1*
|
0.85
|
[M-H]−
|
173.1035
|
173.1033
|
1.085
|
C6H14N4O2
|
Arginine
|
131.0825; 96.9672
|
SY,BX,ZS
|
2
|
0.88
|
[M + FA-H]−
|
195.0502
|
195.0499
|
1.491
|
C5H10O5
|
Arabinose
|
195.0561; 179.0589; 165.0432; 151.0635; 135.0313; 75.0090; 71.0117;
|
CH
|
3
|
0.89
|
[M + H]+
|
118.0865
|
118.0863
|
0.205
|
C5H11NO2
|
Betaine
|
58.0655
|
MH
|
4
|
0.90
|
[M-H]−
|
149.0080
|
149.0081
|
-0.084
|
C4H6O6
|
Tartaric acid
|
149.0092; 87.0087; 72.9927; 59.0134
|
Unknown
|
5
|
0.90
|
[M-H]−
|
157.0356
|
157.0356
|
-0.017
|
C4H6O3N4
|
Allantoin
|
59.03; 97.00; 71.03;
|
SY
|
6
|
0.90
|
[M-H]−
|
179.0552
|
179.0550
|
0.980
|
C6H12O6
|
Glucose
|
179.0570; 161.0461; 87.0092; 71.0137
|
ZS
|
7
|
0.91
|
[M + H]+
|
138.0549
|
138.0550
|
-0.085
|
C7H7NO2
|
Trigonelline
|
92.05; 78.03; 65.04; 51.02
|
SY,ZS
|
8*
|
0.92
|
[M-H]−
|
191.0553
|
191.0550
|
1.389
|
C7H12O6
|
Quinic acid
|
191.0563; 85.0297
|
ZS
|
9*
|
0.95
|
[M + H]+
|
144.1018
|
144.1019
|
-0.125
|
C7H13NO2
|
Stachydrine
|
144.1022; 84.0807; 56.0491
|
SY,ZS
|
10
|
0.96
|
[M-H]−
|
207.0141
|
207.0135
|
2.543
|
C6H8O8
|
Hydroxycitric acid
|
207.0082; 189.0049; 127.0012; 83.0146
|
ZS
|
11
|
0.98
|
[M-H]−
|
341.1091
|
341.1078
|
3.788
|
C12H22O11
|
Sucrose
|
179.0563; 161.0456; 119.0353; 89.0249
|
ZS
|
12
|
1.02
|
[M + FA-H]−
|
549.1677
|
549.1661
|
2.767
|
C18H32O16
|
Raffinose
|
503.1624; 221.0672; 179.0569
|
Unknown
|
13
|
1.05
|
[M-H]−
|
115.0023
|
115.0026
|
-2.479
|
C4H4O4
|
Maleic acid
|
71.0142
|
Unknown
|
14
|
1.05
|
[M-H]−
|
133.0129
|
133.0131
|
-0.230
|
C4H6O5
|
Malic acid
|
115.0054; 71.0150
|
SY
|
15
|
1.06
|
[M + NH4]+
|
136.0617
|
136.0604
|
1.276
|
C4H6O4
|
Succinic acid
|
136.0609; 92.0239; 72.9924; 65.0131
|
BX
|
16
|
1.13
|
[M + FA-H]−
|
711.2212
|
711.2190
|
3.130
|
C24H42O21
|
Maltotetraose isomer
|
665.2108; 485.1475; 443.1406; 383.1172; 341.1066
|
Unknown
|
17
|
1.14
|
[M + H]+
|
118.0864
|
118.0863
|
0.175
|
C5H11NO2
|
Valine
|
72.0805; 55.0539
|
SY,BX,ZS
|
18
|
1.27
|
[M + Na]+
|
851.2632
|
851.2639
|
-0.778
|
C30H52O26
|
Pentaose
|
851.2523; 527.1444
|
Unknown
|
19
|
1.28
|
[M-H]−
|
827.2685
|
827.2663
|
2.638
|
C30H52O26
|
Maltopentaose
|
647.2048; 503.1619; 341.1092; 323.1004; 179.0565; 161.0458;
|
ZX
|
20
|
1.31
|
[M + H]+
|
123.0554
|
123.0553
|
0.131
|
C6H6N2O
|
Nicotinamide
|
78.03; 63.01; 53.04
|
SY
|
21*
|
1.34
|
[M-H]−
|
191.0183
|
191.0186
|
1.052
|
C6H8O7
|
Citric acid
|
191.0203; 111.0100; 87.0097
|
SY
|
22
|
1.39
|
[M + H]+
|
127.0390
|
127.0390
|
0.049
|
C6H6O3
|
5-Hydroxymethylfurfural
|
127.0384; 109.0276; 81.0331; 68.9974
|
BX,SY,ZS
|
23
|
1.42
|
[M-H]−
|
1151.3737
|
1151.3720
|
1.481
|
C42H72O36
|
Fructo-oligosaccharide Dp7/Gf6
|
1151.3765; 1031.3220; 989.3192; 827.2672
|
Unknown
|
24
|
1.44
|
[M-H]−
|
827.2687
|
827.2663
|
2.868
|
C30H52O26
|
Fructo-oligosaccharide Dp5/Gf4
|
827.2575; 503.1631; 179.0569
|
Unknown
|
25
|
1.46
|
[M-H]−
|
989.3212
|
989.3191
|
2.122
|
C36H62O31
|
Maltohexaose,fructo-oligosaccharide Dp6/Gf5
|
989.3319; 827.2717; 665.2170; 503.1650; 341.1082
|
Unknown
|
26
|
1.48
|
[M + H]+
|
130.0499
|
130.0499
|
0.010
|
C5H7NO3
|
Pyroglutamic acid
|
84.0441; 56.0490
|
ZS
|
27
|
1.55
|
[M + FA-H]−
|
711.2216
|
711.2190
|
3.650
|
C24H42O21
|
Maltotetraose
|
665.2161; 545.1857; 341.1081; 179.0555; 89.0249
|
Unknown
|
28*
|
1.57
|
[M-H]−
|
243.0621
|
243.0612
|
3.692
|
C9H12N2O6
|
Uridine
|
128.0393; 110.0238
|
ZS
|
29*
|
1.58
|
[M + H]+
|
113.0348
|
113.0346
|
2.177
|
C4H4N2O2
|
Uracil
|
113.0369; 96.0086; 80.9743; 68.0126; 52.0186
|
CH
|
30
|
1.61
|
[M + FA-H]−
|
549.1677
|
549.1661
|
2.876
|
C18H32O16
|
Melezitose
|
503.1603; 323.0967; 179.0560; 89.0243
|
Unknown
|
31*
|
1.64
|
[M + H]+
|
182.0811
|
182.0812
|
-0.438
|
C9H11NO3
|
Tyrosine
|
134.06; 107.05; 91.05; 77.04; 65.04
|
SY,ZS
|
32*
|
1.72
|
[M-H]−
|
117.0197
|
117.0182
|
-2.266
|
C4H6O4
|
Succinic acid
|
73.0294; 55.0216
|
BX
|
33
|
1.79
|
[M + Na]+
|
289.1391
|
289.1410
|
-6.780
|
C15H22O4
|
4-Gingerol
|
177.1019; 163.0854; 145.0750; 133.0757
|
J
|
34
|
1.8
|
[M-H]-
|
115.0023
|
115.0026
|
-2.218
|
C4H4O4
|
Fumaric acid or its isomers
|
115.004; 99.9255; 83.9301; 53.0040
|
CH
|
35
|
1.85
|
[M + NH4]+
|
194.1175
|
194.1176
|
-0.079
|
C11H12O2
|
Ethyl cinnamate
|
115.0548;103.0547; 77.0395
|
GZ
|
36*
|
1.95
|
[M + H]+
|
132.1019
|
132.1019
|
-0.025
|
C6H13NO2
|
Leucine or Isoleucine
|
132.1016; 86.0961
|
BX,ZS
|
37
|
1.96
|
[M + H]+
|
152.1070
|
152.1070
|
-0.041
|
C9H13NO
|
N-Methyltyramine
|
103.0549; 91.0546; 77.0387
|
CP
|
38
|
2.06
|
[M + H]+
|
166.1225
|
166.1226
|
-0.111
|
C10H15NO
|
Hordenine
|
121.0671; 103.0556; 91.0552
|
MH,ZS
|
39*
|
2.08
|
[M + H]+
|
136.0616
|
136.0618
|
-0.142
|
C5H5N5
|
Adenine
|
136.0616; 119.0355; 92.0235
|
BX,ZS
|
40*
|
2.09
|
[M-H]−
|
169.0133
|
169.0131
|
0.948
|
C7H6O5
|
Gallic acid
|
169.0127; 151.0020; 125.0226; 97.0277; 81.0327; 69.0327
|
ZS
|
41*
|
2.29
|
[M + H]+
|
137.0457
|
137.0458
|
-0.067
|
C5H4N4O
|
6-Hydroxypurine
|
137.0442; 119.0353; 110.0335; 94.0384
|
BX,ZS
|
42*
|
2.29
|
[M + H]+
|
152.0565
|
152.0567
|
-0.196
|
C5H5N5O
|
Guanine
|
152.0670; 135.0294
|
BX,ZS
|
43*
|
2.30
|
[M-H]−
|
282.0846
|
282.0833
|
4.733
|
C10H13N5O5
|
Guanosine
|
282.0879; 150.0432; 133.0167; 108.0211
|
CP,GHX,BX,BZ,FL,ZS
|
44*
|
2.61
|
[M-H]−
|
266.0896
|
266.0884
|
4.696
|
C10H13N5O4
|
Adenosine
|
134.0485; 107.0382; 92.0256;
|
SY,BX,ZS
|
45*
|
2.91
|
[M + H]+
|
168.1018
|
168.1019
|
-0.507
|
C9H13NO2
|
Synephrine
|
168.10; 150.09; 135.07; 119.05; 91.05
|
ZS
|
46*
|
3.26
|
[M-H]−
|
283.0685
|
283.0673
|
4.237
|
C10H12N4O6
|
Xanthosine
|
283.0676; 151.0267; 108.0210
|
ZS
|
47*
