Table 2 Chemical composition of ATS
No. | Identification | Molecular formula | tR (min) | Ion mode | Theoretical value | Measured value | Error (× 10–6) | Fragment ion |
|---|---|---|---|---|---|---|---|---|
1 | n-Methyltyramine | C9H13NO | 1.78 | [M + H]+ | 152.107 | 152.107 | 0.004 | 121.06, 103.05 |
2 | 9-hydroxynominine/tongolinine | C20H27NO2 | 1.81 | [M + H]+ | 314.211 | 314.211 | 2.341 | 296.15, 121.07 |
3 | Tangutisine | C20H27NO4 | 3.56 | [M + H]+ | 346.201 | 346.201 | 2.180 | 310.18, 247.15 |
4 | Hetisinone | C20H25NO3 | 3.76 | [M + H]+ | 328.191 | 328.190 | 2.286 | 310.18 |
5 | Tyramine | C8H11NO | 4.01 | [M + H]+ | 138.091 | 138.092 | −3.906 | 122.07, 121.08 |
6 | Heteratisine | C22H33NO5 | 5.54 | [M + H]+ | 392.243 | 392.242 | 2.018 | 360.22, 342.21 |
7 | Hordenine | C10H15NO | 5.84 | [M + H]+ | 166.123 | 166.122 | 2.713 | 147.047, 121.06, 119.05, 91.05 |
8 | Heterophyllidine | C21H31NO5 | 7.35 | [M + H]+ | 378.227 | 378.227 | 2.061 | 360.25 |
9 | Tanguticuline E | C20H25NO4 | 7.46 | [M + H]+ | 344.186 | 344.185 | 1.409 | 326.21, 121.07 |
10 | Tanwusine | C24H35NO6 | 8.14 | [M + H]+ | 434.254 | 434.253 | 2.359 | 312.20, 294.19 |
11 | 6-benzoylheteratisine | C22H33NO2 | 8.42 | [M + H]+ | 344.258 | 344.258 | 1.905 | 342.21, 307.23 |
12 | Atisine | C20H27NO3 | 9.17 | [M + H]+ | 330.206 | 330.206 | 2.151 | 326.25 |
13 | 13-o-acetylhetisine/11-acetylhetisine | C22H29NO4 | 10.56 | [M + H]+ | 372.217 | 372.216 | 1.759 | 312.20 |
14 | Acorine | C22H29NO5 | 10.64 | [M + H]+ | 388.212 | 388.212 | − 0.079 | 328.19, 310.18 |
15 | Navirine B | C30H40N2O3 | 16.98 | [M + H]+ | 477.311 | 477.311 | 0.355 | 459.30, 121.06 |
16 | Heterophylline | C21H31NO4 | 17.04 | [M + H]+ | 362.233 | 362.232 | 2.719 | 344.19 |
17 | Phenylalanine | C9H11NO2 | 18.30 | [M + H]+ | 166.086 | 166.086 | 2.139 | 149.13, 121.07 |
18 | Quercetin-3-o-[β-d-glucose-(1 → 3)-(4-o-trans-p-coumaroyl)]-α-l-rhamnose-(1 → 6)-β-d-mannose-7-o-β-d-grape Glucosides | C45H60O30 | 11.33 | [M−H]− | 1079.310 | 1079.309 | 1.013 | 917.25, 771.18, 609.15, 301.03 |
19 | Quercetin-3-o-[β-d-glucose-(1 → 3)-(4-o-E-p-coumaroyl)]-α-l-rhamnose-(1 → 6)-β-d-galactoside-7-o-α-l-rhamnoside | C48H56O27 | 12.36 | [M−H]− | 1063.294 | 1063.293 | 0.385 | 609.14, 301.03 |
20 | Kaempferol-3-o-[β-d-glucose-(1 → 3)-(4-o-E-p-coumaroyl)]-α-l-rhamnose-(1 → 6)-β-d-glucose-7-o-α-l-rhamnose Glycosides | C48H56O26 | 13.22 | [M−H]− | 1047.299 | 1047.298 | 0.234 | 593.15, 285.04 |