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. 2018 Jun 27;9:691. doi: 10.3389/fphar.2018.00691

Table 1.

UHPLC-Q-TOF data and identification of constituents from crude Typhae Pollen extract.

Peak no. TR Formula Positive ion mode Negative ion mode Identification References
[M+H]+ MS/MS(+) Δppm [M-H]− MS/MS(-) Δppm
1 1.257 C5H11NO2 118.0863 118.0866, 72.0815, 55.0553 −0.29 116.0717 – Valine García-Salas et al., 2014
2 1.506 C6H8O7 193.0343 – 191.0197 191.0194, 111.0086 0.14 Citric acid Geng et al., 2014
3 1.578 C6H13NO2 132.1019 132.1023, 86.0971, 69.0709 −2.80 130.0874 – Leucine Kivrak et al., 2014
4 1.658 C4H6O4 119.0339 – 117.0193 117.0223, 73.0301 −4.44 Succinic acid Geng et al., 2014
5 2.120 C9H11NO2 166.0863 166.0861, 120.0808, 103.0544, 91.0701, 77.0392 −1.91 164.0717 – Phenylalanine Kivrak et al., 2014
6 2.579 C12H22O11 343.1235 – 341.1089 179.0567, 161.0444, 119.0362, 113.0252 2.579 Sucrose Wang et al., 2014
7 4.890 C7H6O3 139.0390 – 137.0244 137.0228, 119.0115, 108.0212 4.38 Protocatechuic aldehyde Xie et al., 2011
8 5.160 C15H14O6 291.0863 – 289.0718 289.0715, 245.0775, 203.0688, 179.0355, 165.0145, 137.0238 2.34 Catechina Cheng et al., 2011
9 6.311 C7H6O2 123.0441 – 121.0295 121.0290, 77.0402 −4.61 Benzoic acid Penner et al., 2010
10 6.717 C16H16O8 337.0918 – 335.0772 335.0791, 191.0385, 179.0353, 161.0245, 135.0465 −7.75 Caffeoylshikimic acid Abu-Reidah et al., 2013; García-Salas et al., 2014
11 6.987 C33H40O20 757.2186 – 755.0240 755.2049, 300.0300, 271.0324, 255.0505, 151.0075 −0.01 Quercetin-3-O-(2G-α-L-rhamnosyl)-rutinoside Tao et al., 2011
12 7.393 C15H14O6 291.0863 – 289.0718 289.0714, 245.0781, 203.0688, 179.0355, 137.0238, 125.0230, 109.0290 1.25 Epicatechina Cheng et al., 2011
13 7.461 C9H8O3 165.0546 – 163.0401 163.0398, 119.0445 1.63 ρ-Coumaric acid Fan et al., 2011
14 7.531 C27H30O16 611.1607 – 609.1461 609.1470, 300.0297, 271.0262, 255.0312, 151.0046 −1.46 Quercetin-3-O-neohesperidoside Tao et al., 2011
15 7.548 C33H40O19 741.2237 – 739.2091 739.2095, 284.0343, 255.0314, 151.0051 −0.54 Kaempferol-3-O-(2G-α-L-rhamnosyl)-rutinoside Tao et al., 2011
16 7.596 C34H42O20 771.2342 771.2360, 625.1261, 479.1192, 317.0662 −2.27 769.2197 769.2202, 314.0456, 285.0442, 151.0049 −0.79 Isorhamnetin-3-O-(2G-α-L-rhamnosyl)-rutinosidea Tao et al., 2011
17 7.981 C9H6O3 163.0390 163.0386 2.29 161.0244 – Umbelliferonea Avula et al., 2016
18 8.140 C27H30O15 595.1657 – 593.1512 593.1532, 284.0345, 255.0319, 151.0045 −0.72 Kaempferol−3-O-neohesperidoside Tao et al., 2011
19 8.275 C28H32O16 625.1763 – 623.1618 623.1634, 314.0451, 285.0422, 151.0005 −2.64 Isorhamnetin-3-O-neohesperidosidea Tao et al., 2011
20 8.493 C10H18O5 219.1277 – 217.1081 217.1098 −7.54 Di-tert-butyl dicarbonate Ma et al., 2006
21 8.814 C28H32O16 625.1763 – 623.1618 623.1662, 314.0522, 285.0451, 151.0045 −0.77 Isorhamnetin-3-O-rutinoside Tao et al., 2011
22 9.092 C21H20O11 449.1078 – 447.0971 284.5566, 285.0902 4.51 Astragalina Tao et al., 2016
23 9.288 C22H22O12 479.1184 479.1206, 317.0697 −4.63 477.1038 477.1057, 314.0448, 285.0434, 151.0055 −3.89 Isorhamnetin-3-O-β-galactosidea Wolfender et al., 2000
24 9.965 C9H16O4 189.1121 – 187.0976 187.0976 0.45 9-hydroxy-nonanoic acid-methyl ester Ma et al., 2006
25 12.130 C10H18O4 203.1278 – 201.1132 201.1147 4.69 Decanedioic acid Liu et al., 2012
26 13.960 C15H12O5 273.0757 – 271.0612 271.0625, 151.0046, 119.0509 −4.82 Naringenina Tao et al., 2011
27 14.025 C11H20O4 217.1434 – 215.1289 215.1302 −4.8 nonanedioic acid-dimethyl ester Ma et al., 2006
28 14.081 C15H10O6 287.0550 – 285.0405 285.0561 −3.73 Kaempferola Tao et al., 2011
29 14.179 C18H32O5 329.2323 – 327.2177 327.2176 0.02 Triple hydroxyl-octadecatrienoic acid Liu et al., 2012
30 14.296 C16H12O7 317.0656 – 315.0510 315.0529, 300.0291, 271.0255, 255.0311 −3.73 Isorhamnetina Wolfender et al., 2000
31 14.856 C18H34O5 331.2479 – 329.2333 – 0.14 9,10-dihydroxy-Octadecanoicacid-methyl eater Ma et al., 2006
32 17.358 C18H32O4 315.2373 – 313.2381 – −0.96 Octadecene dioic acid Ferreiro-Vera et al., 2013
33 17.495 C18H34O4 315.2530 – 313.2384 – 0.11 Double hydroxyl-octadecatrienoic acid Ferreiro-Vera et al., 2013
34 20.251 C18H36O3 301.2737 – 299.2592 – −3.62 12-hydroxystearic acid Ferreiro-Vera et al., 2013
35 21.807 C18H30O2 279.2319 – 277.2137 – −4.68 Linolenic acid Cho et al., 2012
36 22.568 C16H30O2 255.2319 – 253.2173 – −3.52 9-Hexadecenoic acid Liu et al., 2012
37 22.890 C18H32O2 281.2475 – 279.2330 – −3.42 Linoleic acid Cho et al., 2012
38 23.905 C16H32O2 257.2475 – 255.2330 – −4.33 Palmitic acid Ferreiro-Vera et al., 2013
39 23.989 C18H34O2 283.2632 – 281.2486 – −3.63 Oleic acid Ferreiro-Vera et al., 2013
40 24.243 C20H36O2 309.2788 – 307.2643 – −2.82 Palmitic acid ethyl ester Liu et al., 2012
41 25.681 C18H36O2 285.2788 – 283.2643 – −2.93 Stearic acid Cho et al., 2012
42 25.800 C22H40O2 337.3101 – 335.2956 – −2.07 9,12-Octxdecxdicnoic, butyl ester Liu et al., 2012
a

confirmed by comparison with reference substances. –Undetected/not comparison with reference data.