Table 1.
MS data of 36 identified compounds in ZHDB tea separated components.
| NO. | Group | [M − H]- (m/z) |
[M − H]- (m/z) |
Error |
Formula | MS2 Ions | Predicted compounds |
|---|---|---|---|---|---|---|---|
| Measured value | Theoretical value | (ppm) | |||||
| 1 | MN1 | 587.1200 | 587.1190 | 2.21 | C31H24O12 | 169.0142、193.0142、289.0719、341.0673、435.1092、534.1292 | Zijuan C; Zijuanin D |
| 2 | MN1 | 633.1250 | 633.1244 | 2.05 | C32H26O14 | 169.0147、193.0142、271.0601、303.0507、407.0792、447.0723、587.1161 | Zijuan A; Zijuanin B |
| 3 | MN1 | 457.0780 | 457.0771 | 1.97 | C22H18O11 | 125.0241、169.0146、193.0139、221.0469、269.0455、305.0666、331.0457 | EGCG |
| 4 | MN1 | 441.0821 | 441.0822 | 0.23 | C22H18O10 | 125.0246、169.0150、205.0501、271.0615、289.0724、311.0538、381.8415 | ECG |
| 5 | MN1 | 552.1511 | 552.1506 | 0.91 | C28H27NO11 | 125.0233、169.0139、236.0926、356.1493、400.1390、427.0644、508.1592 | Etc-pyrrolidinone E-J |
| 6 | MN1 | 568.1461 | 568.1455 | 1.06 | C20H27NO12 | 146.9660、169.0140、236.0926、289.0729、329.0574、416.1360、512.0597 | Ethylpyrrolidinonyl theasinensin A; Etc-pyrrolidinone A, B, D |
| 7 | MN1 | 515.0837 | 515.0826 | 2.14 | C14H20O13 | 125.0238、151.0045、169.0153、193.0140、245.0461、313.0370、331.0480、367.0452、408.9334、483.0572 | EGCGD |
| 8 | MN1 | 619.1474 | 619.1457 | 2.75 | C32H28O13 | 125.0252、169.0161、193.0157、271.0635、289.0744、341.0693、373.0953、435.1124、587.1225 | PSEC620 |
| 9 | MN1 | 635.1427 | 635.1406 | 3.31 | C32H28O4 | 125.0244、169.0142、245.0819、271.0612、305.0667、357.0616、389.0878、451.1035、483.1297、541.0988 | PSEC636 |
| 10 | MN2 | 1033.2791 | 1033.2825 | 3.29 | C47H54O26 | 145.0291、229.0488、285.0402、367.1236、451.1443、601.1976、747.2317、887.2434 | Camellikaempferoside C |
| 11 | MN2 | 1063.2902 | 1063.2931 | 2.73 | C48H56O27 | 145.0290、229.0504、285.1398、367.1224、451.1432、597.1775、747.2317、887.2412、1033.2799 | chakaflavonoside A |
| 12 | MN2 | 887.2270 | 887.2246 | 2.71 | C41H44O22 | 145.0290、229.0504、285.1398、433.1136、557.1276、615.1910、755.2021 | Quercetin 3-O-[α-l-arabinopyranosyl(1–3)][2-O''-(E)-p-coumaroyl][ α-l-rhamnopyranosyl(1–6)]- β-D-glucoside |
| 13 | MN2 | 1049.2801 | 1049.2774 | 2.57 | C47H54O27 | 145.0290、229.0509、301.0366、385.8111、451.1463、585.2141、639.6268、735.1794、903.2420 | Quercetin 3-O-(2G-p-coumaroyl-3G-O-β-l-arabinosyl-3α-O-β-d-glucosylrutinoside |
| 14 | MN2 | 447.0909 | 447.0927 | 4.03 | C21H20O11 | 151.0037、213.0549、241.0506、257.0458、285.0404、327.0477、369.2175 | Astragalin |
| 15 | MN2 | 917.2342 | 917.2352 | 1.09 | C42H46O23 | 145.0297、229.0258、301.0352、433.1130、493.0941、615.1925、737.1941 | Quercetin 3-O-[2-O''-(E)-p-coumaroyl][ β-d-glucopyranosyl(1–3)-α-l-rhamnopyranosyl(1–6)]-β-D-glucoside; quamoreokchaside I |
| 16 | MN2 | 901.2386 | 901.2402 | 1.78 | C42H46O22 | 145.0300、229.0499、285.0410、433.1144、615.1923、701.1641、755.2041 | Kaempferol-3-O-glucosyl-rhamnosyl-(p-coumaroyl) glucoside |