|
3.79
|
[M + H]+
|
166.0861
|
166.0863
|
-0.165
|
C9H11NO2
|
L-Phenylalanine
|
120.0798; 103.0532; 91.0534; 79.0539; 77.0377;
|
BZ,FL,SY,ZS
|
48
|
3.81
|
[M + H]+
|
120.0809
|
120.0808
|
0.144
|
C8H9N
|
N-Benzylidenemethylamine
|
120.0804; 103.0524; 91.0534
|
BX,ZS
|
49
|
4.10
|
[M-H]−
|
305.0669
|
305.0656
|
4.428
|
C15H14O7
|
Leucocyanidin
|
305.0627; 179.0433; 167.0363
|
MH
|
50
|
4.33
|
[M-H]−
|
153.0182
|
153.0182
|
-0.065
|
C7 H6 O4
|
Protocatechuic acid
|
109.0290; 108.0220; 91.0192
|
ZW,GHX,GZ,ZS
|
51
|
4.70
|
[M-H]−
|
315.0725
|
315.0711
|
4.512
|
C13H16O9
|
Gentisic acid glycoside
|
315.0716; 152.0116; 108.0221
|
SY
|
52*
|
5.18
|
[M + H]+
|
152.1069
|
152.1070
|
-0.101
|
C9H13NO
|
Phenylpropanolamine
|
152.0574; 135.0303; 121.0632; 77.0377
|
MH
|
53*
|
6.15
|
[M + H]+
|
152.1069
|
152.1070
|
-0.131
|
C9H13NO
|
D-Demethyl pseudoephedrine
|
134.0962; 115.0555; 91.0487; 65.0371
|
MH
|
54
|
6.16
|
[M-H]−
|
331.1038
|
331.1024
|
4.233
|
C14H20O9
|
2,6-Dimethoxy-4-hydroxyphenol-1-O-β-D-glucopyranoside
|
168.0414; 153.0187; 123.0124
|
Unknown
|
55*
|
6.66
|
[M-H]−
|
167.0340
|
167.0339
|
0.687
|
C8H8O4
|
Vanillic acid
|
152.0116; 108.0183
|
SY
|
56*
|
7.30
|
[M + H]+
|
166.1225
|
166.1226
|
-0.171
|
C10H15NO
|
Ephedrine
|
166.1225; 148.1119; 133.0886; 117.0701; 91.0548
|
MH,BX
|
57
|
7.71
|
[M + FA-H]−
|
520.1673
|
520.1661
|
2.344
|
C20H29NO12
|
L-α-[(6-O-β-D-Glucopyranosyl-β-D-glucopyranosyl)oxy]benzeneacetamide
|
474.1613; 150.0584
|
XR
|
58*
|
7.75
|
[M-H]−
|
203.0819
|
203.0815
|
2.146
|
C11H12N2O2
|
Tryptophan
|
203.0784; 159.0957; 142.0656; 116.0516; 74.0254
|
ZS,BX
|
59*
|
7.77
|
[M-H]−
|
353.0880
|
353.0867
|
3.601
|
C16H18O9
|
Neochlorogenic acid
|
353.0857; 191.0563; 179.0350; 135.0454
|
KDH,ZS
|
60
|
7.99
|
[M-H]-
|
151.0390
|
151.0390
|
0.029
|
C8H8O3
|
Vanillin
|
109.3493; 125.0762; 65.0052
|
GZ
|
61
|
8.05
|
[M-H]-
|
181.0497
|
181.0495
|
1.131
|
C9H10O4
|
Syringaldehyde
|
135.9790; 117.0358
|
GZ
|
62*
|
8.33
|
[M + H]+
|
166.1225
|
166.1226
|
-0.141
|
C10H15NO
|
Pseudoephedrine
|
148.110; 133.08777; 117.0684; 91.0534
|
MH
|
63
|
8.49
|
[M + FA-H]−
|
520.1672
|
520.1661
|
2.228
|
C20H29NO12
|
D-α-[(6-O-β-D-Glucopyranosyl-β-D-glucopyranosyl)oxy]benzeneacetamide
|
474.1635; 313.1103; 150.0569
|
XR
|
64*
|
8.62
|
[M + H]+
|
180.1381
|
180.1383
|
-1.281
|
C11H17NO
|
Methylephedrine
|
180.1393; 1262.1267; 147.1042; 117.0702; 91.0537
|
MH
|
65
|
8.73
|
[M-H]-
|
285.0618
|
285.0605
|
4.582
|
C12H14O8
|
Uralenneoside
|
153.0183; 108.0215
|
GC
|
66
|
8.79
|
[M + H]+
|
447.1470
|
447.1497
|
-6.044
|
C19H26O12
|
Cinnacasolide A
|
317.0819;
|
GZ
|
67
|
8.92
|
[M-H]-
|
165.0546
|
165.0546
|
0.009
|
C9 H10 O3
|
Phloretic acid
|
119.0506; 93.0343
|
GC
|
68
|
9.22
|
[M-H]−
|
577.1357
|
577.1341
|
2.924
|
C30H26O12
|
Procyanidin B1
|
425.0916; 407.0778; 289.0707; 219.0668; 205.0510; 161.0254; 137.0277; 125.0255;
|
GZ
|
69
|
9.39
|
[M-H]−
|
475.1460
|
475.1446
|
2.910
|
C20H28O13
|
L-Amygdalinic acid
|
475.1452; 431.1560; 269.1028; 161.0453; 101.0250
|
XR
|
70
|
10.43
|
[M + H]+
|
272.1278
|
272.1281
|
-1.359
|
C16H17NO3
|
Higenamine
|
107.0512; 115.0564; 143.0519; 161.0626
|
XX
|
71
|
10.53
|
[M-H]−
|
121.0282
|
121.0284
|
-0.246
|
C7H6O2
|
4-Hydroxybenzaldehyde
|
121.0305; 92.0251
|
Unknown
|
72
|
10.65
|
[M-H]−
|
577.1358
|
577.1341
|
3.028
|
C30H26O12
|
Procyanidin B3
|
451.1160; 407.0712; 289.0719; 125.0252;
|
GZ
|
73*
|
10.86
|
[M-H]−
|
289.0719
|
289.0707
|
4.377
|
C15H14O6
|
Catechin
|
289.0702; 245.0818; 123.0440; 109.0297
|
MH
|
74
|
10.99
|
[M + H]+
|
217.0970
|
217.0972
|
-0.572
|
C12H12N2O2
|
Anoectochine
|
217.0973; 169.0758; 141.1135; 144.0827; 127.0560;
|
CH
|
75
|
11.08
|
[M-H]−
|
463.1462
|
463.1446
|
3.439
|
C19H28O13
|
Cinnacassoside C
|
293.1080; 233.0642; 149.0442; 139.0032;
|
GZ
|
76
|
11.60
|
[M-H]−
|
303.0512
|
303.0499
|
4.128
|
C15H12O7
|
(2R,3R)-3,5,7,2 ',6' -Pentahydroxyflavanone
|
303.0511; 217.0537; 177.0202; 149.0245; 125.0250
|
HQ
|
77
|
11.9
|
[M-H]−
|
299.0775
|
299.0761
|
4.468
|
C13H16O8
|
Salicylic acid 2-O-β-D-glucoside
|
299.0766; 137.0248; 93.0346
|
Unknown
|
78
|
11.95
|
[M-H]−
|
475.1459
|
475.1446
|
2.700
|
C20H28O13
|
D-Amygdalinic acid
|
475.1545; 431.1581; 151.0384; 101.0259
|
XR
|
79*
|
12.03
|
[M-H]−
|
179.0340
|
179.0339
|
0.865
|
C9H8O4
|
Caffeic acid
|
135.045
|
ZW,ZS
|
80
|
12.06
|
[M + H]+
|
137.1072
|
137.1073
|
-0.145
|
C8H12N2
|
Ligustrazine
|
137.1072; 122.0850; 96.0805; 80.0483; 69.0692; 55.0549
|
MH
|
81*
|
12.51
|
[M-H]−
|
353.0880
|
353.0867
|
3.516
|
C16H18O9
|
Chlorogenic acid
|
353.0883; 191.0549; 179.0337; 173.0442; 161.0228; 155.0335; 135.0435
|
CH,KDH,ZS
|
82
|
12.59
|
[M + FA-H]−
|
535.1671
|
535.1657
|
2.436
|
C21H30O13
|
Tectoruside
|
165.0578
|
SG
|
83
|
12.98
|
[M + FA-H]−
|
373.1142
|
373.1129
|
3.502
|
C15H20O8
|
Androsin
|
165.0574; 150.0343
|
SG
|
84
|
13.18
|
[M-H]−
|
367.1035
|
367.1024
|
3.082
|
C17H20O9
|
3-Feruloylquinic acid
|
134.0387; 193.0530; 117.0346; 191.0588
|
ZW,ZS
|
85
|
13.51
|
[M-H]−
|
577.1355
|
577.1341
|
2.508
|
C30H26O12
|
Procyanidin B2
|
451.1007; 425.0845; 407.0808; 289.0729; 161.0264; 125.0243;
|
GZ
|
86
|
13.62
|
[M + FA-H]−
|
293.1244
|
293.1231
|
4.421
|
C11H20O6
|
Pent-4-enyl-D-glucopyranoside
|
293.1216;
|
Unknown
|
87*
|
13.74
|
[M-H]−
|
353.0880
|
353.0867
|
3.516
|
C16H18O9
|
Cryptochlorogenic acid
|
353.0891; 191.0572; 179.0361; 173.0470; 135.0459
|
KDH,ZS
|
88
|
13.80
|
[M-H]-
|
443.1924
|
443.1912
|
2.655
|
C21H32O10
|
Dihydrophaseic acid 4'-O-β-glucopyranoside
|
443.1951; 119.0356; 89.0241; 59.0144
|
CH
|
89
|
13.82
|
[M + FA-H]−
|
493.2294
|
