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) |