Table IV.

Novel metabolites identified or putatively assigned by LC-PDA-ESI-QTOF-MS/MS in tomato fruit extracts (abbreviations as in Table III)

RetAv m/zUV/VisMS/MS FragmentsMol FormTheo. MassMean ΔPutative ID
AvStDev
minppm
4.740.05299.0771251137C13H16O8299.0772−0.48Hydroxybenzoic acid-hexose
7.420.07380.1558146C15H27NO10380.1562−1.11Pantothenic acid-hexose
12.990.05431.1557269, 161, 143, 125, 119, 113, 101C19H28O11431.1559−0.43Benzyl alcohol-dihexose
14.760.05771.1989263sh, 351609, 463, 301C33H40O21771.1989−0.01Quercetin-dihexose-deoxyhexose
15.470.06595.1665475, 385, 355C27H32O15595.1668−0.51Naringenin chalcone-dihexose or Naringenin-dihexose
15.820.04401.1452293, 269, 233, 191, 161, 149, 131, 125, 101C18H26O10401.1453−0.37Benzyl alcohol-hexose-pentose
24.770.151,312.58721,266, 1,135, 1,105C59H95NO311,312.58154.33(Dehydrolycoperoside G) FA or (Dehydrolycoperoside F) FA or (Dehydroesculeoside A) FA
27.050.12515.1193301sh, 323353, 335, 191, 179, 173C25H24O12515.1195−0.45Dicaffeoylquinic acid I
27.600.07515.1191301sh, 323353, 191, 179C25H24O12515.1195−0.72Dicaffeoylquinic acid II
29.710.07515.1188301sh, 327353, 299, 203, 191, 179, 173, 135C25H24O12515.1195−1.40Dicaffeoylquinic acid III
30.110.04887.2246256, 301sh, 323741, 723, 301, 271, 255, 179C41H44O22887.2251−0.57Quercetin-hexose-deoxyhexose-pentose-p-coumaric acid
32.160.03433.1137307sh, 360271, 151C21H22O10433.1140−0.84Naringenin chalcone-hexose II
38.400.08677.1503301sh, 327515C34H30O15677.1512−1.29Tricaffeoylquinic acid I
39.780.11677.1493292sh, 325515, 353, 335, 179, 173C34H30O15677.1512−2.82Tricaffeoylquinic acid II