Peak.No | t R (min) | Identity | Formula | Selected ion | m/z | Error (ppm) | |
---|---|---|---|---|---|---|---|
 |  |  |  |  | Theoretical | Experimental | |
1 | 7.735 | Gallic acid | C7H6O5 | [M − H]− | 169.0142 | 169.0144 | −1.13 |
2 | 13.308 | Hypaconine | C24H39NO8 | [M − H]− | 468.2603 | 468.2598 | −0.61 |
3 | 29.390 | Kakuol | C10H10O4 | [M − H]− | 193.0506 | 193.0503 | 1.66 |
4 | 31.643 | Rhein-8-O-β-D-glucopyranoside | C21H18O11 | [M − H]− | 445.0776 | 445.0778 | −0.84 |
5 | 31.809 | Safrole | C10H10O2 | [M − H]− | 161.0608 | 161.0614 | −0.01 |
6 | 32.076 | Benzoylmesaconine | C31H43NO10 | [M − H]− | 588.2824 | 588.2825 | −0.85 |
7 | 32.744 | Kaempferol 3-glucoside | C21H20O11 | [M − H]− | 447.0933 | 447.0938 | −0.95 |
8 | 34.012 | Sesamin | C20H18O6 | [M − H]− | 353.1031 | 353.1038 | 1.6 |
9 | 35.180 | α-Asarone | C12H16O3 | [M − H]− | 207.1027 | 207.1026 | 0.08 |
10 | 35.396 | Benzoylaconitine | C32H45NO10 | [M − H]− | 602.2971 | 602.2973 | −0.8 |
11 | 38.783 | Ehrysophanol-8-O-β-D-glueopyranoside | C21H20O9 | [M − H]− | 415.1035 | 415.1038 | −0.67 |
12 | 38.950 | Aloeemodin-ω-β-D-glucopyranoside | C21H20O10 | [M − H]− | 431.0984 | 431.0985 | −0.38 |
13 | 40.985 | Kaempferol | C15H10O6 | [M − H]− | 285.0405 | 285.0409 | −1.49 |
14 | 42.737 | Rhein | C15H8O6 | [M − H]− | 283.0248 | 283.0252 | −1.87 |
15 | 43.588 | Methyleugenol | C11H14O2 | [M − H]− | 177.0921 | 177.0918 | 4.28 |
16 | 45.907 | Emodin | C15H10O5 | [M − H]− | 269.0455 | 269.0459 | −1.25 |
17 | 49.060 | Chrysophanic acid | C15H10O4 | [M − H]− | 253.0506 | 253.0501 | 0.06 |