|
No. | tR (min) | Measured value | MS/MS | Formula | Identification | Error (ppm) | Source |
|
1 | 1.07 | 175.1188 | 158.0922; 130.0974; 116.0704; 70.0657 | C6H14N4O2 | Arginine [24] | 0.57 | Rhizoma arisaematis |
2 | 1.14 | 295.0961 | 277.1029; 259.0919; 241.0819; 211.0710 | C18H14O4 | Isoimperatorin [25] | 1.36 | Saposhnikovia divaricata |
3 | 1.15 | 127.0389 | 109.0285 | C6H6O3 | 5-Hydroxymethyl-2-furaldehyde [19] | 1.57 | Angelica sinensis |
4 | 1.16 | 145.0494 | 127.0389; 109.0287 | C6H8O4 | Pyranone [26] | 1.38 | Glycyrrhiza uralensis |
5 | 1.22 | 305.1015 | 287.1230; 273.1275 | C16H16O6 | Hesperetin dihydrochalcone [24] | 1.64 | Clove |
6 | 1.23 | 280.1390 | 262.1281 | C11H21NO7 | N-Fructosyl valine [24] | 0.36 | Rhizoma arisaematis |
7 | 1.24 | 256.0724 | 147.0442 | C15H12O4 | Liquiritigenin [16] | 4.69 | Glycyrrhiza uralensis |
8 | 1.28 | 230.1531 | 166.0857; 145.0491; 128.1065 | C15H19ON | Atractylenolactam [22] | 3.48 | Atractylodes macrocephala koidz |
9 | 1.82 | 121.0648 | 105.0449; 93.0702 | C8H8O | 1-Acetophenone [19] | 0 | Angelica sinensis |
10 | 3.62 | 394.2514 | 376.2479; 358.2379 | C22H35NO5 | Karakolidine [13] | −1.01 | Radix aconiti kusnezoffii |
11 | 5.38 | 166.1262 | 148.1120; 133.0887; 117.0701 | C10H15NO | Ephedrine/pseudoephedrine [26] | 1.20 | Ephedra |
12 | 5.38 | 148.1120 | 133.0887 | C10H13N | 5,6,7,8-Tetrahydro-4-methylquinoline [26] | 0.68 | Ephedra |
13 | 5.48 | 408.2646 | 390.2631 | C23H37NO5 | Isotalatizidine [13] | 4.90 | Radix aconiti kusnezoffii |
14 | 5.49 | 378.2634 | 360.2529 | C22H35NO4 | Carmichaeline [27] | 1.32 | Aconitum carmichaelii debx |
15 | 5.59 | 355.2476 | 337.0915; 319.0813; 301.0712 | C20H34O5 | Incensole trioxide [19] | 0.84 | Frankincense |
16 | 5.62 | 360.2437 | 342.2431 | C22H33NO3 | Napelline [13] | 5.00 | Radix aconiti kusnezoffii |
17 | 5.64 | 180.1382 | 162.1276; 147.1041; 132.0813 | C11H17NO | Mephedrone [26] | 0.56 | Ephedra |
18 | 5.66 | 408.2745 | 390.2631 | C23H37NO5 | Talatizidine [27] | −0.24 | Aconitum carmichaelii debx |
19 | 5.73 | 193.0494 | 161.0596; 133.0648; 149.0589; 105.0702 | C10H8O4 | Scopoletin [25] | 0.52 | Saposhnikovia divaricata |
20 | 5.81 | 358.2372 | 340.2267 | C22H31NO3 | Songorine [13, 25] | 1.40 | Aconitum carmichaelii debx/radix aconiti kusnezoffii |
21 | 5.95 | 355.1533 | 337.0915; 319.0809 | C21H22O5 | 14-Acetyl-kirilightacyl-12-transtractylodes triol [21] | 1.97 | Atractylodes macrocephala koidz |
22 | 6.06 | 417.1176 | 399.1070; 381.0966; 351.0860 | C21H20O9 | Puerarin [17] | 0.96 | Radix puerariae |
23 | 6.19 | 454.2795 | 436.2694; 404.2429 | C24H39NO7 | Fuziline [13, 25] | 0.88 | Aconitum carmichaelii debx/radix aconiti kusnezoffii |
24 | 6.26 | 447.1281 | 429.1180; 411.1072; 393.0968 | C22H22O10 | Oxyayanin b trimethyl ether [17] | 1.12 | Radix puerariae |
