No. | Ingredients | Category | tR (min) | Formula | CAS Number | Molecular Weight | Measured m/za | Errorb (ppm) |
---|---|---|---|---|---|---|---|---|
1 | 6-Hydroxy-7,8-dimethoxycoumarin | Coumarin | 4.16 | C11H10O5 | 107078-01-3 | 222.0528 | 223.0600 | -0.4 |
2 | Isoscopoletin | Coumarin | 4.15 | C10H8O4 | 776-86-3 | 192.0423 | 193.0497 | 0.8 |
3 | 6,7-Dimethoxycoumarin | Coumarin | 4.37 | C11H10O4 | 120-08-1 | 206.0579 | 207.0650 | -0.8 |
4 | Kaempferol-3-O-rutinoside | Flavone | 3.82 | C27H30O15 | 17650-84-9 | 594.1584 | 595.1653 | -0.8 |
5 | Quercetin * | Flavone | 4.34 | C15H10O7 | 117-39-5 | 302.0427 | 303.0498 | -0.5 |
6 | Luteolin * | Flavone | 4.53 | C15H10O6 | 491-70-3 | 286.0477 | 287.0549 | -0.3 |
7 | Scutellarein | Flavone | 4.53 | C15H10O6 | 529-53-3 | 286.0477 | 287.0549 | -0.3 |
8 | Isorhamnetin * | Flavone | 4.58 | C16H12O7 | 480-19-3 | 316.0583 | 317.0657 | 0.4 |
9 | 5,7,3’-Trihydroxy-6,4’,5’-trimethoxyflavone | Flavone | 5.91 | C18H16O8 | 78417-26-2 | 360.0845 | 361.0919 | 0.3 |
10 | Hydroxygenkwanin * | Flavone | 6.09 | C16H12O6 | 20243-59-8 | 300.0634 | 301.0707 | 0.1 |
11 | Eupatilin * | Flavone | 6.52 | C18H16O7 | 22368-21-4 | 344.0896 | 345.0969 | 0.0 |
12 | Genkwanin | Flavone | 7.18 | C16H12O5 | 437-64-9 | 284.0685 | 285.0758 | 0.1 |
13 | Irisflorentin | Flavone | 7.30 | C20H18O8 | 41743-73-1 | 386.1002 | 387.1077 | 0.8 |
14 | Phenylalanine | Organic Acid | 2.84 | C9H11NO2 | 63-91-2 | 165.0790 | 166.0864 | 0.9 |
15 | 8-Epiloganic acid | Organic Acid | 3.91 | C16H24O10 | 82509-41-9 | 376.1369 | 377.1445 | 0.7 |
16 | Chlorogenic acid * | Organic Acid | 5.23 | C16H18O9 | 327-97-9 | 354.0951 | 355.1022 | -0.3 |
17 | Linolenic acid | Organic Acid | 10.70 | C18H30O2 | 463-40-1 | 278.2246 | 279.2319 | 0.1 |
18 | α-Asarone | Phenylpropanoid | 4.81 | C12H16O3 | 2883-98-9 | 208.1099 | 209.1174 | 1.0 |
19 | Salidroide + NH3 | Phenyl glycoside | 3.45 | C14H20O7.NH3 | 10338-51-9 | 317.1475 | 318.1546 | -0.4 |
20 | Sedanolide | Phenphthalide | 7.23 | C12H18O2 | 6415-59-4 | 194.1307 | 195.1381 | 0.8 |
21 | Aurantio-obtusin | Anthraquinone | 6.01 | C17H14O7 | 67979-25-3 | 330.0739 | 331.0809 | -0.8 |
22 | Ethyl vanillin | Phenol | 3.59 | C9H10O3 | 121-32-4 | 166.0630 | 167.0703 | 0.5 |
23 | Butylparaben | Phenol | 4.88 | C11H14O3 | 94-26-8 | 194.0943 | 195.1018 | 1.0 |
24 | 6-Shogaol | Phenol | 7.68 | C17H24O3 | 555-66-8 | 276.1725 | 277.1799 | 0.4 |
25 | Genipin | Terpene | 3.84 | C11H14O5 | 6902-77-8 | 226.0841 | 227.0915 | 0.3 |
26 | Curcumenol | Terpene | 7.10 | C15H22O2 | 19431-84-6 | 234.1620 | 235.1692 | -0.2 |
27 | Linderane | Terpene | 8.12 | C15H16O4 | 13476-25-0 | 260.1049 | 261.1124 | 1.0 |
28 | Patchouli alcohol (loss H2O) | Terpene | 8.21 | C15H24 | 5986-55-0 | 204.1878 | 205.1950 | -0.3 |
29 | Anise oil | Volatile oil | 4.81 | C10H12O | 4180-23-8 | 148.0888 | 149.0962 | 0.5 |
30 | Vitamin B6 | Alkaloid | 2.57 | C8H11NO3 | 65-23-6 | 169.0739 | 170.0812 | 0.2 |
31 | Nicotinamide | Alkaloid | 2.73 | C6H6N2O | 98-92-0 | 122.0480 | 123.0554 | 0.8 |
32 | Cordycepin | Alkaloid | 3.20 | C10H13N5O3 | 73-03-0 | 251.1018 | 252.1089 | -0.9 |
33 | Bicuculline | Alkaloid | 3.71 | C20H17NO6 | 485-49-4 | 367.1056 | 368.1125 | -1.0 |
34 | Piperine | Alkaloid | 4.69 | C17H19NO3 | 94-62-2 | 285.1365 | 286.1439 | 0.4 |