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. 2019 Nov 9;24(22):4064. doi: 10.3390/molecules24224064

Table 1.

The detailed information of identified components in positive ion mode and negative ion mode byUHPLC-ESI-Q-TOF-MS/MS.

No. Rt m/z CAS&Pubchem ID Identification Adducts Formula Error (ppm) p-Value
1 1.01 132.0541 3130-87-8 Asparagine M − H2O − H, M − H C4H8N2O3 4.74 3.7 × 10−4
2 1.05 195.0513 70849-23-9 2,3,4,5-tetrahydroxypentanal M + FA − H C5H10O5 2.15 2.0 × 10−5
3 1.10 342.1158 57-50-1 Sucrose M − H, M + FA − H C12H22O11 −1.09 1.7 × 10−4
4 7.43 203.0829 73-22-3 L-Tryptophan M − H C11H12N2O2 1.58 6.1 × 10−3
5 10.23 161.0249 93-35-6 7-Hydroxycoumarin M − H C9H6O3 3.09 3.4 × 10−10
6 11.37 209.0460 25429-38-3 Coumaric Acid M + FA − H C9H8O3 3.00 7.7 × 10−5
7 11.72 431.0987 152-95-4 Sophoricoside M−H C21H20O10 0.77 1.5 × 10−6
8 12.88 283.0608 20575-57-9 Calycosin M − H C16H12O5 −1.52 2.5 × 10−3
9 12.91 447.1312 464196-55-2 Licoagroside D M − H C22H24O10 3.46 4.2 × 10−3
10 13.02 187.0979 66923-62-4 Azelaic acid M − H C9H16O4 1.61 2.9 × 10−3
11 13.40 299.0560 1447-88-7 Hispidulin M − H C16H12O6 −0.47 1.8 × 10−5
12 13.76 255.0663 961-29-5 Isoliquiritigenin M − H C15H12O4 0.07 2.3 × 10−2
13 13.76 463.1618 94367-43-8 Isomucronulatol 7-O-glucoside M − H C23H28O10 1.71 3.3 × 10−6
14 13.82 267.0658 485-72-3 Formononetin M − H C16H12O4 −1.66 9.1 × 10−09
15 14.09 971.4902 147540-80-5 Sophoraflavoside II M − H C48H76O20 4.61 1.2 × 10−3
16 14.42 271.0614 25515-46-2 Naringenin chalcone M − H C15H12O5 0.63 9.0 × 10−4
17 14.42 831.4781 170969-74-1 Cyclocanthoside E M + FA − H C41H70O14 4.21 4.1 × 10−4
18 14.85 827.4408 1037218-20-4 Eremophiloside J M + FA − H C41H66O14 −1.67 1.5 × 10−6
19 14.89 784.4650 84687-43-4 Astragaloside IV M − H, M + FA − H C41H68O14 4.28 2.6 × 10−8
20 15.17 942.5210 51330-27-9 Soyasaponin I M − H, M + FA − H C48H78O18 2.30 1.3 × 10−5
21 15.25 871.4705 84676-89-1 Astragaloside II M + FA − H C43H70O15 0.96 6.0 × 10−4
22 15.35 301.1075 20878-97-1 (−)-Mucronulatol M − H C17H18O5 −2.23 4.2 × 10−4
23 15.51 915.4903 156769-94-7 Agroastragaloside I M + FA − H C45H74O16 −4.90 1.9 × 10−4
24 15.60 909.4863 386273-42-3 Trojanoside I M − H C47H74O17 1.04 3.0 × 10−9
25 16.10 868.4847 84680-75-1 Astragaloside I M + Cl, M + FA − H C45H72O16 3.08 1.8 × 10−4
26 17.59 296.2344 80286-58-4 Artemisic Acid M − H2O − H, M − H, M + Cl C18H32O3 −2.37 6.9 × 10−4