25 | 6.41 | 438.2542 | 420.2742; 388.2481 | C24H39NO6 | Neoline [13, 25] | 1.83 | Aconitum carmichaelii debx/radix aconiti kusnezoffii |
26 | 6.60 | 417.1183 | 255.0649 | C21H20O9 | Daidzin [17] | −0.72 | Radix puerariae |
27 | 6.77 | 422.2836 | 390.2633 | C24H39NO5 | Talatizamine [13] | −3.08 | Radix aconiti kusnezoffii |
28 | 6.95 | 344.2508 | 326.2475 | C22H33NO2 | Bullatine A [13] | −0.58 | Radix aconiti kusnezoffii |
29 | 7.05 | 549.1598 | 531.1501; 513.1383; 495.1281; 411.1072; 393.0967; 375.0859 | C26H28O13 | Chrysin-6-C-arabinose-8-C-glucoside [28] | 0.91 | Radix scutellariae |
30 | 7.16 | 163.0389 | 135.0441; 117.0337; 105.0704; 89.0390 | C9H6O3 | Umbelliferone [25] | 0.61 | Saposhnikovia divaricata |
31 | 7.20 | 286.1434 | 269.1169; 239.0707; 237.0909; 209.0961; 194.0724; 143.0491; 115.0544 | C17H19NO3 | Coclaurine [29] | 1.40 | Radix linderae |
32 | 7.20 | 463.0861 | 287.0546 | C21H18O12 | 5,7-dihydroxyl-2′-methoxyflavone-7-O-Gluconaldehyde [28] | 2.16 | Radix scutellariae |
33 | 7.20 | 208.0966 | 165.0909; 150.0678 | C11H13NO3 | Thalietrine [17] | 0.96 | Rhizoma coptidis |
34 | 7.23 | 245.1170 | 227.0700; 199.0752; 141.0696; 128.0624; 115.8399; 91.0546 | C15H16O3 | Linderalactone [29] | 0.82 | Radix linderae |
35 | 7.27 | 319.1172 | 301.1067; 283.0962; 255.1013; 227.1065; 164.0467 | C17H18O6 | Agarotetrol [30] | 1.25 | Aquilaria agallocha |
36 | 7.49 | 581.1868 | 435.1288; 273.0755; 153.0182 | C27H32O14 | Naringenin [14] | −0.52 | Rhizoma drynariae |
37 | 7.54 | 453.1750 | 291.1222; 273.1117; 259.0960; 243.0649; 219.0649; 205.0494 | C22H28O10 | 5-O-Methylvisammioside [31] | 1.10 | Saposhnikovia divaricata |
38 | 7.57 | 319.1169 | 301.1065; 283.0960; 255.1012; 227.1063; 164.0466 | C17H18O7 | Aquilarone B [30] | 2.19 | Aquilaria agallocha |
39 | 7.65 | 317.0653 | 302.0419; 285.0396 | C16H12O7 | Rhamnetin/isorhamnetin [24] | 0.95 | Clove |
40 | 7.80 | 611.1964 | 449.1447; 413.1447; 431.1324; 369.0963; 345.0966; 303.0859; 263.0545 | C28H34O15 | Neohesperidin [32, 33] | 0.98 | Qingpi |
41 | 7.95 | 477.1024 | 301.0703; 286.0468 | C22H20O12 | 5,7,2′-trihydroxy-6-methoxyflavone-7-O-glucuraldehyde glycosides [28] | 0.63 | Radix scutellariae |
42 | 8.28 | 419.1335 | 257.0806; 239.0702; 229.0858 | C21H22O9 | Liquiritin [26] | 0.48 | Glycyrrhiza uralensis |
43 | 8.28 | 419.1720 | 223.9430; 211.0752 | C22H26O8 | Flavaspidic acid ab [34] | −4.77 | Guanzhong |
44 | 8.31 | 339.1454 | 323.1136; 294.1117 | C20H20NO4 | Jatrorrhizine [17] | 3.24 | Rhizoma coptidis |
45 | 8.33 | 590.2904 | 572.2814; 540.2599; 508.2399 | C31H43NO10 | 14-benzoylmesaconine [13] | −3.90 | Radix aconiti kusnezoffii |
46 | 8.37 | 271.0598 | 253.0493; 243.0549 | C15H10O5 | 7,8,4′-Trihydroxyisoflavone [17] | 1.11 | Radix puerariae |
47 | 8.49 | 447.0930 | 271.0598; 253.0494 | C21H18O11 | Baicalin [28] | −1.79 | Radix scutellariae |
