| No | Proposed compounds | Retention time | Formula | Molecular | m/z | Weight |
| 1 | 1,5-anhydro-1-[5,7-dihydroxy-2-(4-hydroxyphenyl)-4-oxo-4H-chromen-8-yl]-2-O-[(2E)-3-(4-hydroxyphenyl)-2-propenoyl] hexitol | 3.67 | C30H26O12 | 578.1420 | 577.1346 | 2 | Catechin | 3.69 | C15H14O6 | 290.0787 | 289.0715 | 3 | p-coumaric acid glucoside | 3.76 | C15H18O8 | 326.0999 | 325.0927 | 4 | 1-naphthol glucuronide | 3.76 | C16H16O7 | 320.0893 | 319.0820 | 5 | (+)-gallocatechin | 3.77 | C15H14O7 | 306.0737 | 305.0664 | 6 | Sinapinic acid-O-glucuronide isomer | 3.99 | C17H20O11 | 400.1004 | 399.0931 | 7 | Heptaethylene glycol | 4.13 | C14H30O8 | 326.1940 | 349.1832 | 8 | Catechin | 4.32 | C15H14O6 | 290.0789 | 289.0716 | 9 | 8-O-methylfusarubin | 4.50 | C16H16O7 | 320.0894 | 319.0820 | 10 | p-coumaric acid glucoside | 4.54 | C15H18O8 | 326.0999 | 325.0927 | 11 | 3,5,6,7-Tetrahydroxy-2-(4-hydroxyphenyl)-2,3-dihydro-4H-chromen-4-one | 4.66 | C15H12O7 | 304.0583 | 303.0510 | 12 | Leucyl-leucyl-norleucine | 4.67 | C18H35N3O4 | 357.2627 | 358.2700 | 13 | Epiafzelechin | 4.68 | C15H14O5 | 274.0841 | 275.0913 | 14 | Guibourtinidol-(4alpha->6)-catechin | 4.72 | C30H26O10 | 546.1523 | 545.1449 | 15 | 3,4-methylenesebacic acid | 5.32 | C12H18O4 | 226.1205 | 249.1097 | 16 | Miquelianin | 5.37 | C21H18O13 | 478.0745 | 477.0671 | 17 | Isoquercetin | 5.44 | C21H20O12 | 464.0954 | 463.0880 | 18 | Rutin | 5.47 | C27H30O16 | 610.1527 | 609.1455 | 19 | Bergaptol | 5.62 | C11H6O4 | 202.0265 | 201.0192 | 20 | Trifolin | 5.66 | C21H20O11 | 448.1005 | 447.0931 | 21 | Flaviolin | 5.78 | C10H6O5 | 206.0215 | 205.0143 | 22 | 7-hydroxy-9-methoxy-6-(1,3,4-trihydroxy-2-butanyl)-1,2-dihydrocyclopenta[c]chromene-3,4-dione | 5.95 | C17H18O8 | 350.0997 | 349.0925 | 23 | Dodecyltrimethylammonium | 5.99 | C15H33N | 227.2612 | 228.2685 | 24 | Bis(2-ethylhexyl) amine | 6.09 | C16H35N | 241.2766 | 242.2839 | 25 | 3-tert-butyladipic acid | 6.19 | C10H18O4 | 202.1206 | 201.1133 | 26 | Prometryn | 6.93 | C10H19N5S | 241.1363 | 242.1436 | 27 | 3-oxolauric acid | 6.97 | C12H22O3 | 214.1569 | 237.1461 | 28 | trans-2-Dodecenoylcarnitine | 7.29 | C19H35NO4 | 341.2566 | 342.2639 | 29 | N,N-Bis(2-hydroxyethyl)dodecanamide | 7.70 | C16H33NO3 | 287.2461 | 310.2354 | 30 | 3,5-di-tert-Butyl-4-hydroxybenzaldehyde | 7.88 | C15H22O2 | 234.1620 | 235.1693 | 31 | 10,16-dihydroxyhexadecanoic acid | 8.41 | C19H38N2O3 | 342.2882 | 343.2955 | 32 | (Similar to: (1S,8S,9S,10S,13R)-6,9,10-trimethyl-2-oxo-4,14-dioxatetracyclo-tetradeca-3(7),5-dien-8-yl acetate; Δmass: 38.1571 Da) | 8.42 | C15H29NO | 239.2249 | 240.2322 | 33 | (Similar to: (1S,8S,9S,10S,13R)-6,9,10-trimethyl-2-oxo-4,14-dioxatetracyclo-tetradeca-3(7),5-dien-8-yl acetate; Δmass: −64.9062 Da) | 8.53 | C20H26O4 | 330.1831 | 329.1758 | 34 | 5,5′-diisopropyl-2,2′-dimethyl-3,3′,4,4′-biphenyltetrol | 9.58 | C16H33NO | 255.2560 | 256.2633 | 35 | Hexadecanamide | 9.72 | C19H38O4 | 330.2770 | 353.2662 | 36 | L-α-PALMITIN | 9.91 | C24H38O4 | 390.2769 | 413.2661 | 37 | Bis(2-ethylhexyl) phthalate | 9.94 | C18H34O2 | 282.2559 | 281.2486 | 38 | Oleic acid | 10.39 | C37H67O8P | 670.4573 | 669.4496 | 39 | (2R)-1-(Palmitoyloxy)-3-(phosphonooxy)-2-propanyl (9Z,12Z,15Z)-9,12,15-octadecatrienoate | 10.46 | C29H50O3 | 446.3760 | 469.3651 | 40 | 13-hydroxy-alpha-tocopherol | 10.79 | C29H48O3 | 444.3591 | 477.3917 |
|
|