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. 2020 Feb 26;25(5):1049. doi: 10.3390/molecules25051049

Table 3.

TOF-MS and TOF-MS/MS of tentatively identified flavonol glycosides in the investigated hempseed fraction. RT = Retention Time; RDB = Ring Double Bond equivalent value. Compounds were numbered based on their RT in the whole LnHS chromatogram.

RT
(min)
Tentative Assignment Formula [M − H] calc.
(m/z)
[M − H]
found
(m/z)
Error (ppm) RDB MS/MS Fragment Ions (m/z) and Relative Intensity (%)
3 6.204 Quercetin pentoside C20H18O11 433.0776 433.0777 0.1 12 433.0823(9.8); 301.0362(29.4); 300.0273(100); 271.0250(69.4); 255.0304(31.7); 243.0304(12.2); 227.0358(5.3); 151.0036(10.3)
7 6.829 Quercetin-O-deoxyhexoside C21H20O11 447.0933 447.0937 0.9 12 447.0947(8.1); 301.0357(59.7); 300.0276(100); 271.0244(56.9); 255.0294(36.2); 243.0291(12.1); 227.0344(7.2); 178.9988(6.6); 151.0036(14.1)
9 7.157 Kaempferol pentoside 1 C20H18O10 417.0827 417.0828 0.2 12 417.0837(16.3); 285.0406(14.1); 284.0328(80.4); 256.0378(8.1); 255.0299(100); 227.0352(77.8); 211.0398(5.4)
10 7.596 Kaempferol pentoside 2 C20H18O10 417.0827 417.0832 1.1 12 417.0848(7.1); 285.0408(34.4); 284.0329 (78.6); 256.0373(7.7); 255.0303 (100); 229.0503(8.9); 227.0351(71.4); 183.0452(5.3)
12 8.011 Kaempferol-O-deoxyhexoside 1 C21H20O10 431.0984 431.0984 0.1 12 431.1010(10.5); 285.0413(100); 284.0333(80.2); 257.0463(7.1); 256.0388(6.8); 255.0308(94.1); 229.0508(13.8); 227.0355(70.0); 211.0406(5.9); 183.0455(5.6)
14 8.032 Kaempferol-O-deoxyhexoside 2 C12H22O6 431.0984 431.0990 1.5 12 431.0988(12.6); 285.0400(82.9); 284.0321(92.7); 272.9218(3.3); 257.0443(5.6); 256.0360(5.9); 255.0294(100); 239.0351(3.2); 229.0501(11.3); 227.0346(61.7); 211.0399(5.4); 197.0590(3.4); 187.0385(5.3); 183.0452(3.4); 169.0649(1.7); 163.0035(2.4); 159.0452(1.6)
18 8.561 Quercetin-7-O-acetyldeoxyhexose C23H22O12 489.1039 489.1040 0.3 13 489.1062(9.2); 429.0826(2.1); 409.1575(1.6); 397.1557(2.0); 315.0667(2.4); 301.0361(14.3); 300.0278(100); 299.0194(1.8); 271.0256(42.8); 269.0716(9.8); 255.0301(21.6); 243.0303(6.5); 227.0367(14.0); 178.9995(11.1); 151.0048(9.3)