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. 2020 Mar 11;25(6):1264. doi: 10.3390/molecules25061264

Table 2.

Characterization of phenolamines in the 50% fraction of rape bee pollen by HPLC-ESI-QTOF-MS/MS in negative ion mode.

Peak RT (min) [M–H]–(m/z) MS2 ion Fragments (m/z) Proposed Formula Error (ppm) Tentative Identification Reference
4 28.055 436.2247 119.0500, 316.1677 C25H31N3O4 1.24 di-p-coumaroyl spermidine 22
5 29.079 436.2241 119.0505, 316.1673 C25H31N3O4 0.08 di-p-coumaroyl spermidine 22
6 29.882 436.2245 119.0498, 316.1669 C25H31N3O4 0.42 di-p-coumaroyl spermidine 22
7 37.234 701.3173 135.0452, 165.0560, 399.2043, 535.2560, 555.2834, 565.2671 C38H46N4O9 2.53 p-coumaroyl caffeoyl hydroxyferuloyl spermine *
8 39.080 685.3245 119.0503, 145.0284, 165.0557, 399.2039, 519.2608 C38H46N4O8 0.08 di-p-coumaroyl hydroxyferuloyl spermine *
9 40.087 685.3247 119.0499, 145.0287, 165.0557, 399.2045, 519.2619 C38H46N4O8 0.43 di-p-coumaroyl hydroxyferuloyl spermine *
10 40.576 685.3190 119.0505, 145.0279, 165.0534, 399.2058, 519.2603 C38H46N4O8 1.68 di-p-coumaroyl hydroxyferuloyl spermine *
11 45.453 439.1684 135.0447, 161.0243, 165.0556, 415.2000 C16H24N8O7 1.39 unknown
12 46.060 439.1667 135.0448, 161.0241, 165.0553, 415.1984 C16H24N8O7 1.60 unknown
13 47.839 582.2604 119.0491, 145.0291, 342.1464, 462.2025 C34H37N3O6 0.90 tri-p-coumaroyl spermidine 23
14 48.948 582.2599 119.0498, 145.0302, 342.1457, 462.2035 C34H37N3O6 1.62 tri-p-coumaroyl spermidine 23
15 49.033 582.2607 119.0501, 145.0296, 342.1463, 462.2027 C34H37N3O6 0.54 tri-p-coumaroyl spermidine 23
16 49.790 582.2602 119.0501, 145.0294, 342.1464, 462.2036 C34H37N3O6 1.28 tri-p-coumaroyl spermidine 23
17 50.835 582.2602 119.0494, 145.0286, 342.1459, 462.2032 C34H37N3O6 1.21 tri-p-coumaroyl spermidine 23

* Phenolamines identified for the first time in rape bee pollen in this study.