493.2280
|
2.873
|
C21H36O10
|
Atractyloside A
|
447.2232; 285.1700; 179.0549; 131.0359; 119.0362;
|
BZ
|
90*
|
13.93
|
[M + FA-H]−
|
502.1568
|
502.1555
|
2.616
|
C20H27NO11
|
Amygdalin
|
502.1567; 323.0972; 263.0772; 221.0661; 179.0550; ; 161.0444; 119.0335; 101.0229; 89.0229
|
XR
|
91
|
14.07
|
[M + FA-H]−
|
477.1616
|
477.1603
|
2.709
|
C19H28O11
|
Benzyl-β-gentiobioside
|
431.157269.103161.045101.0248
|
XR
|
92
|
14.16
|
[M-H]−
|
431.1559
|
431.1548
|
2.463
|
C19H28O11
|
Osmanthuside H or isomer
|
431.1150; 125.0234
|
Unknown
|
93*
|
14.22
|
[M-H]−
|
294.0985
|
294.0972
|
4.510
|
C14H17NO6
|
Prunasin
|
161.0435; 101.0242; 85.0305; 71.0141
|
XR
|
94
|
14.38
|
[M + H]+
|
193.0857
|
193.0859
|
-0.936
|
C11H12O3
|
Myristicin
|
133.0628; 147.0830
|
GZ,ZS
|
95
|
14.73
|
[M + H]+
|
179.0337
|
179.0339
|
-0.923
|
C9H6O4
|
4,7-Dihydroxycoumarin
|
179.03354; 163.03850; 145.02814
|
ZS
|
96*
|
15.04
|
[M-H]−
|
289.0720
|
289.0707
|
4.481
|
C15H14O6
|
Epicatechin
|
289.0723; 245.0813; 188.0482; 123.0453
|
MH
|
97
|
15.22
|
[M + H]+
|
179.0336
|
179.0339
|
-1.481
|
C9H6O4
|
6,7-Dihydroxycoumarin
|
179.03357; 163.03873; 145.02832
|
ZS
|
98*
|
15.29
|
[M-H]−
|
515.1197
|
515.1184
|
2.499
|
C25H24O12
|
1,3-O-Dicaffeoylquinic acid
|
515.1199; 353.0858; 335.0766; 191.0562
|
KDH
|
99
|
15.36
|
[M + H]+
|
303.0495
|
303.0499
|
-1.317
|
C15H10O7
|
Herbacetin or 3,5,7,2 ,6 -
pentahydroxyflavone
|
303.0483; 257.0466; 229.0492; 153.0187; 149.0241
|
MH,HQ
|
100
|
15.55
|
[M + H]+
|
251.1024
|
251.1026
|
-1.089
|
C12H14N2O4
|
Crotonine A
|
251.1026; 233.0930; 215.0838
|
BX
|
101
|
15.58
|
[M-H]-
|
163.0391
|
163.0390
|
0.139
|
C9H8O3
|
p-Coumaric acid
|
119.0518; 93.0347
|
XX,KDH
|
102
|
15.79
|
[M + FA-H]−
|
502.1570
|
502.1555
|
2.975
|
C20H27NO11
|
Amygdalin isomer
|
456.1532; 323.0988; 221.0670; 161.0460; 119.0357; 89.0249
|
XR
|
103
|
15.89
|
[M-H]-
|
295.1189
|
295.1176
|
4.355
|
C15H20O6
|
Rosin
|
161.0453; 133.0663; 113.0244; 101.0239
|
GZ
|
104
|
15.92
|
[M-H]−
|
161.0233
|
161.0233
|
0.009
|
C9H6O3
|
Umbelliferone
|
133.0308; 105.0341; 77.0393; 89.0406; 65.0037
|
ZW,ZS
|
105
|
16
|
[M-H]−
|
207.0293
|
207.0288
|
2.561
|
C10H8O5
|
Fraxetin
|
207.0323; 164.5855; 108.0218;
|
CH
|
106
|
16.02
|
[M + FA-H]−
|
711.2151
|
711.2190
|
-5.447
|
C24H42O21
|
Stachyose
|
665.2138; 485.1515; 341.1082; 179.0557
|
Unknown
|
107
|
16.2
|
[M-H]−
|
421.0779
|
421.0765
|
3.330
|
C19H18O11
|
Mangiferin
|
331.0461; 301.0361; 272.0338
|
SG
|
108
|
16.29
|
[M-H]−
|
327.1090
|
327.1074
|
3.932
|
C15H20O8
|
Dihydrocinnacasside
|
165.0569; 147.0449; 121.0668; 106.0451;
|
GZ
|
109
|
16.34
|
[M + H]+
|
625.1759
|
625.1763
|
-0.659
|
C28H32O16
|
Stellarin-2
|
625.1707; 607.1640; 589.1548; 487.1207
|
CP
|
110
|
16.38
|
[M + H]+
|
336.1803
|
336.1805
|
-0.653
|
C18H25NO5
|
Senecionine
|
308.1788; 138.0912; 120.0810; 94.0642
|
KDH
|
111
|
16.49
|
[M-H]−
|
367.1036
|
367.1024
|
3.491
|
C17H20O9
|
4-Feruloylquinic acid
|
193.0522; 191.0578; 173.0477; 134.0387; 93.0348
|
ZW,ZS
|
112
|
16.65
|
[M + H]+
|
566.2010
|
566.2012
|
-0.401
|
C25H32N5O8Cl
|
Astin L
|
566.2131; 423.1469
|
ZW
|
113
|
16.75
|
[M-H]−
|
367.1036
|
367.1024
|
3.491
|
C17H20O9
|
5-Feruloylquinic acid
|
191.0583; 173.0485; 134.0386; 93.0346;
|
ZW,ZS
|
114
|
16.75
|
[M-H]−
|
577.1357
|
577.1341
|
2.924
|
C30H26O12
|
Procyanidin B4
|
559.1291; 451.1081; 425.0895; 407.0738; 289.0696; 273.0424; 201.0526; 125.0234;
|
GZ
|
115
|
16.82
|
[M + H]+
|
193.0494
|
193.0495
|
-0.753
|
C10H8O4
|
Isoscopoletin
|
178.0294; 150.0337; 133.0304; 122.0383
|
ZW
|
116
|
17.03
|
[M-H]−
|
593.1517
|
593.1501
|
2.653
|
C27H30O15
|
Vicenin-Ii
|
593.1520; 503.1167; 473.1072; 383.0748; 353.0645
|
CP,GHX,ZS,GC,MH
|
117*
|
17.36
|
[M + H]+
|
195.0649
|
195.0652
|
-1.258
|
C10H10O4
|
Ferulic acid
|
177.0534; 145.0281; 117.0339; 89.0380
|
MH,ZS
|
118
|
17.36
|
[M + H]+
|
179.0336
|
179.0339
|
-1.593
|
C9H6O4
|
5,7-Dihydroxycoumarin
|
179.03358; 163.03880; 145.02818
|
ZS
|
119
|
17.5
|
[M + H]+
|
251.1387
|
251.1642
|
-1.398
|
C15H22O3
|
1β,11-Dihydroxy-β-cyperone
|
72.0801; 84.9591; 110.0605; 140.9194; 198.1117; 219.0469; 180.9492;
|
ZX
|
120
|
17.60
|
[M + H]+
|
625.1758
|
625.1763
|
-0.850
|
C28H32O16
|
4'-Methoxy-lucenin-2
|
625.1632; 607.1759; 589.1598; 487.1216
|
CP
|
121
|
17.66
|
[M-H]−
|
459.1149
|
459.1133
|
3.382
|
C19H24O13
|
Parishin E
|
307.0650; 208.0377; 164.0506; 151.0398; 101.0250;
|
BZ
|
122
|
17.69
|
[M + H]+
|
223.0600
|
223.0601
|
-0.672
|
C11H10O5
|
Saikochromone A or its isomers
|
223.0623; 207.0304; 190.0265; 179.0358; 162.0332; 134.0376; 105.0341; 78.0469
|
CH
|
123
|
17.73
|
[M + H]+
|
403.1360
|
403.1387
|
-6.832
|
C21H22O8
|
Hexamethoxyfalvone
|
403.1390; 388.1170; 373.014; 327.0863
|
CP
|
124
|
17.85
|
[M + H]+
|
366.1909
|
366.1911
|
-0.612
|
C19H27NO6
|
Senkirkine or its isomer
|
366.1893; 168.1009; 150.0904; 122.0960
|
KDH
|
125
|
17.86
|
[M-H]−
|
563.1410
|
563.1395
|
2.589
|
C26H28O14
|
8/6-C-Hexosyl-6/8-C-pentasy1 apigenin
|
563.1415; 473.1092; 383.0765; 353.0667; 297.0743
|
MH
|
126
|
17.99
|
[M-H]−
|
435.0934
|
435.0922
|
2.878
|
C20 H20 O11
|
7-O-Methylmangiferin
|
315.0524; 287.0221; 272.0342
|
SG
|
127*
|
18.01
|
[M-H]−
|
417.1195
|
417.1180
|
3.527
|
C21H22O9
|
Neoliquiritin
|
417.1194; 255.0803; 135.0095; 119.0497
|
GC
|
128
|
18.15
|
[M-H]−
|
581.2243
|
581.2229
|
2.465
|
C28H38O13
|
(+)-Lyoniresinol 9'-O-glucoside
|
419.1663; 404.1436; 343.1301; 233.0878; 202.0693; 153.0562; 119.0358;
|
GZ
|
129*
|
18.23
|
[M-H]−
|
137.0232
|
137.0233
|
-0.111
|
C7H6O3
|
3,4-Dihydroxybenzaldehyde
|
137.0242;
|
ZS
|
130
|
18.24
|
[M-H]−
|
295.0459