| 17 | MN2 | 871.2292 | 871.2297 | 0.57 | C41H44O21 | 145.0296、229.0509、285.0418、351.0532、453.1147、585.1825、741.1878 | Camellikaempferoside A |
| 18 | MN2 | 609.1443 | 609.1456 | 2.13 | C27H30O16 | 146.9662、208.9363、245.0821、285.0404、315.0870、404.0870、455.1188 | Camelliaside C |
| 19 | MN2 | 463.0877 | 463.0877 | 0 | C21H20O12 | 125.0231、177.0186、271.0236、300.0260、301.0318、327.0447、357.0598、407.0740 | Isoquercitrin, Hirsutrin |
| 20 | MN2 | 1079.2878 | 1079.288 | 0.19 | C48H56O28 | 145.0265、301.0354、447.0957、513.0209、597.1832、775.1679、885.2296、1049.2270 | Quercetin 3-O-[2G-(E)-coumaroyl-3G-O-β-d-glucosyl-3R-O-β-d-glucosylrutinoside] |
| 21 | MN3 | 897.1523 | 897.1514 | 1 | C44H34O21 | 169.0143、289.0713、423.0712、557.1089、727.1306、802.2307、849.1636 | ECG-(4β → 6)-EGCG; EGCG-(4β → 6)-ECG |
| 22 | MN3 | 865.1619 | 865.1616 | 0.35 | C44H34O19 | 169.0141、271.0609、423.0733、525.1199、543.1299、695.1428、713.1514 | 3,3′-Bis(3,4,5-trihydroxybenzoyl)Epiafzelechin(4–6)epicatechin; 3,3′-Bis(3,4,5-trihydroxybenzoyl)Epiafzelechin(4–8)epicatechin |
| 23 | MN3 | 881.1555 | 881.1565 | 1.13 | C44H34O20 | 169.0140、271.0605、379。0800、445.0547、559.1278、729.1465、767.1117 | Procyanidin B5 3,3′-di-O-gallate. 3,3′-Di-O-galloylprocyanidin B5, ECG-(4β → 6)-ECG; EAG-(4β → 6)-EGCG |
| 24 | MN3 | 287.0556 | 287.0556 | 0 | C15H12O6 | 109.0293、123.0085、151.0397、175.0386、221.0812、245.0812 | Dihydrokaempferol |
| 25 | MN3 | 269.0460 | 269.0450 | 3.71 | C15H10O5 | 109.0302、151.0415、179.0364、221.0827、245.0836 | Apigenin |
| 26 | MN4 | 289.0722 | 289.0712 | 3.46 | C15H14O6 | 109.0302、125.0255、151.0422、179.0367、203.0731、221.0828、245.0835、271.0604 | (−)-Epicatechin (EC) |
| 27 | MN4 | 271.0610 | 271.0606 | 1.48 | C15H12O5 | 109.0297、125.0246、164.0118、179.0353、245.0822、271.0588 | Naringenin |
| 28 | MN4 | 409.0921 | 409.0923 | 0.49 | C22H18O8 | 109.0298、125.0229、221.0821、245.0807、256.0372、289.0691、311.0539、379.9664 | 3-(4-Hydroxybenzoyl)epicatechin |
| 29 | MN4 | 305.0671 | 305.0661 | 2.74 | C15H14O7 | 112.9855、137.0246、165.0194、191.9470、219.0669、241.0465、275.9850 | Epigallocatechin (EGC) |
| 30 | MN5 | 455.0999 | 455.0978 | 4.61 | C23H20O10 | 169.0145、183.0312、245.0829、271.0631、289.0729、305.0697、357.0631、402.8034 | 3′-O-methyl-(−)-epicatechin gallate, ECG3′Me; 3-O-(3-O-Methylgalloyl)epicatechin |
| 31 | MN5 | 471.0925 | 471.0927 | 0.42 | C23H20O11 | 169.0143、215.0719、289.0718、301.0717、323.0524、411.1590、451.3311 | 3′-O-methyl-(−)-epigallocatechin gallate, EGCG3′Me; 3-O-(3-O-Methylgalloyl)epigallocatechin; |
| 32 | MN5 | 467.0999 | 467.0978 | 4.49 | C24H20O10 | 169.0149、225.0555、287.0575、301.0345、333.0615、407.0789、435.0731、463.0690 | Epigallocatechin 3-O-caffeate |
| 33 | MN5 | 451.1043 | 451.1029 | 3.1 | C24H20O9 | 125.0244、137.0243、179.0352、225.0519、245.0820、289.0714、341.0613、377.0557 | 3-O-(E)-p-Coumaroylepigallocatechin; Epicatechin 3-O-caffeate |