48 | 8.50 | 431.1340 | 269.0805 | C22H22O9 | Ononin [17] | −0.93 | Radix puerariae/Glycyrrhiza uralensis |
49 | 8.51 | 269.0434 | 241.0492 | C15H8O5 | Coumestrol [17] | 3.72 | Radix puerariae |
50 | 8.69 | 604.3008 | 586.3019; 572.2835; 554.2741; 540.2741; 522.2476 | C32H45NO10 | 14-Benzoylaconine [13] | 4.96 | Radix aconiti kusnezoffii |
51 | 8.69 | 255.0647 | 237.0543; 227.0699; 199.0751 | C15H10O4 | Daidzein [17] | 1.96 | Radix puerariae |
52 | 8.72 | 193.1221 | 175.0753; 147.0441 | C12H16O2 | 4-n-Pentylbenzoic acid [24] | 1.04 | Rhizoma arisaematis |
53 | 8.84 | 291.1222 | 273.1118; 259.0953; 243.0649; 219.0649 | C16H18O5 | 5-O-Methylvisamminol [31] | −3.26 | Saposhnikovia divaricata |
54 | 8.88 | 337.1239 | 321.0967; 320.0914; 292.0970 | C20H18NO4 | Berberine [17] | 1.72 | Rhizoma coptidis |
55 | 8.95 | 461.1071 | 285.0752; 270.0518 | C22H20O11 | Wogonoside [28] | 1.52 | Radix scutellariae |
56 | 8.96 | 574.2904 | 542.2746; 510.2484 | C31H43NO9 | 14-Benzoylhypacoine [13] | 4.88 | Radix aconiti kusnezoffii |
57 | 9.11 | 572.2804 | 554.2769; 540.2573; 522.2494 | C31H41NO9 | Dehydrated benzoylmesacoine [13] | −4.89 | Radix aconiti kusnezoffii |
58 | 9.11 | 572.3168 | 540.2573; 508.2308 | C32H45NO8 | 14-O-Anisoylneoline [13] | −4.89 | Radix aconiti kusnezoffii |
59 | 9.12 | 203.1268 | 185.1328; 175.0387; 157.1009 | C10H18O4 | Sebacic acid [24] | 4.92 | Rhizoma arisaematis |
60 | 9.13 | 271.0598 | 253.0493; 241.0493; 225.0544; 197.0956; 169.0646 | C15H10O5 | Baicalein [28] | 1.11 | Radix scutellariae |
61 | 9.35 | 323.1136 | 294.0876 | C19H16NO4 | Berberrubine [17] | 4.95 | Rhizoma coptidis |
62 | 9.37 | 588.3069 | 556.2897; 524.2624 | C32H45NO9 | 14-benzoyl-methoxy-hypaconine [13] | 3.40 | Radix aconiti kusnezoffii |
63 | 9.88 | 285.0753 | 270.0518; 267.0646; 257.0796 | C16H12O5 | 3′-Methoxyldaidzein [17] | 1.40 | Radix puerariae |
64 | 9.95 | 327.1222 | 221.0806; 107.0494 | C19H18O6 | Qinanone g (isomer) 2 [30] | 1.53 | Aquilaria agallocha |
65 | 9.97 | 283.0960 | 192.0414; 164.0468 | C17H14O4 | 6,8-Dihydroxyl-2-(2-phenethyl) chromone [30] | 1.41 | Aquilaria agallocha |
66 | 10.10 | 233.1534 | 215.1428; 187.1479; 159.1167; 145.1011; 131.0855 | C15H20O2 | Costunolide [30] | 0.86 | Radix aucklandiae |
67 | 10.25 | 616.3111 | 556.2897; 524.2632; 584.2874; 496.2664 | C33H45NO10 | Hypaconitine [13] | 0.81 | Radix aconiti kusnezoffii |
68 | 10.50 | 471.3462 | 407.3319; 121.1012 | C30H46O4 | 1-Carbonyl-β-boswellic acid [35] | 1.49 | Frankincense |
69 | 10.68 | 327.1222 | 221.0807; 107.0484 | C19H18O5 | Inanone g (isomer 1) [19] | 1.53 | Aquilaria agallocha |
70 | 10.69 | 267.1014 | 252.0428; 224.0479 | C17H14O3 | Dracorhodin [36] | 4.87 | Resina draconis |
71 | 10.72 | 403.1380 | 388.1140; 373.0912; 355.0816; 327.0856 | C21H22O8 | Nobiletin [32, 33] | 1.74 | Qingpi |
