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Number | Retention time (min) | Molecular formula | [M − H]− () (mass accuracy (ppm)) | [M + HCOO]− () (mass accuracy (ppm)) | [M + H]+ () (mass accuracy (ppm)) | Identification | Origins |
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1 | 2.48 | C7H6O5 | 169.0142 (3.55) | | | Gallic acid | Paeoniae radix alba [10] |
2 | 4.46 | C27H32O14 | 579.1719 (4.83) | | | Naringin | Aurantii Fructus Immaturus [11] |
3 | 5.86 | C28H34O15 | 609.1825 (4.76) | | | Neohesperidin | Aurantii Fructus Immaturus [11] |
4 | 6.27 | C28H34O14 | 593.1876 (4.38) | | | Poncirin | Aurantii Fructus Immaturus [11] |
5 | 6.40 | C17H24O11 | | 449.1327 (5.79) | | Gardenoside | Gardeniae Fructus [12] |
6 | 8.26 | C23H34O15 | | 595.1915 (5.88) | | Genipin-1-β-gentiobioside | Gardeniae Fructus [12] |
7 | 8.40 | C16H18O9 | 353.0899 (5.95) | | | Chlorogenic acid | Gardeniae Fructus [12] |
8 | 9.14 | C17H24O10 | | 433.1379 (5.77) | | Geniposide | Gardeniae Fructus [12] |
9 | 9.82 | C23H28O11 | | | 481.1676 (−5.82) | Albiflorin | Paeoniae radix alba [10] |
10 | 11.63 | C26H30O13 | 549.1646 (5.18) | | | Liquiritin-apioside or isomer | Glycyrrhizae Radix et Rhizoma [13] |
11 | 11.81 | C21H22O9 | 417.1216 (5.99) | | | Liquiritin | Glycyrrhizae Radix et Rhizoma [13] |
12 | 12.43 | C41H32O26 | 939.1170 (6.50) | | | Pentagalloylglucose | Paeoniae radix alba [10] |
13 | 13.09 | C25H24O12 | 515.1225 (5.82) | | | Isochlorogenic acid A | Gardeniae Fructus [12] |
14 | 13.47 | C23H28O11 | | 525.1644 (5.71) | | Paeoniflorin | Paeoniae radix alba [10] |
15 | 15.99 | C32H40O16 | | 725.2346 (6.62) | | 6′′-O-trans-p-cinnamoyl genipingentiobioside | Gardeniae Fructus [12] |
16 | 17.87 | C44H64O18 | | | 881.412 (−6.24) | 22β-Acetoxyglycyrrhizin acid | Glycyrrhizae Radix et Rhizoma [13] |
17 | 18.11 | C32H44O14 | | 651.2700 (6.45) | | cis-Crocin2/trans-crocin2/cis-crocin2′/trans-crocin2′ | Gardeniae Fructus [12] |
18 | 19.68 | C30H48O6 | | | 505.3493 (−6.13) | 16-Oxo-alisol A | Alismatis Rhizoma [14] |
19 | 20.25 | C42H62O16 | | | 823.4068 (−5.22) | Glycyrrhizic acid | Glycyrrhizae Radix et Rhizoma [13] |
20 | 20.26 | C44H70O14 | | 867.4799 (5.88) | | O-Acetyl-saikosaponin or isomer | Bupleuri Radix [15] |
21 | 20.41 | C32H50O7 | | | 547.3599 (−5.48) | 16-Oxo-alisol A acetate | Alismatis Rhizoma [14] |
22 | 20.76 | C17H14O7 | 329.0685 (5.47) | | | Aurantio-obtusin | Cassiae Semen [16] |
23 | 20.86 | C42H68O13 | | 825.4694 (6.30) | | Saikosaponin a | Bupleuri Radix [15] |
24 | 21.08 | C42H68O13 | | 825.4693 (6.18) | | Saikosaponin d | Bupleuri Radix [15] |
25 | 21.26 | C44H70O14 | | 867.4799 (5.88) | | O-Acetyl-saikosaponin or isomer | Bupleuri Radix [15] |
26 | 23.47 | C21H20O11 | 367.1187 (4.90) | | | Kaempferol 3-O-galactoside | Nelumbinis Folium [17] |
27 | 23.52 | C31H50O4 | | | 487.3391 (−5.54) | Tumulosic acid | Poria [18] |
28 | 23.55 | C30H48O5 | | | 489.3576 (0.20) | Alisol F | Alismatis Rhizoma [14] |
29 | 24.65 | C16H12O5 | 283.0627 (5.30) | | | Obtusifolin | Cassiae Semen [16] |
30 | 25.05 | C22H22O6 | | | 383.1468 (−6.00) | Licoricone | Glycyrrhizae Radix et Rhizoma [13] |
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