|
295.0448
|
3.580
|
C13H12O8
|
Coumaroyltartaric acid
|
173.0106; 154.9996; 111.0097
|
XR
|
131*
|
18.30
|
[M-H]−
|
447.0935
|
447.0922
|
3.024
|
C21H20O11
|
Luteolin-7-O-β-D-glucoside
|
447.0961; 357.0596; 327.0481; 285.0434; 133.0314
|
CP
|
132
|
18.40
|
[M-H]−
|
563.1409
|
563.1395
|
2.376
|
C26H28O14
|
Schaftoside
|
563.1418; 503.1114; 383.0764; 353.0676
|
GC
|
133
|
18.51
|
[M-H]−
|
415.1613
|
415.1599
|
3.316
|
C19H28O10
|
Icariside Dc
|
397.2059; 233.0752; 191.0534; 161.0462; 149.0445; 119.0333; 99.0075; 89.0250;
|
GZ
|
134
|
18.51
|
[M-H]−
|
549.1617
|
549.1603
|
2.682
|
C26H30O13
|
Naringenin 7-O-(2-β-D-Apiofuranosyl)-β-D-glucopyranoside
|
549.1621; 429.1106; 255.0660; 135.0100
|
GC
|
135*
|
18.59
|
[M-H]−
|
417.1195
|
417.1180
|
3.527
|
C21H22O9
|
Liquiritin
|
417.1195; 255.0654; 153.0178; 135.0071; 119.0484
|
GC
|
136
|
18.71
|
[M + H]+
|
366.1907
|
366.1911
|
-1.131
|
C19H27NO6
|
Senkirkine or its isomer
|
366.1892; 168.1018; 150.0912; 122.0595
|
KDH
|
137
|
18.82
|
[M-H]−
|
595.1673
|
595.1657
|
2.610
|
C27H32O15
|
Neoeriocitrin
|
595.1671; 459.1117; 287.0561; 151.0031; 135.0442
|
CP,ZS
|
138
|
18.85
|
[M + H]+
|
550.2059
|
550.2063
|
-0.786
|
C25H32N5O7Cl
|
Astin H or astin E
|
550.2035; 131.0473
|
ZW
|
139
|
18.86
|
[M-H]−
|
741.2260
|
741.2237
|
3.096
|
C33H42O19
|
Naringenin-7-O-triglycoside
|
741.2304; 621.1685; 339.0750; 271.0611; 151.0034
|
ZS
|
140
|
18.94
|
[2M-H]-
|
279.0146
|
279.0135
|
3.750
|
C6H4O4
|
Coumaric acid
|
132.0226; 104.0295; 95.9508
|
GZ
|
141
|
18.96
|
[M-H]−
|
549.1617
|
549.1603
|
2.573
|
C26H30O13
|
Liquiritin apiroside
|
549.1631; 255.0669; 135.0093
|
GC
|
142*
|
18.98
|
[M-H]−
|
431.0985
|
431.0973
|
2.799
|
C21H20O10
|
Vitexin
|
431.0943; 283.0475; 249.0606; 181.0308; 102.9854
|
MH
|
143*
|
19.24
|
[M-H]−
|
515.1196
|
515.1184
|
2.383
|
C25H24O12
|
Isochlorogenic acid B
|
515.1236; 353.0895; 191.0568; 179.0356; 173.0463
|
KDH,CH
|
144
|
19.28
|
[M-H]−
|
595.1673
|
595.1657
|
2.610
|
C27H32O15
|
Eriocitrin
|
595.1664; 459.1188; 287.0550
|
ZS
|
145
|
19.34
|
[M-H]−
|
547.1461
|
547.1446
|
2.637
|
C26H28O13
|
Chrysin 6-C-Pen-8-C-Hex
|
547.1464; 457.1224; 427.1015; 367.0862; 337.0725;
|
HQ
|
146
|
19.36
|
[M-H]−
|
463.1252
|
463.1235
|
3.654
|
C22H24O11
|
Hesperetin-O-glucoside
|
463.1165; 337.0927; 160.0184; 125.0244; 83.0141
|
ZS
|
147
|
19.44
|
[M-H]−
|
563.1409
|
563.1395
|
2.483
|
C26H28O14
|
Isoschaftoside
|
563.1441; 44.1003; 353.0681; 297.0770
|
GC
|
148
|
19.51
|
[M-H]−
|
547.1459
|
547.1446
|
2.418
|
C26H28O13
|
Chrysin-6-C-α -L-Arabinoside-8-C-β-D-glucoside
|
547.1482; 457.1150; 427.0981; 367.0823; 337.0723;
|
HQ
|
149
|
19.52
|
[M + H]+
|
502.2657
|
502.2660
|
-0.697
|
C25H35N5O6
|
Astin G
|
502.2646; 270.1459; 155.1205
|
ZW
|
150
|
19.6
|
[M + H]+
|
301.0700
|
301.0707
|
-2.075
|
C16H12O6
|
Pratensein
|
285.0422; 151.0406; 134.0374; 153.0194
|
GC
|
151
|
19.6
|
[M + H]+
|
301.0704
|
301.0707
|
-2.075
|
C16H12O6
|
Rhamnocitrin
|
231.0673; 167.0357
|
GC
|
152
|
19.60
|
[M + H]+
|
463.1228
|
463.1235
|
-1.485
|
C22H22O11
|
Diosmetin-7-O-glucoside
|
463.0650; 301.0707; 286.0472
|
CP,GHX,ZS
|
153*
|
19.61
|
[M-H]−
|
461.1093
|
461.1078
|
3.128
|
C22H22O11
|
Tectoridin
|
461.1084; 299.0548; 283.0215; 255.0275
|
SG
|
154
|
19.67
|
[M-H]−
|
147.0440
|
147.0441
|
-0.046
|
C9H8O2
|
2-Hydroxycinnamaldehyde
|
119.0516
|
GZ,ZS
|
155*
|
19.69
|
[M + H]+
|
433.1122
|
433.1129
|
-1.577
|
C21H20O10
|
Isovitexin
|
397.0962; 313.0708; 283.0573
|
MH
|
156*
|
19.70
|
[M + H]+
|
465.1026
|
465.1028
|
-0.328
|
C21H20O12
|
Hyperin
|
465.1013; 303.0503; 169.0127
|
KDH
|
157
|
19.73
|
[M-H]−
|
771.2359
|
771.2342
|
2.178
|
C34H44O20
|
Alpha-glucosyl hesperidin
|
771.2362; 301.0737
|
ZS
|
158*
|
19.74
|
[M-H]−
|
515.1193
|
515.1184
|
1.781
|
C25H24O12
|
Isochlorogenic acid A
|
353.0903; 191.0578; 135.0462
|
KDH,CH,ZS
|
159
|
19.75
|
[M + H]+
|
449.1077
|
449.1078
|
-0.307
|
C21H20O11
|
Kaempferol-3-O-glucoside
|
449.1073; 287.0536
|
KDH
|
160
|
19.77
|
[M + H]+
|
463.1229
|
463.1235
|
-1.356
|
C22H22O11
|
Tectorigenin 4'-glucoside
|
301.0773; 286.0538
|
SG
|
161
|
19.84
|
[M-H]-
|
341.1243
|
341.1231
|
3.623
|
C16 H22 O8
|
Coniferin
|
179.0587
|
SG
|
162
|
19.98
|
[M-H]−
|
577.1567
|
577.1552
|
2.700
|
C27H30O14
|
Isoviolanthin
|
577.1571; 413.0846; 293.0453
|
GC,MH
|
163*
|
19.99
|
[M-H]−
|
461.0728
|
461.0715
|
2.880
|
C21H18O12
|
Scutellarin
|
461.0726; 285.0405
|
HQ
|
164*
|
20.00
|
[M + H]+
|
303.0494
|
303.0499
|
-1.911
|
C15H10O7
|
Quercetin
|
303.0488; 229.0475; 153.0172
|
ZW,ZS
|
165*
|
20.00
|
[M + H]+
|
465.1023
|
465.1028
|
-1.059
|
C21H20O12
|
Isoquercitrin
|
465.1026; 303.0481; 289.0684
|
KDH,GHX
|
166
|
20.01
|
[M-H]−
|
609.1466
|
609.1450
|
2.625
|
C27H30O16
|
Rutin
|
609.1458; 301.0358; 271.0270; 255.0320
|
CP,GHX,CH,KDH
|
167
|
20.02
|
[M + H]+
|
611.1598
|
611.1607
|
-1.425
|
C27H30O16
|
Lucenin-2
|
557.1270; 353.0646; 473.0902
|
CP
|
168*
|
20.05
|
[M-H]−
|
623.1984
|
623.1970
|
2.107
|
C29H36O15
|
Verbascoside
|
623.2017; 461.1658; 179.0353; 161.0240; 135.0455
|
HQ,ZS
|
169
|
20.06
|
[M + H]+
|
493.1336
|
493.1341
|
-0.958
|
C23H24O12
|
Iristectorin B
|
343.0798; 331.0802; 316.0558; 301.0328
|
SG
|
170
|
20.09
|
[M-H]−
|
433.1140
|
433.1129
|
2.090
|
C21H22O10
|
Chalconaringenin 4-O-glucoside
|
271.0599; 177.0182; 151.0023; 119.0492
|
GC
|
171*
|
20.20
|
[M + H]+
|
229.0856
|
229.0859
|
-1.269
|
C14H12O3
|
Resveratrol
|
152.061; 107.0472; 91.0527
|
Unknown
|
172
|
20.21
|
[M-H]-
|
597.1828
|
597.1814
|
2.350
|
C27H34O15
|
Phloretin-3',5'-di-C-glucoside
|
387.1080; 357.0981
|
CP
|
173
|
20.27
|
[M + H]+
|
