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. 2022 Jan 10;8:769555. doi: 10.3389/fnut.2021.769555

Table 1.

Classification of bioactive compounds in sunflower calathide (mzCloud best match score above 80).

No. Molecular weight Rt(min) Formula Ion mode m/z Identification Category
1 151.06 4.21 C8 H9 N O2 + 152.0705, 134.0601, 126.0551, 110.0604 Paracetamol Alkaloid
2 143.09 1.15 C7 H13 N O2 + 144.1019, 98.0969, 84.0814, DL-Stachydrine
3 192.04 7.21 C10 H8 O4 + 193.0494, 178.0260, 133.0284 Scopoletin
4 103.1 1.01 C5 H13 N O + 104.1074, 60.0817 Choline
5 168.07 5.99 C11 H8 N2 + 169.0758, 151.0396, 142.0652 Norharman
6 117.08 1.15 C5 H11 NO2 + 103.0625, 59.0738, 58.0660 Betaine
7 210.14 6.86 C11 H18 N2 O2 + 183.1494, 138.1277, 114.0916, 98.0605, 86.0970, 70.0659 Cyclo(leucylprolyl)
8 453.28 27.16 C21 H44 N O7 P + 452.2782, 171.0052, 152.9946, 146.9600, 96.9681, 78.9575 Glycerophospho-N-palmitoyl ethanolamine
9 316.2 12.57 C20 H28 O3 + 317.2101, 299.2003, 281.1899, 271.2053, 253.1950 Cafestol Terpenoid
10 136.13 8.28 C10 H8 O + 137.1324, 109.0650, 95.0860, 81.0705, 79.0549, 69.0707 Eucalyptol
11 150.1 9.98 C10 H14 O + 151.0754, 123.0806, 109.0651, 91.0547, 81.0705, 69.0342 Carvone
12 152.12 9.05 C10 H16 O + 135.0442, 109.1015, 107.0859, 93.0704, 81.0705 D- (+)-Camphor
13 314.19 14.49 C20 H26 O3 + 315.1944, 297.1848, 269.1898, 161.0960, 121.1013 Kahweol
14 218.17 14.03 C15 H22 O + 219.1738, 149.0961, 123.1169 Nootkatone Ketone
15 344.23 13.88 C22 H32 O3 + 345.2415, 327.2319, 299.2363, 281.2263, 241.1948 Medroxyprogesterone
16 274.19 12.86 C18 H26 O2 + 275.1999, 239.1793, 161.1325, 147.1169, 133.1013 19-Nortestosterone
17 270.2 13.66 C19 H28 O2 + 271.2049, 253.1949, 225.1636, 197.1325, 145.1012, 121.1014 Dehydroepiandrosterone (DHEA)
18 302.19 10.97 C19 H26 O3 + 303.1946, 285.1852, 257.1898, 239.1792 11-Ketotestosterone
19 288.21 11.95 C19 H28 O2 + 289.2154, 271.2052, 253.1949, 243.2106, 187.1482, 161.1329 Testosterone
20 272.21 14.73 C19 H30 O2 + 255.2104, 227.1790, 199.1480, 145.1010, 131.0855, 105.0702 Etiocholanolone
21 126.03 4.21 C6 H6 O3 + 127.0390, 109.0288, 81.0342 Maltol
22 236.1 8.37 C13 H16 O4 + 237.1117, 219.1008, 165.0545, 149.0597, 123.0442, 107.0494 1-[3-Hydroxy-2-(2-hydroxy-2-propanyl)-2,3 -dihydro-1-benzofuran-5-yl] ethanone
23 272.21 10.7 C19 H30 O2 + 273.2203, 255.2105, 227.1792, 199.1478, 173.1325, 159.1169 Androsterone
24 374.09 11.57 C19 H18 O8 + 375.1069, 345.0601, 327.0495, 302.0421, 215.0182, 169.0131 5,2'-Dihydroxy-6,7,8,6'-tetramethoxyflavone Flavonoid
25 314.08 8.79 C17 H14 O6 + 315.0859, 299.0549, 282.0522, 254.0571, 226.0624 Scrophulein
26 364.09 1.09 C12 H22 O11 + 365.1053, 203.0525, 185.0421, 118.0864 D- (+)-Maltose Glycosides
27 568.22 7.31 C26 H34 O11 - 567.2082, 359.1502, 329.1393, 175.0756, 160.0519 Lariciresinol 4-O-glucoside
28 354.1 5.59 C16 H18 O9 - 353.0880, 191.0553, 179.0341, 173.0446, 135.0439 Chlorogenic acid Phenolic
29 354.1 4.62 C16 H18 O9 - 353.0880, 191.0553, 179.0341, 173.0446, 135.0439 Neochlorogenic acid
30 126.03 2.26 C6 H6 O3 + 127.0390, 109.0288, 99.0446, Phloroglucinol
31 192.04 6.18 C10 H8 O4 + 193.0495, 165.0546, 137.0597, 109.0288, 81.0705 5,7-Dihydroxy-4-methylcoumarin Coumarins
32 206.06 10.44 C11 H10 O4 + 207.0650, 192.0417,164.0467, 151.0752, 121.0650 Scoparone