72 | 10.80 | 217.0493 | 202.0259; 189.0905; 174.0310; 161.0594; 146.0358 | C12H8O4 | Xanthotoxin [25] | 0.92 | Saposhnikovia divaricata |
73 | 10.90 | 189.0909 | 161.0958; 147.0440; 130.0776; 119.0492; 105.0337 | C12H12O2 | Z-Butylidenephthalide [19] | 0.53 | Angelica sinensis |
74 | 10.94 | 249.1484 | 231.1373; 213.1272; 203.9383; 189.1274; 163.0751; 135.0803 | C15H20O3 | Atractylenolide III [22] | 4.42 | Atractylodes macrocephala koidz |
75 | 11.00 | 267.1010 | 176.0467; 161.0969; 137.0229 | C17H14O3 | 7-Hydroxyl-2-(2-phenethyl) chromone [30] | 2.25 | Aquilaria agallocha |
76 | 11.00 | 323.2576 | 305.2469; 287.2367; 269.2253 | C20H34O3 | Incensole oxide [19] | 1.55 | Frankincense |
77 | 11.46 | 479.1162 | 317.1378; 299.6608 | C22H22O12 | Isorhamnetin-3-O-glucoside [24] | 4.59 | Clove |
78 | 11.52 | 285.0753 | 270.0518 | C16H12O5 | Wogonin [28] | 1.40 | Radix scutellariae |
79 | 11.77 | 352.1172 | 337.0939; 308.0923 | C20H17NO5 | 8-O-Berberine [17] | 1.99 | Rhizoma coptidis |
80 | 11.80 | 257.0804 | 239.0698; 229.2530 | C15H12O4 | Liquiritigenin [26] | 1.17 | Glycyrrhiza uralensis |
81 | 11.92 | 203.0709 | 174.0316; 145.0287 | C12H12O3 | 3-butenyl-7-hydroxyphthalide [19] | 2.46 | Angelica sinensis |
82 | 11.95 | 567.2014 | 549.1899; 531.1796; 283.0959; 267.1010; 255.1012; 239.1062 | C34H30O8 | AH13 [30] | −0.18 | Aquilaria agallocha |
83 | 12.43 | 355.1040 | 191.0337; 161.0598 | C16H18O9 | Chlorogenic acid [17] | −4.79 | Rhizoma coptidis |
84 | 12.63 | 194.1167 | 177.0898; 151.0627; 135.0439; 91.0544 | C11H15NO2 | Racsalsoline [29] | 4.64 | Radix linderae |
85 | 13.37 | 475.1534 | 371.0909; 341.0806 | C31H23O5 | Nordacorubin [37] | 1.26 | Resina draconis |
86 | 13.62 | 233.1537 | 215.1429; 187.1480; 151.0753 | C15H20O2 | Atractylodes lactone II [21] | −0.43 | Atractylodes macrocephala koidz |
87 | 13.85 | 189.0909 | 171.1165; 159.0801; 131.0854 | C12H12O2 | Butylidenephthalide [19] | 0.53 | Angelica sinensis |
88 | 13.89 | 195.0650 | 178.0774; 148.9767 | C10H10O4 | Ferulic acid [24] | 1.03 | Rhizoma arisaematis/clove |
89 | 13.95 | 225.1118 | 207.1014; 151.0392 | C12H16O4 | Chuanxionglide II [19] | 1.33 | Angelica sinensis |
90 | 13.97 | 217.1584 | 157.1010; 147.1165; 143.0854; 131.0853; 129.0699; 121.0648; 119.0856 | C15H20O | Atractylone [21] | 1.38 | Atractylodes macrocephala koidz |
91 | 13.98 | 231.1378 | 213.1271; 195.1166; 185.1323; 171.0797 | C15H18O2 | Atractylenolide I [21] | 0.43 | Atractylodes macrocephala koidz |
92 | 14.33 | 231.1378 | 213.1272; 185.1325; 157.1011; 143.0855; 129.0694 | C15H18O2 | Dehydrocostus lactone [30] | 0.43 | Radix aucklandiae |
93 | 14.33 | 231.1378 | 213.1272; 195.1168; 185.1325; 155.0932; 141.0698; 128.0622 | C15H18O2 | Linderenol [29] | 0.87 | Radix linderae |
94 | 14.57 | 279.1215 | 261.2212; 243.2105; 173.1323; 109.1014; 91.0547 | C15H18O5 | Aconitine A [29] | 4.3 | Radix linderae |