581.1857
|
581.1865
|
-1.397
|
C27H32O14
|
Isoliquiritigenin-4,4'-diglucoside
|
257.0854
|
GC
|
174
|
20.31
|
[M-H]−
|
579.1725
|
579.1708
|
2.700
|
C27H32O14
|
Narirutin
|
579.1727; 543.2543; 295.0694; 271.0613; 151.0020
|
ZS
|
175
|
20.43
|
[M + H]+
|
465.1025
|
465.1028
|
-0.521
|
C21H20O12
|
Quercetin-4-O-β-D-glucoside,Herbacetin-7-O-β-D-glucoside
|
465.0985; 303.0488
|
KDH,MH
|
176
|
20.57
|
[M-H]−
|
547.1459
|
547.1446
|
2.290
|
C26H28O13
|
Chrysin 6-C-Pen-8-C-Hex
|
547.1432
|
HQ
|
177
|
20.59
|
[M-H]−
|
505.0999
|
505.0977
|
-2.415
|
C23H22O13
|
Viscidulin Ii 2'-O-β-D-glucuronide
|
505.1091; 329.0665; 314.0423; 299.0170
|
HQ
|
178
|
20.66
|
[M + H]+
|
563.1754
|
563.1759
|
-0.883
|
C27H30O13
|
Glycyroside
|
269.0824; 254.0583
|
GC
|
179
|
20.69
|
[M-H]−
|
459.1298
|
459.1286
|
2.650
|
C23H24O10
|
6'-Acetyliquiritin
|
459.1308; 255.0659; 135.0088
|
GC
|
180*
|
20.70
|
[M-H]−
|
301.0718
|
301.0707
|
3.804
|
C16H14O6
|
Hesperetin
|
301.0682; 286.0490; 242.0603; 215.0487; 163.1426; 164.0160
|
ZS
|
181*
|
20.78
|
[M-H]−
|
577.1566
|
579.1708
|
2.388
|
C27H32O14
|
Naringin
|
579.1759; 459.1184; 313.0725; 271.0620; 151.0046
|
ZS
|
182*
|
20.82
|
[M-H]−
|
623.1985
|
623.1970
|
2.316
|
C29H36O15
|
Isoaceteoside
|
623.2040; 461.1658; 161.0247
|
GC
|
183
|
20.83
|
[M + H]+
|
249.1483
|
249.1485
|
-0.887
|
C15H20O3
|
4-Shogaol
|
137.0617; 122.0376; 94.0426
|
J
|
184
|
20.88
|
[M-H]−
|
581.1885
|
581.1865
|
3.541
|
C27H34O14
|
2 ,4 ,6 –Trihydroxydihydrochalcone-3 -C-β-D-glucoside-6 -O-β-D-glucoside
|
581.1880; 461.1468; 329。1056; 299.0928; 167.0358
|
HQ
|
185
|
20.88
|
[M-H]−
|
635.1622
|
635.1607
|
2.470
|
C29H32O16
|
Multiflorin A
|
591.1745; 255.0658; 135.0083
|
XR
|
186
|
20.92
|
[M-H]−
|
329.0669
|
329.0656
|
3.829
|
C17H14O7
|
Iristectorigenin A
|
314.0429; 299.0200; 282.0165; 255.0319; 243.0316; 271.0263; 227.0369; 215.0270; 199.0422; 187.0426; 171.0471; 161.9977; 134.0021;
|
SG
|
187
|
20.92
|
[M + H]+
|
493.1336
|
493.1341
|
-0.837
|
C23H24O12
|
Iristectorin A
|
331.0797; 316.0564; 301.0331
|
SG
|
188
|
21.17
|
[M-H]−
|
431.0985
|
431.0973
|
2.799
|
C21H20O10
|
kaempferol-3-rhamnoside
|
255.0230; 227.0374
|
MH
|
189*
|
21.19
|
[M-H]−
|
609.1828
|
609.1814
|
2.304
|
C28H34O15
|
Hesperidin
|
609.1875; 343.0831; 325.0718; 301.0728; 286.0496
|
CP,ZS
|
190
|
21.21
|
[M + H]+
|
361.0911
|
361.0918
|
-2.032
|
C18H16O8
|
Isoirigenin
|
361.0854; 301.0707
|
SG
|
191
|
21.21
|
[M + H]+
|
523.1442
|
523.1446
|
-0.740
|
C24H26O13
|
Iridin
|
361.0922; 346.0675; 301.0710
|
SG
|
192
|
21.22
|
[M-H]−
|
463.1250
|
463.1235
|
3.200
|
C22H24O11
|
Hesperetin-O-glucoside
|
301.0720; 286.0450; 240.0549; 164.0105
|
ZS
|
193
|
21.28
|
[M-H]−
|
547.1460
|
547.1446
|
2.527
|
C26H28O13
|
Chrysin 6-C-β -D-glucoside-
8-C-β -L-arabinoside
|
547.1465; 457.1157; 427.1046; 367.0822; 337.0714
|
HQ
|
194
|
21.38
|
[M-H]−
|
161.0233
|
161.0233
|
-0.071
|
C9H6O3
|
Folic acid
|
91.0554; 62.0163
|
ZW
|
195*
|
21.38
|
[M-H]−
|
515.1194
|
515.1184
|
1.898
|
C25H24O12
|
Isochlorogenic acid C
|
515.1216; 353.0884; 191.0556; 179.0345; 173.0453
|
KDH,ZS
|
196*
|
21.51
|
[M-H]−
|
447.0935
|
447.0922
|
3.024
|
C21H20O11
|
Astragalin
|
327.0475; 284.0347; 255.0292; 227.0349;
|
ZX,GZ,BZ
|
197
|
21.53
|
[M-H]−
|
693.2769
|
693.2753
|
2.255
|
C34H46O15
|
Nominin-17-β-D-glucoside
|
693.2793; 565.2748; 517.1518; 271.1715; 175.0416
|
ZS
|
198
|
21.58
|
[M + H]+
|
534.2108
|
534.2114
|
-1.036
|
C25H32N5O6Cl
|
Astin N
|
449.1598; 131.0482; 106.0643
|
ZW
|
199*
|
21.59
|
[M-H]−
|
609.1828
|
609.1814
|
2.304
|
C28H34O15
|
Neohesperidin
|
609.1797; 301.0726
|
ZS
|
200
|
21.63
|
[M-H]-
|
813.2103
|
813.2084
|
2.375
|
C35H42O22
|
Limocitrin-3-O-(5-α-glucosyl-HMG)-β-glucoside
|
651.1520; 345.0613
|
CP
|
201
|
21.65
|
[M + H]+
|
579.1702
|
579.1708
|
-1.039
|
C27H30O14
|
Violanthin
|
417.1044
|
GC
|
202
|
21.68
|
[M-H]−
|
547.1461
|
547.1446
|
2.637
|
C26H28O13
|
Chrysin 6-C-Hex-8-C-Pen
|
547.1501; 457.1147; 427.1042; 367.0826; 337.0715
|
HQ
|
203*
|
21.73
|
[M + H]+
|
133.0647
|
133.0648
|
-0.081
|
C9H8O
|
Cinnamaldehyde
|
115.0538; 105.0673; 86.1003
|
GZ
|
204
|
21.83
|
[M + H]+
|
845.2338
|
845.2346
|
-1.010
|
C36H44O23
|
limocitrol-3-O-( 5-α-glucosyl-HMG)-β-glucoside
|
377.0854; 362.0621
|
CP
|
205*
|
21.91
|
[M-H]−
|
255.0662
|
255.0652
|
3.939
|
C15H12O4
|
Liquiritigenin
|
255.0708; 135.0090; 119.0501; 91.0192
|
GC
|
206
|
21.95
|
[M-H]−
|
623.1623
|
623.1607
|
2.614
|
C28H32O16
|
Isorhamnetin-3-O-rutinoside
|
623.1634; 461.1724; 315.0476; 161.0253
|
CP
|
207
|
21.97
|
[M-H]−
|
549.1617
|
549.1603
|
2.682
|
C26H30O13
|
Isoliquiritin Apioside
|
549.1605; 255.0650; 135.0085
|
GC
|
208
|
22.01
|
[M-H]−
|
463.1253
|
463.1235
|
3.934
|
C22H24O11
|
Hesperetin-O-glucoside
|
463.1230; 301.0712; 257.0810; 164.0100
|
ZS
|
209
|
22.05
|
[M-H]−
|
201.0186
|
201.0182
|
1.964
|
C11H6O4
|
Xanthotoxol
|
201.0196; 145.0314
|
ZS
|
210*
|
22.07
|
[M-H]−
|
417.1191
|
417.1180
|
2.712
|
C21H22O9
|
Isoliquiritin
|
417.1149; 255.0695; 148.0159; 135.0080
|
GC
|
211
|
22.17
|
[M + H]+
|
609.1810
|
609.1814
|
-0.602
|
C28H32O15
|
Diosmin or neodiosmin
|
301.0697; 286.0462
|
CP
|
212*
|
22.26
|
[M + FA-H]−
|
475.1249
|
475.1235
|
2.867
|
C22H22O9
|
Ononin
|
267.252
|
GC,HQ
|
213
|
22.36
|
[M-H]−
|
475.0884
|
475.0871
|
2.752
|
C22H20O12
|
5,7,2'-Trihydroxy-6-methoxy flavone-7-O-glucuronide
|
475.0933; 299.0580; 284.0334
|
HQ
|
214
|
22.39
|
[M + H]+
|
532.2398
|
532.2402
|
-0.826
|
C25H33N5O8
|
Asterinin A
|
532.1802; 514.2322; 338.1704; 235.1084; 131.0480
|
ZW
|
215
|
22.48
|
[M-H]−
|
353.1033
|
353.1020
|
3.782
|
C20H18O6
|
Licoisoflavone A
