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. 2024 Jan 8;14:1290868. doi: 10.3389/fphar.2023.1290868

TABLE 3.

HPLC-Q-TOF/MS analysis of the metabolites of the flavonoid of Abelmoschus manihot (L.) Medik in db/db mice.

NO t R /min Molecular Ion mode Observed m/z Calculated m/z Error MS/MS (m/z) Clog P Metabolite description Source Ref
SE H li k co je U CO-N JE-N
P1 10.17 C15H10O7 [M-H]− 301.0354 301.0354 0.00 273.0405;178.9988;151.0035;121.0292;107.0144 1.50 quercetin + + + + + + + Guo et al. (2011a)
P2 9.32 C15H10O8 [M-H]− 317.0314 317.0303 3.47 271.0220;227.0372;178.9986;166.9938;151.0039;137.0247;109.0296 0.84 myricetin + + + + + Guo et al. (2011a)
P3 8.54 C21H20O12 [M-H]− 463.0876 463.0882 −1.30 301.0296;271.0263;255.0309;151.0043 −0.34 hyperoside + + + + + + + + + Guo et al. (2011a)
P4 8.68 C21H20O12 [M-H]− 463.0876 463.0882 −1.30 301.0296;271.0263;255.0309;151.0043 −0.34 isoquercitrin + Guo et al. (2011a)
P5 9.2 C21H20O12 [M-H]− 463.0876 463.0882 −1.30 301.0366;178.9991;151.0043 −0.13 quercetin-3'-glucoside + + + + + Guo et al. (2011a)
P6 8.95 C21H18O14 [M-H]− 493.0623 493.0624 −0.20 317.0313;299.0199;271.0235;194.9989;166.9985;139.0043 −1.30 hibifolin + + + + + + + + Guo et al. (2011a)
P7 8.2 C27H30O16 [M-H]− 609.1454 609.1461 −1.15 609.1462;301.0369;271.0259;178.9987;151.0033 −1.36 rutin + + + + + Guo et al. (2011a)
M1 8.05 C8H8O4 [M-H]− 167.0355 167.0349 3.59 108.0202;91.0195 0.15 DOPAC : 3,4-dihydroxyphenylacetic acid + + + + + Tang et al. (2016)
M2 10.13 C15H10O6 [M-H]− 285.0405 285.0406 −0.35 217.0482;199.0411;175.0413;151.0076;133.0293 2.10 3'-dehydroxylated quercetin + + + + + Du et al. (2017)
M3 11.06 C15H10O6 [M-H]− 285.0409 285.0406 1.05 243.0317;229.0498;211.0329;187.0382;167.0493;159.0450;143.0508;108.0199 2.31 3-dehydroxylated quercetin + + + + + + + + Du et al. (2017)
M4 a 9.71 C15H10O7 [M-H]− 301.0356 301.0358 −0.66 178.9977;151.0027;121.0309;107.0129 1.50 3'-dehydroxylated myricetin + + + + + /
M5 a 8.24 C15H10O7 [M-H]− 301.0359 301.0354 1.66 178.9977;151.0027;121.0309;107.0129 1.43 4'-dehydroxylated myricetin + + + /
M6 a 8.87 C15H12O7 [M-H]− 303.0515 303.0510 1.65 285.0379;241.0491;217.0519;199.0392;175.0405;150.0323;125.0246 0.77 quercetin hydrogenation + + + + /
M7 11.34 C16H12O7 [M-H]− 315.0513 315.051 0.95 300.0253;283.0261;271.0204;255.0265;243.0289;163.0027;151.0026;107.0131 1.95 methylated quercetin (isorhamnetin) + + + + + + + + +
M8 9.75 C16H12O7 [M-H]− 315.0515 315.051 1.59 300.0253;283.0261;271.0204;243.0289;163.0027;151.0026;107.0131 1.75 methylated quercetin + + + + + Du et al. (2017)
M9 10.25 C16H12O8 [M-H]− 331.0464 331.0459 1.51 316.0222;299.0184;271.0255;178.9989;164.0117;151.0037;124.0170;107.0144 1.40572 methylated myricetin + + + + + + + + Lin et al. (2012)
M10 9.68 C15H10O10S [M-H]− 380.9927 380.9922 1.31 301.0346;273.0397;178.9984;151.0035;121.0293;107.0132 0.055 quercetin sulphate + + + + + + Guo et al. (2010)
M11 a 9.09 C15H10O11S [M-H]− 396.9868 396.9871 −0.76 317.0279;271.0255;179.0009;151.0033;109.0270 −0.49 myricetin sulphate + + + + + Guo et al. (2010)
M12 a 8.1 C21H18O12 [M-H]− 461.0732 461.0725 1.52 285.0410;257.0407;229.0595;217.0522; 0.14 dehydroxylated quercetin monoglucuronide + /
M13 9.15 C21H18O13 [M-H]− 477.0675 477.0674 0.21 301.0338;255.0296;178.9978;151.0022 −0.61 quercetin monoglucuronide + + + + + + + + Xue et al. (2011a)
M14 8.54 C21H18O13 [M-H]− 477.0677 477.0674 0.63 301.0338;271.0243;255.0296;178.9978;151.0022 −0.81 quercetin monoglucuronide + + + + + + + + Xue et al. (2011a)
M15 9.05 C22H22O12 [M-H]− 477.1044 477.1038 1.26 315.0507;271.0224;243.0253;199.0416;151.0026 0.11 methylated hyperoside + + + + + Vacek et al. (2012)
