Supplementary Table 1.
Marker peaks for ten herbs in Jia Wei Xiao Yao San.
| Herb | [M+H]+ of marker peak | Predominant peaks in MS/MS (relative intensity) | Possible identity | |
|---|---|---|---|---|
| 1. | Angelicae Sinensis Radix | 191.11 | 191.11 (100) | Butylphthalide |
| 173.10 (78) | ||||
| 163.11 (20) | ||||
| 145.10 (34) | ||||
| 117.07 (25) | ||||
| 91.06 (18) | ||||
| 2. | Moutan Radicis Cortex | 167.07 | 167.07 (100) | Paeonol |
| 149.06 (64) | ||||
| 121.06 (58) | ||||
| 3. | Atractylodis Macrocephalae Rhizoma | 217.16 | 217.16 (100) | Atractylon |
| 199.15 (11.3) | ||||
| 161.10 (10) | ||||
| 147.12 (9.3) | ||||
| 133.10 (6) | ||||
| 121.10 (5) | ||||
| 107.10 (4) | ||||
| 95.05 (6) | ||||
| 4. | Gardeniae Fructus | 151.11 | 151.11 (100) | 2,6,6-Trimethyl-1, 3-Cyclohexadiene-1-Carboxaldehyde |
| 135.12 (20) | ||||
| 123.1 (15) | ||||
| 109.10 (23) | ||||
| 95.1 (24) | ||||
| 93.07 (19) | ||||
| 5. | Bupleuri Radix | 155.10 | 139.08 (10) | Eucalyptol |
| 137.09 (10) | ||||
| 109.10 (100) | ||||
| 95.08 (29) | ||||
| 93.06 (23.8) | ||||
| 6. | Poria | 139.11 | 139.11 (100) | 2-Pentylfuran |
| 121.10 (9.3) | ||||
| 97.06 (9.0) | ||||
| 95.08 (9.0) | ||||
| 7. | Menthae Herba | 153.13 | 153.13 (100) | ① Cyclohexanone, 5-methyl-2-(1-methylethylidene)-② (E)-3 (10)-Caren-4-ol ③ 2-Cyclohexen-1-ol, 1-methyl-4-(1-methylethenyl)-, trans-④ Thujone |
| 135.1 (20) | ||||
| 111.08 (20) | ||||
| 109.11 (30) | ||||
| 107.08 (30) | ||||
| 97.06 (38) | ||||
| 95.07 (20) | ||||
| 93.07 (47) | ||||
| 8. | Paeoniae Alba Radix | 121.10 | 121.10 (100) | Not identified |
| 91.05 (31.8) | ||||
| 9. | Zingiberis Rhizoma | 137.13 | 137.13 (100) | Not identified |
| 107.09 (99) | ||||
| 95.09 (98) | ||||
| 10. | Glycyrrhizae Preparata Radix | 100.07 | 100.07 (100) | Not identified |
| 97.06 (4) |