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. 2023 May 8;6:100509. doi: 10.1016/j.crfs.2023.100509

Table 2.

Retention time (Rt), MS-MS fragments of important ions present in the mass spectra of seven flavonols degraded products in boiling water via UPLC-Q-tof-MS.

Compounds Rt (min) Molecular [M-H]- MS-MS fragment
Myricetin in 100 °C water
A1 1.08 169.0218 169.0335, 151.0199, 125.0394, 107.0280, 97.0427
A2 1.83 169.0214 169.0312, 151.0196, 125.0365, 107.0277, 83.0263
A3 3.79 333.0300 287.0475, 259.0468, 253.0421, 207.0115, 125.0385
A4 4.94 153.0264 153.0350, 151.0196, 107.0270
Not identified 6.75 301.0041 301.0213, 273.0239, 245.0290, 229.0335, 201.0374,
Myricetin 7.02 317.0371 317.0535, 289.0568, 271.0453, 227.0546, 193.0314,
Not identified 8.13 343.0146 343.0325, 325.0217, 315.0358, 299.0407, 287.0403, 269.0296, 229.0333, 151.0194
A5 8.62 331.0142 287.0406, 259.0452, 215.0531, 187.0581
Kaempferol in 100 °C water
B1 0.85 125.0328 97.0553, 83.0464, 77.0204
B2 1.09 169.0222 153.0353, 151.0208, 125.0423, 107.0289, 83.0283
B3 1.79 169.0223 169.0316, 151.0206, 125.0396, 107.0285, 83.0278
B4 3.44 137.0329 111.0259, 93.0484, 75.0389
B5 5.10 153.0275 153.0222, 151.0083, 125.0318
B6 6.61 409.0604 393.0736, 363.0708, 319.0810, 298.0355, 257.0653, 243.0527, 277.0541, 211.0621, 151.0200, 107.0279
B7 6.96 467.0638 449.0705, 405.0871, 377.0896, 337.0966, 297.0615, 285.0610, 269.0682, 253.0714, 181.0209, 137.0403,
Kaempferol 8.33 285.0504 285.0622, 255.0509, 239.0547, 227.0545, 211.0589, 187.0580, 159.0617, 143.0661, 117.0497
Not identified 9.23 569.0735 551.0902, 499.0782, 405.0862, 311.0419, 257.0656, 239.0547, 151.0201
Galangin in 100 °C water
C1 0.87 125.0322 117.0021, 83.0279, 57.0460
C2 1.09 169.0200 151.0169, 125.0362, 107.0261, 83.0253
C3 1.83 169.0168 169.0279, 151.0172, 125.0372, 107.0266, 83.0258
C4 2.37 121.0372 No data obtained
C5 5.05 153.0269 151.0169, 125.0506, 107.0236
C6 9.21 393.0533 377.0792, 321.0912, 269.0609, 169.0789, 123.0214
Galangin 9.57 269.055 269.0657, 252.0582, 227.0502, 197.0753, 169.0799,
C7 10.29 451.0570 435.0387, 385.0263, 269.0604, 255.0695, 169.0276, 163.0170, 151.0165, 137.0376
Fisetin in 100 °C water
D1 0.70 183.0386 137.0413, 121.0454, 109.0447, 93.0491
D2 1.12 181.0232 135.0257, 109.0451, 91.0334
D3 2.16 153.0288 153.0326, 109.0424, 91.0208, 81.0466
D4 3.31 269.0526 269.0691, 241.0730, 225.0770, 197.0805, 183.0640
D5 4.30 153.0288 153.0334, 109.0420, 67.0287
D6 5.31 137.0336 137.0412, 135.0259, 109.0449, 91.0339
D7 6.16 301.0190 301.0515, 285.0951, 271.0404, 255.0466, 277.0501, 211.0566, 201.0689, 183.0592, 151.0163
D8 6.85 273.0477 257.0535, 197.0442, 163.0207, 135.0261, 109.0454,
Fisetin 7.35 285.0588 285.0652, 257.0687, 229.0728, 163.0225, 135.0263, 121.0461, 91.0337
D9 7.60 283.0232 283.0491, 255.0527, 277.0566, 211.0607, 182.0646, 171.0639, 147.0265, 135.026, 119.0303, 91.0337
Myricitrin in 100 °C water
E1 0.88 125.0312 83.0230
E2 1.12 169.0219 151.0188, 107.0223, 83.0281
E3 1.90 169.0221 151.0114, 125.0369, 107.0236, 83.0259
Not identified 3.66 355.0718 355.0827, 309.0769, 153.0246, 83.0295
E4 5.29 469.0733 453.0736, 421.0406, 381.0408, 327.0260, 319.0400, 267.0326, 179.0078, 151.0188, 125.0405
E5 6.04 455.0768 39.0960, 423.0494, 407.0341, 393.0391, 287.0299
Myricitrin 6.70 463.0931 445.0908, 317.0420, 271.0381, 179.0105, 151.0151
Not identified 6.94 509.0780 417.0436, 333.0132, 317.0474, 301.0462, 271.0330,
Not identified 8.18 733.0981 587.0588, 475.1033, 393.0396, 307.0349
Quercitrin in 100 °C water
F1 5.28 445.0815 445.0968, 415.0592, 299.0359, 221.0310
F2 6.03 445.0823 299.0346, 271.0384, 227.0472, 197.0065
Quercitrin 7.17 447.1078 447.0257, 373.0764, 301.0518, 271.0414, 255.0460,
F3 8.22 453.0981 375.0719, 301.0504, 285.0567, 271.0390, 223.0270
Rutin in 100 °C water
G1 4.72 607.1331 581.0595, 453.1035, 299.0438, 171.9053
G2 6.13 607.1141 601.0953, 583.0806, 419.0679, 301.0570, 151.0197
G3 6.36 607.1290 607.1645, 315.0381, 301.0576, 287.0422, 151.0198
Rutin 6.71 609.1500 609.1802, 373.0816, 343.0704, 301.0581, 271.0464,
G4 7.13 607.1299 607.1656, 443.0902, 317.0535, 259.0462, 151.0201