M16 8.85 C21H20O13 [M-H]− 479.0805 479.0831 −5.43 479.0828;317.0308;299.0202;271.0239;178.9984;166.9990;151.0045;139.0042 −0.82 gossypin + + Xue et al. (2011b)
M17 8.36 C21H20O13 [M-H]− 479.0814 479.0831 −3.55 479.0813;316.0223;287.0203;271.0269;259.0278;179.0012 −1.00 myricetin-3-glucoside + + + + Du et al. (2017)
M18 9.19 C22H20O13 [M-H]− 491.0828 491.0831 −0.61 315.0512;300.0294;227.0254;151.0034;113.0238 −0.13 methylated quercetin monoglucuronide + + + + + + Guo et al. (2010)
M19 9.05 C22H20O13 [M-H]− 491.0861 491.0831 6.11 315.0508;300.0272;255.0295;113.0215 −0.25 methylated quercetin monoglucuronide + + + + + + + + Guo et al. (2010)
M20 8.96 C22H20O13 [M-H]− 491.0828 491.0831 −0.61 315.0512;300.0294;227.0254;151.0034;113.0238 −0.37 methylated quercetin monoglucuronide + + + + + + + + Guo et al. (2010)
M21 8.85 C22H20O13 [M-H]− 491.0861 491.0831 6.11 315.0508;300.0272;255.0295;113.0215 −1.15 methylated quercetin monoglucuronide + + + + + + Guo et al. (2010)
M22 a 8.31 C21H18O14 [M-H]− 493.0617 493.0623 −1.22 317.0200;178.9928;150.9972;137.0207 −1.16 myricetin monoglucuronide + + Lin et al. (2012)
M23 a 8.79 C22H20O14 [M-H]− 507.0776 507.0780 −0.79 331.0331;316.0223;287.0206;271.0198;178.9993;164.0106;151.0052 −0.93 methylated myricetin monoglucuronide + + + + + Guo et al. (2010)
M24 a 9.4 C22H20O14 [M-H]− 507.078 507.078 0.00 331.0461;316.0225;165.9911 −0.85 methylated hibifolin + + + + + + Guo et al. (2010)
M25 7.64 C21H20O15S [M-H]− 543.0449 543.0445 0.74 380.9929;301.0363;187.9774;178.9989;151.0034;79.9588 −1.79 hyperoside sulfate + + + + + + Guo et al. (2011b)
M26 8.36 C21H20O15S [M-H]− 543.0452 543.0445 1.29 463.0932;301.0404;271.0204;255.0363 −1.45 quercetin-3'-glucoside sulphate + + + + + /
M27 8.29 C21H18O16S [M-H]− 557.0244 557.0242 0.36 477.0701;380.9865;301.0357;151.0031 −1.93 quercetin monoglucuronide sulphate + + + + + + + + Lee et al. (2012)
M28 6.64 C27H28O18 [M-H]− 639.1208 639.1202 0.94 463.0880;300.0294;271.0208;243.0381 −2.45 hyperoside monoglucuronide + + + Guo et al. (2011b)
M29 7.47 C27H28O18 [M-H]− 639.1213 639.1202 1.72 463.0721;300.0176;271.0151;245.0044;211.9927;150.9989 −2.22 quercetin-3'-glucoside monoglucuronide + + + + + /
M30 7.96 C27H26O19 [M-H]− 653.1042 653.0995 7.20 477.0643;315.0521;301.0342;151.0033 −2.93 quercetin di-glucuronide + + + + + Lee et al. (2012)
M31 8.13 C27H26O19 [M-H]− 653.1042 653.0995 7.20 477.0643;315.0521;301.0342;151.0033 −2.69 quercetin di-glucuronide + + + + + + + Lee et al. (2012)
M32 7.94 C28H30O18 [M-H]− 653.1369 653.1334 5.36 491.0755;477.0894;315.0490;300.0286;150.9994 −1.98 methylated hyperoside monoglucuronide + + + + + + Guo et al. (2011b)
M33 8.07 C28H30O18 [M-H]− 653.1372 653.1334 5.82 491.0755;477.0894;315.0490;300.0286;150.9994 −1.89 methylated hyperoside monoglucuronide + + + + + + + Guo et al. (2011b)
M34 a 8.69 C27H28O19 [M-H]− 655.1154 655.1152 0.31 479.0727;475.0527;431.0618;387.0343;317.0306;166.9988;139.0017 −2.94 gossypin monoglucuronide + + + + + /
M35 a 7.9 C27H26O20 [M-H]− 669.0942 669.0944 −0.30 493.0653;317.0331;299.0208;273.0455;227.0366;194.9963;166.9996;139.0065 −4.17 hibifolin monoglucuronide + + /
M36 a 8.26 C27H26O20 [M-H]− 669.0948 669.0944 0.60 493.0459;317.0195;178.9918;150.9997 −3.49 myricetin di-glucuronide + + + + Lin et al. (2012)
M37 a 8.07 C27H26O20 [M-H]− 669.0948 669.0944 0.60 493.0653;317.0331;299.0208;273.0455;227.0366;194.9963;166.9996;139.0065 −3.66 hibifolin monoglucuronide + + /
M38 a 8.08 C31H37N3O18S [M-H]− 770.1793 770.1720 9.48 752.1652;676.1203;463.0883;301.0389;271.0345;151.0030 −3.72 hyperoside glutathione conjugation + + + + + + /
a

unreported new metabolites; Se, H, Li, K, Je, Co, Je_N, Co_N, and U represent mouse serum, heart, liver, kidney, jejunum, colon, jejunal contents, colonic contents, and urine samples, respectively.