|
353.1060; 227.0704; 125.0246; 83.0125
|
GC
|
216
|
22.49
|
[M-H]−
|
549.1616
|
549.1603
|
2.463
|
C26H30O13
|
Licuraside
|
549.1569; 255.0698; 135.0126
|
GC
|
217
|
22.57
|
[M-H]−
|
447.0935
|
447.0922
|
3.024
|
C21H20O11
|
Baicalein- 7-O-β-D-glucopyranoside
|
447.0950; 271.0612; 243.0664; 225.0559
|
HQ
|
218
|
22.57
|
[M-H]−
|
651.1574
|
651.1556
|
2.725
|
C29H32O17
|
3',3,5-Hydroxy-4',5'-methoxyflavone-O-glucoside-orhamnoside
|
651.1634; 589.1628; 549.1303; 507.1189
|
ZS
|
219
|
22.58
|
[M + H]+
|
347.0756
|
347.0761
|
-1.509
|
C17H14O8
|
Iristectorigenin B
|
331.0797; 316.0574; 273.0361
|
SG
|
220
|
22.76
|
[M + H]+
|
317.0652
|
317.0656
|
-1.227
|
C16H12O7
|
Irilin D
|
317.0668; 302.0418; 245.0475; 168.0044
|
SG
|
221
|
22.78
|
[M-H]−
|
621.1465
|
621.1450
|
2.356
|
C28H30O16
|
Wogonin-7-O-glu-glu acid
|
621.1494; 445.1134; 430.0930; 283.0600; 268.0349; 175.0243
|
HQ
|
222
|
22.87
|
[M + H]+
|
586.1820
|
586.1830
|
-1.655
|
C25H33N5O7Cl2
|
Astin B isomer
|
586.1751; 501.1269; 336.0499; 249.0186; 194.0147; 106.0662
|
ZW
|
223*
|
22.89
|
[M + H]+
|
287.0544
|
287.0550
|
-2.001
|
C15H10O6
|
Luteolin
|
287.0548; 153.0192; 135.0437
|
Unknown
|
224*
|
22.90
|
[M-H]−
|
445.0776
|
445.0765
|
2.274
|
C21H18O11
|
Baicalin
|
445.0786; 269.0466
|
HQ
|
225
|
22.98
|
[M-H]−
|
263.1289
|
263.1278
|
4.045
|
C15H20O4
|
(+)-Abscisic acid
|
219.1463; 204.1170; 153.0958; 122.0382; 109.0276;
|
BZ
|
226
|
23.05
|
[M-H]-
|
621.1829
|
621.1814
|
2.356
|
C29H34O15
|
Isocrenatoside or isomer
|
203.0362; 179.0374; 161.0265
|
GHX
|
227
|
23.07
|
[M-H]-
|
695.1989
|
695.1970
|
2.594
|
C35 H36 O15
|
Licorice-glycoside B/D1/D2
|
549.1584; 531.1510; 255.0680; 135.0104
|
GC
|
228
|
23.07
|
[M-H]-
|
725.2090
|
725.2076
|
1.887
|
C36 H38 O16
|
Licorice-glycoside A/C1/C2
|
549.1600; 531.1486; 255.0683
|
GC
|
229*
|
23.24
|
[M-H]−
|
147.0439
|
147.0441
|
-0.186
|
C9H8O2
|
Cinnamic acid
|
103.0553
|
GZ
|
230
|
23.47
|
[M + H]+
|
586.1826
|
586.1830
|
-0.615
|
C25H33N5O7Cl2
|
Astin B
|
586.1946; 409.9996; 338.0670; 251.0331; 106.0645
|
ZW
|
231
|
23.59
|
[M-H]−
|
591.1726
|
591.1708
|
3.008
|
C28H32O14
|
Liquiritigenin-4′-O-[β-D-3-O-acetyl-apiofuranosyl-(1–2)]-β-D-glucopyranoside
|
591.1762; 471.1338; 403.1041; 307.0604
|
GC
|
232
|
23.69
|
[M-H]-
|
711.2881
|
711.2859
|
3.133
|
C34H48O16
|
Nomilinic acid glucoside
|
651.2662; 607.2740
|
CP
|
233
|
23.70
|
[M-H]−
|
505.0994
|
505.0977
|
3.372
|
C23H22O13
|
Viscidulin Ii 2'-O-β-D-glucuronide isomer
|
505.1024; 329.0651; 314.0417; 299.0187
|
HQ
|
234
|
23.72
|
[M + H]+
|
534.2110
|
534.2114
|
-0.726
|
C25H32N5O6Cl
|
Astin D
|
534.2099; 449.1561; 302.0887; 215.0562
|
ZW
|
235
|
23.82
|
[M + H]+
|
179.0704
|
179.0703
|
-1.288
|
C10H10O3
|
2-Methoxycinnamic acid
|
118.0416; 90.0466; 77.0388
|
GZ
|
236
|
23.88
|
[M-H]−
|
445.0777
|
445.0765
|
2.746
|
C21H18O11
|
Norwogonin 7-O-β-D-glucuronide
|
445.0811; 269.0464
|
HQ
|
237*
|
23.92
|
[M-H]−
|
271.0613
|
271.0601
|
4.243
|
C15H12O5
|
Naringenin
|
151.001
|
ZS
|
238
|
23.92
|
[M-H]−
|
753.2254
|
753.2237
|
2.316
|
C34H42O19
|
Brutieridin
|
753.2278; 691.2259; 651.1942; 609.1844; 301.0733
|
ZS
|
239
|
24.05
|
[M + H]+
|
163.0752
|
163.0754
|
-0.206
|
C10H10O2
|
2-Methoxycinnamaldehyde
|
145.0659; 131.0496; 115.0553; 105.0697; 91.0533; 77.0383;
|
GZ
|
240*
|
24.07
|
[M + H]+
|
133.0647
|
133.0648
|
-0.051
|
C9H8O
|
Cinnamaldehyde isomer
|
133.0644; 115.0538
|
GZ
|
241
|
24.14
|
[M + H]+
|
570.1876
|
570.1881
|
-0.887
|
C25H33N5O6Cl2
|
Astin C
|
570.1876; 485.1351; 337.0863; 251.0333; 223.0388
|
ZW
|
242
|
24.14
|
[M + H]+
|
595.1696
|
595.1657
|
6.407
|
C27H30O15
|
Luteolin-7-O-rutinoside
|
449.1167; 287.0527
|
CP
|
243
|
24.28
|
[M + H]+
|
516.2448
|
516.2453
|
-0.900
|
C25H33N5O7
|
Astin J
|
498.2315; 338.1695; 235.1066; 218.0802; 193.0955; 151.0855; 131.0477
|
ZW
|
244
|
24.31
|
[M-H]−
|
429.0827
|
429.0816
|
2.510
|
C21H18O10
|
Chrysin7-O-β-D-glucuronide
|
429.0829; 253.0511; 175.0251; 113.0249
|
HQ
|
245
|
24.32
|
[M + H]+
|
255.0645
|
255.0652
|
-2.765
|
C15H10O4
|
Daidzein
|
137.0245
|
GC
|
246
|
24.32
|
[M + H]+
|
471.2010
|
471.2013
|
-0.752
|
C26H30O8
|
Limonin
|
471.2020; 453.1931; 425.1964; 367.1914; 213.0920; 161.0599
|
CP
|
247
|
24.34
|
[M-H]-
|
593.1877
|
593.1865
|
2.020
|
C28 H34 O14
|
Didymin
|
327.0881; 285.0785; 241.0887; 164.0130
|
CP,ZS
|
248
|
24.40
|
[M-H]−
|
473.0726
|
473.0715
|
2.363
|
C22H18O12
|
Cichoric acid
|
149.0123
|
Unknown
|
249
|
24.40
|
[M-H]−
|
475.0882
|
475.0871
|
2.374
|
C22H20O12
|
5,7,8-Trihydroxy-6-methoxy flavone-7-O-glucuronide
|
475.0954; 299.0567; 284.0322
|
HQ
|
250
|
24.40
|
[M-H]−
|
547.1456
|
547.1446
|
1.851
|
C26H28O13
|
Chrysin 6-C-β -D-glucoside-
8-C-α-L-arabinoside
|
547.1488; 457.1156; 427.1063; 367.0826; 337.0722
|
HQ
|
251
|
24.44
|
[M-H]−
|
445.1142
|
445.1129
|
2.936
|
C22H22O10
|
Wogonin-5-O-β-D -glucoside
|
445.1167; 430.0944; 283.0637; 267.0312; 239.0361
|
HQ
|
252
|
24.48
|
[M-H]−
|
461.1094
|
461.1078
|
3.410
|
C22H22O11
|
(2S)-5,7-Dihydroxy-6-methoxyflavanone7-O-β -D-glucuronide
|
461.1128; 285.0775; 270.0535; 165.9913; 113.0255
|
HQ
|
253*
|
24.50
|
[M-H]−
|
285.0768
|
285.0758
|
3.718
|
C16H14O5
|
Licochalcone B
|
285.0674; 270.0507; 177.0190; 150.0310; 121.0272
|
GC
|
254
|
24.5
|
[M-H]-
|
635.1627
|
635.1607
|
3.241
|
C29H36O16
|
Campneoside II or its isomer
|
635.1625
|
GHX
|
255
|
24.67
|
[M-H]−
|
459.0936
|
459.0922
|
3.076
|
C22H20O11
|
Oroxylin A 7-O-glucuronide
|
459.0970; 283.0621; 268.0387
|
HQ
|
256
|
24.7
|
[M + H]+
|
219.1013
|
219.1016
|
-1.099
|
C13H14O3
|
6-Acetyl-2,2-dimethylchroman-4-one
|
163.0376; 107.0491; 77.0388,
