, containing; −, not