95 | 14.57 | 279.2315 | 261.2212 | C18H30O2 | γ-Linolenic acid [14] | 1.07 | Rhizoma drynariae |
96 | 14.72 | 301.0704 | 286.1941 | C16H12O6 | Baicalein II [28] | 1.00 | Radix scutellariae |
97 | 15.27 | 381.2045 | 335.2005; 191.1065 | C24H28O4 | Senkyunolide P [19] | 3.93 | Angelica sinensis |
98 | 15.44 | 191.1065 | 173.0960; 145.1011; 117.0700; 105.0701; 91.0546 | C12H14O2 | Z-Ligustilide [19] | 0.52 | Angelica sinensis |
99 | 15.45 | 381.2048 | 363.1941; 335.1997; 293.1533 | C24H28O5 | Eugelatinolide A [19] | 3.15 | Angelica sinensis |
100 | 15.82 | 261.1120 | 243.2104; 215.1794; 173.1325; 145.1012; 129.0702; 105.0703; 91.0545 | C15H16O4 | Isolinderalactone [29] | 0.38 | Radix linderae |
101 | 15.98 | 499.3768 | 121.0649 | C32H50O4 | Acetyl β-lactic acid [35] | 2.80 | Frankincense |
102 | 16.46 | 852.5253 | 572.2840; 540.2577; 512.2659; 354.1691 | C49H73NO11 | 8-Linoleic acid-benzoylmesaconine [13] | 0.35 | Radix aconiti kusnezoffii |
103 | 16.59 | 866.5411 | 586.2986; 526.2831; 494.2518 | C50H75NO11 | 8-Linoleic acid-benzoylaconine [13] | 0.23 | Radix aconiti kusnezoffii |
104 | 16.62 | 836.5302 | 556.2900; 524.2636 | C49H73NO10 | 8-linoleic acid-benzoylhepaconine [13] | 0.60 | Radix aconiti kusnezoffii |
105 | 16.88 | 828.5244 | 572.2844; 540.2590; 512.2673 | C47H73NO11 | 8-palmitic acid-benzoylmesaconine [13] | 1.45 | Radix aconiti kusnezoffii |
106 | 16.93 | 365.2678 | 347.2577; 305.2469; 287.2365; 269.2263 | C22H36O4 | Incensole oxide acetate [19] | 2.19 | Frankincense |
107 | 17.04 | 812.5305 | 556.2896; 524.2642; 496.2780 | C47H73NO10 | 8-palmitic acid-benzoylhepaconine [13] | 0.25 | Radix aconiti kusnezoffii |
108 | 17.2 | 513.3556 | 495.3528; 453.3362; 435.3258; 407.3304 | C32H48O5 | 3-Acetyl-11-ketone-β-mastic acids [19] | 3.51 | Frankincense |
109 | 17.24 | 135.0804 | 105.0701; 91.0546; 79.0548 | C9H10O | Cinnamic alcohol [10] | 0 | Cinnamomum cassia presl |
110 | 17.26 | 307.2625 | 289.2519; 271.2418; 215.1787; 201.1635 | C20H34O2 | Incensole [19] | 1.95 | Frankincense |
111 | 17.26 | 307.1172 | 289.2519; 221.1909; 205.1953; 177.1638 | C16H18O6 | Cimifugin [25] | 1.30 | Saposhnikovia divaricata |
112 | 18.10 | 581.1868 | 563.3374; 545.3251 | C27H32O14 | Naringin [32, 33] | −0.52 | Qingpi |
113 | 18.43 | 497.3615 | 437.3409; 409.3513; 391.3358 | C32H48O4 | 3α-acetyl-9,11Deoxidizing-β-boswellic acid [19] | 2.01 | Frankincense |
114 | 18.94 | 457.3673 | 421.3467; 407.2956 | C30H48O3 | β-Boswellic acid [35] | 0.66 | Frankincense |
115 | 20.76 | 273.2571 | 229.4793; 217.1954; 163.1483; 149.1324 | C20H32 | Cupressene [19] | 2.20 | Frankincense |
116 | 22.47 | 152.1064 | 133.9745; 116.9721 | C9H13NO | Norephedrine [16] | 3.94 | Ephedra |
117 | 22.65 | 152.1075 | 133.9798; 116.9721 | C9H14NO | Pseudodesmethylephedrine [16] | −3.29 | Ephedra |
|