|
KDH
|
257
|
24.75
|
[M-H]-
|
299.0561
|
299.0550
|
3.697
|
C16H12O6
|
7,2',4'-Trihydroxy-5-methoxy-3-arylcoumarin
|
255.0323; 227.0373
|
GC
|
258*
|
24.77
|
[M-H]-
|
269.0820
|
269.0808
|
4.440
|
C16H14O4
|
Echinatin
|
237.0611; 183.0856; 161.0160; 133.0308; 120.0216; 92.0268
|
GC
|
259
|
24.77
|
[M + H]+
|
301.0718
|
301.0707
|
3.605
|
C16H12O6
|
Tectorigenin
|
301.0700; 286.0462; 168.0058
|
SG
|
260
|
24.77
|
[M-H]-
|
301.0718
|
301.0707
|
4.004
|
C16H14O6
|
Tetrahydroxymethoxychalcone
|
149.9976; 108.0216
|
GC
|
261
|
24.77
|
[M-H]−
|
445.0778
|
445.0765
|
2.881
|
C21H18O11
|
Norwogonin 8-O-β-D-glucuronide
|
445.0785; 269.0454
|
HQ
|
262
|
24.88
|
[M-H]−
|
475.0883
|
475.0871
|
2.500
|
C22H20O12
|
5,6,7-Trihydroxy-8-methoxyflavone-7-O-glucuronopyranoside
|
475.0899; 299.0555; 284.0318
|
HQ
|
263*
|
24.90
|
[M + FA-H]−
|
491.1196
|
491.1184
|
2.377
|
C22H22O10
|
Tilianin
|
491.2810; 283.0620; 268.0446
|
GHX
|
264
|
24.9
|
[M + FA-H]−
|
491.1196
|
491.1184
|
2.377
|
C22H22O10
|
Trifolirhizin
|
283.0626; 268.0397; 239.0368; 211.0431
|
GC
|
265
|
24.94
|
[M-H]-
|
857.2365
|
857.2346
|
2.212
|
C37H46O23
|
7,4-Dihydroxy-5,6,8,3-tetramethoxyflavonol-3-O-
( 5-α-glucosyl-HMG)-β-glucoside
|
593.1484; 551.1380; 389.0873
|
CP
|
266*
|
25.07
|
[M-H]−
|
459.0935
|
459.0922
|
2.815
|
C22H20O11
|
Wogonoside
|
459.1119; 283.0631; 268.0392
|
HQ
|
267
|
25.43
|
[M + Na]+
|
231.0624
|
231.0628
|
-1.472
|
C11H12O4
|
Ethyl Caffeate
|
153.0172; 77.0380
|
|
268*
|
25.44
|
[M + H]+
|
287.0545
|
287.0550
|
-1.729
|
C15H10O6
|
Kaempferol
|
287.0548; 231.0650; 153.0169
|
KDH
|
269
|
25.51
|
[M + H]+
|
331.0807
|
331.0812
|
-1.719
|
C17 H14 O7
|
Iristectorigenin A
|
316.0639; 301.0407; 273.0451; 245.0494
|
SG
|
270
|
25.56
|
[M-H]−
|
445.0779
|
445.0765
|
2.960
|
C21H18O11
|
Baicalein 6-O-β-D-glucuronide
|
445.0811; 269.0450
|
HQ
|
271
|
25.59
|
[M + H]+
|
221.1898
|
221.1900
|
-1.049
|
C15H24O
|
Alismol
|
105.0695; 91.0538; 79.0573; 67.0542; 119.0842
|
ZX
|
272
|
25.62
|
[M + H]+
|
361.0920
|
361.0918
|
-1.672
|
C18H16O8
|
Irigenin
|
361.0909; 331.0449; 232.0363; 169.0131
|
SG
|
273*
|
25.63
|
[M-H]−
|
359.0776
|
359.0761
|
-3.450
|
C18H16O8
|
Rosmarinic acid
|
359.0774; 197.0469; 179.0342; 161.0244; 135.0468; 123.0449
|
GHX
|
274*
|
25.73
|
[M-H]−
|
269.0456
|
269.0444
|
4.349
|
C15H10O5
|
Norwogonin
|
269.0458; 232.8405; 78.9598
|
HQ
|
275
|
25.88
|
[M-H]−
|
671.1628
|
671.1607
|
3.246
|
C32H32O16
|
6''-O-Vanilloyliridin
|
359.0766; 344.0538
|
SG
|
276
|
25.91
|
[M + H]+
|
711.2124
|
711.2131
|
-0.971
|
C32H38O18
|
monohydroxypentamethoxyflavonol-3-O-HMG-β-glucoside
|
405.1159; 390.0933; 375.0683
|
CP
|
277
|
25.93
|
[M + H]+
|
547.3603
|
547.3629
|
-4.824
|
C32H50O7
|
16-Oxo-alisol A-24-acetate
|
487.3420; 469.3346; 451.3214; 415.2827; 189.1615;
|
ZX
|
278
|
25.94
|
[M-H]−
|
547.1479
|
547.1446
|
-0.347
|
C26H28O13
|
Chrysin-6-C-Hex-8-C-Pen
|
547.1469; 457.1168; 427.1073; 367.0839; 337.0699
|
HQ
|
279
|
25.98
|
[M + FA-H]−
|
533.1302
|
533.1290
|
2.294
|
C24H24O11
|
Agastachoside
|
487.1302; 283.0624; 268.0393
|
GHX
|
280
|
26.00
|
[M-H]−
|
345.0617
|
345.0605
|
3.612
|
C17H14O8
|
Viscidulin Iii
|
345.0624; 330.0392; 315.0160; 287; 369
|
HQ
|
281
|
26.00
|
[M-H]−
|
489.1042
|
489.1028
|
2.939
|
C23H22O12
|
5,7-Dihydroxy-8,2'-dimethoxyflavone7-O-β -D-glucuronide
|
489.1039; 313.0726; 289.0496; 283.0255
|
HQ
|
282*
|
26.10
|
[M-H]−
|
255.0663
|
255.0652
|
4.370
|
C15H12O4
|
Isoliquiritigenin
|
255.0678; 119.0499; 91.0181
|
GC
|
283
|
26.18
|
[M + H]+
|
887.2806
|
887.2816
|
-1.109
|
C39H50O23
|
Natsudaidain-3-O-( 5-α-glucosyl-HMG)-β-glucoside
|
419.1345; 404.1107; 389.0862
|
CP
|
284
|
26.22
|
[M + H]+
|
728.3973
|
728.3978
|
-0.649
|
C36H53N7O9
|
Citrusin III
|
710.3892; 700.4052; 587.3164; 474.2331; 138.1269
|
CP
|
285*
|
26.79
|
[M-H]−
|
269.0458
|
269.0444
|
4.832
|
C15H10O5
|
Baicalein
|
269.0455; 241.04564; 223.0267
|
HQ
|
286
|
26.85
|
[M-H]−
|
243.1026
|
243.1016
|
4.110
|
C15H16O3
|
Batatasin Ⅲ/Ⅳ
|
243.1027; 137.0610; 122.0362; 116.9939; 78.9609
|
SY
|
287*
|
27.09
|
[M-H]−
|
267.0664
|
267.0652
|
4.586
|
C16H12O4
|
Formononetin
|
267.0683; 223.0434; 178.9931
|
GC
|
288
|
27.10
|
[M + H]+
|
373.1279
|
373.1282
|
-1.070
|
C20H20O7
|
Isosinensetin
|
373.1275; 357.0924; 343.0803
|
CP,ZS
|
289
|
27.14
|
[M-H]−
|
837.3927
|
837.3903
|
2.834
|
C42H62O17
|
Licorice saponin P2
|
837.4260; 351.0647; 193.0337
|
GC
|
290
|
27.14
|
[M + FA-H]−
|
843.4760
|
843.4737
|
2.712
|
C42H70O14
|
Hydroxysaikosaponin A
|
843.4743; 797.4672; 635.4126;
|
CH
|
291
|
27.14
|
[M + H]+
|
333.1692
|
333.1697
|
-1.292
|
C19H24O5
|
Marmin
|
333.16861; 315.15884
|
ZS
|
292
|
27.20
|
[M-H]−
|
723.2152
|
723.2131
|
2.848
|
C33H40O18
|
Melitidin
|
723.2244; 417.1237; 402.0992; 125.0249; 99.0462
|
ZS
|
293
|
27.21
|
[M + H]+
|
359.0756
|
359.0761
|
-1.459
|
C18H14O8
|
Dichtomitin
|
359.0761; 326.0421; 270.0524; 256.0364; 181.0130
|
SG
|
294
|
27.21
|
[M + H]+
|
419.1332
|
419.1337
|
-1.214
|
C21H22O9
|
Natsudaidain
|
419.1327; 389.0903
|
CP
|
295
|
27.44
|
[M + H]+
|
545.3465
|
545.3473
|
-1.431
|
C32H48O7
|
Alisol M 23-acetate
|
467.3163; 387.2516; 299.1983; 201.1624; 145.0996; 133.1008; 119.0860;
|
ZX
|
296
|
27.44
|
[M-H]-
|
895.3979
|
895.3958
|
2.328
|
C44H64O19
|
Uralsaponin F
|
351.0572
|
GC
|
297
|
27.52
|
[M + H]+
|
221.1898
|
221.1900
|
-1.003
|
C15H24O
|
10α-Hydroxy-1αH,5βH-guaia-3,6-diene
|
105.0695; 91.0538; 79.0573; 67.0542; 119.0842
|
ZX
|
298
|
27.53
|
[M-H]−
|
313.0720
|
313.0707
|
4.234
|
C17H14O6
|
3’,4’-Dihydroxy-7,5’-dime thoxyflavone
|
313.0734; 298.0487; 283.0261; 276.8391; 164.9813; 117.0391
