Table 1.
Identification of major chemical compounds from FTB by UPLC-QTOF-MS
| Peak no | RT (min) | Compounds | Molecular formula | Ion mode | Measured value (m/z) | Caculated value (m/z) | Error (ppm) | Major fragments |
|---|---|---|---|---|---|---|---|---|
| 1 | 1.67 | Sucrose | C12H22O11 | Negative | 341.1084 | 341.1094 | 0.29 | 179.0567, 142.9669 |
| 2 | 2.98 | Adenosine | C10H13N5O4 | Positive | 268.1051 | 268.1046 | − 0.19 | 136.0625, 119.0357, 94.0405, 92.0248 |
| 3 | 5.83 | Edpetiline | C33H53NO8 | Positive | 592.3854 | 592.3849 | − 0.08 | 574.3740, 430.3329, 157.1019,114.0920 |
| 4 | 5.93 | Peimisine-3-β-d-glucoside | C33H52NO8 | Positive | 590.3730 | 590.3693 | − 0.63 | 572.3584, 428.3155, 114.0917,67.0554 |
| 5 | 6.17 | Yibeissine | C27H41NO4 | Positive | 444.3154 | 444.3114 | − 0.90 | 426.3007, 157.1018, 114.0924, 81.0705 |
| 6 | 6.60 | Zhebeininoside | C33H55NO8 | Positive | 594.4093 | 594.4006 | − 1.46 | 576.3962, 414.3376, 396.3264, 157.1015 |
| 7 | 6.69 | Puqietinonoside | C34H57NO7 | Positive | 592.3939 | 592.3849 | − 1.52 | 574.3818, 412.3226, 394.3116 |
| 8 | 6.75 | Imperialine | C27H43NO3 | Positive | 430.3369 | 430.3321 | − 1.12 | 412.3214, 157.1017, 114.0924, 109.1021 |
| 9 | 7.03 | Peimisine | C27H41NO3 | Positive | 428.3261 | 428.3165 | − 2.24 | 410.3067, 114.0925, 81.0703,67.0552 |
| 10 | 7.25 | Peiminea | C27H45NO3 | Positive | 432.3593 | 432.3478 | − 2.66 | 414.3459, 398.3069, 396.3243, 138.1286 |
| 11 | 7.63 | Peimininea | C27H43NO3 | Positive | 430.3432 | 430.3321 | − 2.58 | 412.3300, 396.2911, 256.2069, 176.1447 |
| 12 | 7.84 | Yibeinoside B | C33H53NO7 | Positive | 576.3915 | 576.3900 | − 0.26 | 414.3376, 396.3264, 258.2223, 112.1129 |
| 13 | 8.37 | Isoverticine | C27H45NO3 | Positive | 432.3579 | 432.3478 | − 2.34 | 414.3441, 398.3060, 396.3239, 148.1132 |
| 14 | 8.47 | Hupeheninoside | C33H55NO7 | Positive | 578.4065 | 578.4057 | − 0.14 | 416.3524, 414.3376, 398.3417 |
| 15 | 8.92 | Ebeiedinone | C27H43NO2 | Positive | 414.3431 | 414.3372 | − 1.42 | 396.3266, 145.1019, 105.0708, 98.0973 |
| 16 | 9.17 | Zhebeirine | C27H43NO2 | Positive | 414.3416 | 414.3372 | − 1.06 | 396.3273, 290.2127, 136.0767 |
| 17 | 9.32 | Ebeiedine | C27H45NO2 | Positive | 416.3539 | 416.3529 | − 0.24 | 147.1179, 145.1024, 131.0866, 105.0707 |
| 18 | 9.74 | Puqiedine | C27H45NO2 | Positive | 416.3571 | 416.3529 | − 1.01 | 398.3422, 145.1019, 105.0707, 91.0549 |
| 19 | 16.66 | 9-Hydroxy-10,12-octadecadienoic acid | C18H32O3 | Negative | 295.2299 | 295.2273 | − 0.88 | 277.2171, 195.1391, 116.9295 |
| 20 | 17.15 | (9Z,12Z,15Z)-13-Hydroxy-9,12,15-octadecatrienoic acid | C18H30O3 | Negative | 293.2130 | 293.2117 | − 0.44 | 279.2314, 146.9660, 113.0987 |
| 21 | 20.30 | 9,12,15-Octadecatrienoic acid | C18H30O2 | Negative | 277.2181 | 277.2168 | − 0.47 | 255.2328, 225.9259, 116.9293 |
| 22 | 21.28 | (2E,4Z,7Z,10Z,13Z,16Z,19Z)-2,4,7,10,13,16,19-Docosaheptaenoic acid methyl ester (DAME) | C23H32O2 | Negative | 339.2338 | 339.2324 | − 0.41 | 279.2325, 164.1170, 163.1135, 147.0823 |
| 23 | 22.11 | Linoleic acid | C18H32O2 | Negative | 279.2361 | 279.2324 | − 1.33 | 255.2335, 116.9294, 99.9265 |
| 24 | 23.88 | Palmitic acid | C16H32O2 | Negative | 255.2334 | 255.2324 | − 0.39 | 183.0128, 116.9296, 96.9612 |
| 25 | 24.32 | Oleic acid | C18H34O2 | Negative | 281.2495 | 281.2481 | − 0.50 | 265.1478, 183.0127, 116.9297 |
| 26 | 26.89 | Stearic acid | C18H36O2 | Negative | 283.2661 | 283.2637 | − 0.85 | 279.2342, 255.2345, 183.0133, 96.9615 |
aCompared with standard compounds