27 1.08 543.1320 439336 Galactomannan M + K C18H32O16 −0.30 4.6 × 10−2
28 1.39 158.1173 108866-42-8 2-Epilentiginosine M + H C8H15NO2 −1.69 1.6 × 10−7
29 12.41 446.1217 20633-67-4 Calycosin-7-O-Beta-d-Glucoside M + H, M + Na C22H22O10 0.97 1.6 × 10−3
30 12.61 477.1388 113235-89-5 7,2′-Dihydroxy-3′,4′-dimethoxyisoflavone 7-O-glucoside M + H C23H24O11 −0.78 5.3 × 10−15
31 13.47 563.1392 27661-51-4 Leucoside M + H − H2O C26H28O15 −0.57 8.2 × 10−17
32 14.07 430.1267 486-62-4 Ononin M + H, M + Na C22H22O9 0.73 4.3 × 10−7
33 14.12 287.0911 122587-87-5 (3R)-3′,8-Dihydroxyvestitol M + H − H2O C16H16O6 −0.98 6.9 × 10−13
34 14.27 316.0946 158991-20-9 Astragaluquinone M + H, M + Na C17H16O6 −0.26 3.9 × 10−8
35 14.41 462.1519 94367-42-7 Methylnissolin-3-O-glucoside M + H, M + NH4, M + Na C23H26O10 −1.59 9.2 × 10−7
36 14.44 300.0988 72026-91-6 Astraciceran M + H − H2O, M + C17H16O5 −3.15 1.7 × 10−11
37 15.00 314.0791 3301-49-3 Kumatakenin M + H, M + Na, M + K C17H14O6 0.18 1.9 × 10−12
38 15.22 472.3549 465-99-6 Hederagenin M + H − H2O, M + H C30H48O4 −0.67 2.2 × 10−11
39 15.24 302.1150 158784-72-6 8-Methoxyvestitol M + H, M + Na C17H18O5 −1.51 1.3 × 10−6
40 15.49 316.0946 69359-09-7 Pendulone M + H−H2O, M H, M + Na C17H16O6 −0.24 8.9 × 10−4
41 15.86 490.3650 78574-94-4 Cycloastragenol M + H − H2O, M + Na C30H50O5 −1.68 4.5 × 10−10
42 15.88 807.4503 84687-42-3 Astragaloside III M + Na C41H68O14 0.18 1.9 × 10−9
43 16.20 298.0842 740-33-0 Mosloflavone M + H, M + Na C17H14O5 0.34 4.2 × 10−14
44 16.22 274.2743 57-10-3 hexadecanoic acid M + NH4 C16H32O2 1.05 2.4 × 10−2
45 16.22 301.1067 73340-41-7 3-Hydroxy-9,10-dimethoxyptercarpan M + H C17H16O5 −1.09 1.2 × 10−6
46 16.41 645.3974 101683491 Trigonoside I M + Na C35H58O9 0.12 2.2 × 10−7
47 16.44 620.3922 13943265 Cycloorbigenin 3-O-beta-d-xylopyranoside M + H − H2O, M + Na C35H56O9 −0.37 8.5 × 10−7
48 17.03 473.3617 86541-79-9 Astragenol M + H − H2O C30H50O5 −1.66 4.0 × 10−5
49 17.07 687.4079 133550435 Cyclogaleginoside A M + Na C37H60O10 0.11 4.0 × 10−8
50 18.42 279.2315 463-40-1 Linolenic acid M + H C18H30O2 −1.36 7.0 × 10−5
51 19.93 263.2367 693-77-6 Octadeca-9,12-dienoic acid M + H − H2O C18H32O2 −0.73 5.9 × 10−3
52 21.68 409.3823 545-47-1 Lupeol M + H − H2O C30H50O −1.45 2.1 × 10−2
53 21.93 397.3826 83-46-5 (−)-beta-Sitosterol M + H − H2O C29H50O −0.76 1.8 × 10−2