|
ZS
|
299
|
27.53
|
[M + FA-H]−
|
521.3121
|
521.3109
|
2.370
|
C28H44O6
|
Polyporusterone B
|
475.3211; 313.0729;
|
FL
|
300*
|
27.68
|
[M + H]+
|
373.1277
|
373.1282
|
-1.312
|
C20H20O7
|
Sinensetin
|
373.1290; 358.1057; 357.0985; 343.0827
|
CP,ZS
|
301
|
27.70
|
[M + H]+
|
403.1381
|
403.1387
|
-1.622
|
C21H22O8
|
Hexamethoxyfalvone
|
403.1427; 387.1069; 373.0904; 355.0892; 327.0889
|
CP
|
302*
|
27.74
|
[M + H]+
|
387.1069
|
387.1074
|
-1.483
|
C20H18O8
|
Irisflorentin
|
387.1098; 372.0863; 357.0621; 326.0799
|
SG
|
303
|
27.76
|
[M-H]−
|
853.3872
|
853.3852
|
2.307
|
C42H62O18
|
22-Hydroxy-licorice saponin G2
|
853.3958; 351.0544
|
GC
|
304
|
28.04
|
[M + FA-H]-
|
523.3278
|
523.3265
|
2.437
|
C28H46O6
|
Polyporusterone A
|
477.3126; 433.1752; 343.1480;
|
FL
|
305
|
28.09
|
[M-H]−
|
373.0929
|
373.0918
|
2.965
|
C19H18O8
|
5,7-Hydroxy-3',4',5',6-tetramethoxyflavone
|
373.0934; 358.0701; 343.0468; 328.0224
|
ZS
|
306
|
28.12
|
[M + H]+
|
531.3649
|
531.3680
|
-5.920
|
C32H50O6
|
Alisol N 23-acetate
|
453.3347; 381.2838; 229.1489; 207.1747;
|
ZX
|
307
|
28.13
|
[2M-H]-
|
295.0976
|
295.0965
|
3.641
|
C9H8O2
|
E-cinnamic acid
|
295.0971
|
GZ
|
308
|
28.15
|
[M-H]−
|
487.1248
|
487.1235
|
2.735
|
C24H24O11
|
Agastachoside isomer
|
487.1285; 283.0613; 268.0373
|
GHX
|
309
|
28.23
|
[M-H]-
|
285.0769
|
285.0758
|
4.034
|
C16H14O5
|
Homobutein
|
123.0457; 117.0348; 108.0216
|
GC
|
310
|
28.27
|
[M-H]−
|
819.3818
|
819.3798
|
2.536
|
C42H60O16
|
Licorice saponin E2
|
819.3898; 351.0554
|
GC
|
311
|
28.36
|
[M + H]+
|
531.3653
|
531.3680
|
-5.111
|
C32H50O6
|
16β-Hydroxyalisol B 23-acetate
|
213.1665; 147.1158;
|
ZX
|
312*
|
28.53
|
[M + H]+
|
285.0751
|
285.0758
|
-2.385
|
C16H12O5
|
Oroxylin A
|
285.0764; 270.0526; 242.0578; 153.0187
|
HQ
|
313*
|
28.7
|
[M + Na]+
|
317.1718
|
317.1723
|
-1.326
|
C17H26O4
|
6-Gingerol
|
317.1711; 217.0801
|
SJ
|
314
|
28.75
|
[M-H]−
|
879.4030
|
879.4009
|
2.341
|
C44H64O18
|
22-Acetoxyl-glycyrrhizin
|
879.4120; 351.0628
|
GC
|
315
|
29.05
|
[M + H]+
|
704.3972
|
704.3978
|
-0.756
|
C34H53N7O9
|
Citrusin I
|
686.3947; 555.3062
|
CP
|
316
|
29.06
|
[M-H]−
|
343.0825
|
343.0812
|
3.675
|
C18H16O7
|
3',4',5'-Trimethoxyflavone
|
343.0837; 328.0560; 313.0422
|
ZS
|
317
|
29.06
|
[M-H]-
|
863.4076
|
863.4060
|
1.869
|
C44H64O17
|
22β-Acetoxyglycyrrhaldehyde
|
801.4087; 351.0576
|
GC
|
318
|
29.06
|
[M-H]−
|
983.4501
|
983.4482
|
1.927
|
C48H72O21
|
Licorice saponin A3
|
983.4489
|
GC
|
319
|
29.08
|
[M-H]-
|
879.4029
|
879.4009
|
2.273
|
C44H64O18
|
22β-Acetoxyl-glycyrrhizin or uralsaponin M
|
351.0578
|
GC
|
320*
|
29.30
|
[M + H]+
|
403.1382
|
403.1387
|
-1.474
|
C21H22O8
|
Nobiletin
|
403.1385; 388.1151; 373.0916; 355.0811; 327.0856
|
CP,ZS
|
321
|
29.38
|
[M + H]+
|
505.3517
|
505.3524
|
-1.416
|
C30H48O 6
|
16-Oxoalisol A
|
505.3501
|
ZX
|
322
|
29.42
|
[M + H]+
|
285.0752
|
285.0758
|
-1.929
|
C16H12O5
|
Batatasin I
|
285.0752; 270.0912; 254.0943; 253.0897; 225.0911
|
SY
|
323
|
29.42
|
[M + H]+
|
547.3623
|
547.3629
|
-1.152
|
C32H50O7
|
16-Oxo-alisol A-23-acetate
|
451.3238; 415.2820; 353.2465; 241.1619; 149.0962;
|
ZX
|
324
|
29.43
|
[M-H]−
|
837.3922
|
837.3903
|
2.177
|
C42H62O17
|
Yunganoside K2 or Macedonoside A
|
837.3912; 351.0547
|
GC
|
325*
|
29.53
|
[M + H]+
|
285.0750
|
285.0758
|
-2.806
|
C16H12O5
|
Acacetin
|
285.0768; 270.0506; 242.0565; 153.0191
|
GHX
|
326
|
29.53
|
[M-H]−
|
329.2335
|
329.2323
|
3.673
|
C18H34O5
|
Pinellic acid
|
329.2385; 229.1465; 211.1360
|
BZ,XR
|
327
|
29.57
|
[M + H]+
|
531.3654
|
531.3680
|
-4.885
|
C32H50O6
|
Alisol F 24-acetate
|
513.1300; 163.1156;
|
XX
|
328
|
29.65
|
[M + H]+
|
489.3570
|
489.3575
|
-0.860
|
C30H48O5
|
Alisol F or isomer
|
471.3458; 453.3369; 399.2886; 219.1701;
|
ZX
|
329
|
29.66
|
[M + FA-H]−
|
971.5229
|
971.5210
|
1.939
|
C48H78O17
|
Saikosaponin C
|
971.5364; 779.4565; 617.4470
|
CH
|
330
|
29.80
|
[M-H]−
|
329.2336
|
329.2323
|
4.220
|
C18H34O5
|
Pinellic acid isomer
|
293.2103; 229.1433; 171.1034; 139.1133; 127.1152;
|
BZ
|
331
|
29.81
|
[M + H]+
|
433.1488
|
433.1493
|
-1.105
|
C22H24O9
|
3,5,6,7,8',3',4'-Heptemthoxyflavone
|
433.1453; 418.1216; 417.1148; 403.1007; 385.0913
|
CP
|
332*
|
29.98
|
[M + H]+
|
231.1377
|
231.1380
|
-0.979
|
C15H18O2
|
Atractylenolide-Ⅰ
|
231.1381; 213.1315; 203.1104; 185.1321
|
BZ
|
333
|
30.18
|
[M + H]+
|
419.1333
|
419.1337
|
-0.927
|
C21H22O9
|
Gardenin A
|
419.1322; 404.1076; 389.0843; 371.0741; 165.0535
|
CP
|
334
|
30.19
|
[M-H]−
|
837.3925
|
837.3903
|
2.548
|
C42H62O17
|
Licorice saponin G2 isomer
|
837.3966; 351.0610
|
GC
|
335
|
30.38
|
[M + FA-H]−
|
973.5385
|
973.5367
|
1.842
|
C48H80O17
|
Saikosaponin F
|
973.5410; 927.5316; 781.4724; 619.4630
|
CH
|
336
|
30.45
|
[M + H]+
|
329.1016
|
329.1020
|
-1.139
|
C18H16O6
|
Monohydroxytrimethoxyflavone
|
329.1027; 314.0788; 296.0680; 268.0744; 240.0783
|
CP,GHX
|
337
|
30.55
|
[M + H]+
|
274.2736
|
274.2741
|
-1.699
|
C16H35NO2
|
Hexadecyl dihydrosphingosine
|
274.2739; 256.2890
|
BX
|
338*
|
30.76
|
[M + H]+
|
373.1284
|
373.1282
|
-1.580
|
C20H20O7
|
Tangeretin
|
373.1929; 358.1043; 343.0823
|
CP,ZS
|
339
|
30.89
|
[M + FA-H]−
|
531.3330
|
531.3316
|
2.484
|
C30H46O5
|
16-Oxo-11-anhydroalisol A
|
485.3298; 467.3206; 367.2676; 245.1579;
|
ZX
|
340
|
30.91
|
[M-H]−
|
329.2336
|
329.2323
|
3.947
|
C18H34O5
|
Pinellic acid isomer
|
229.1451; 211.1352; 183.1414; 171.1041; 118.9584; 99.0821;
|
BZ
|
341*
|
30.94
|
[M + Na]+
|
377.0991
|
377.0994
|
-1.165
|
C20H18O6
|
Asarinin
|
377.0990
|
XX
|
342
|
30.98
|
[M-H]−
|
837.3923
|
837.3903
|
2.321
|
C42H62O17
|
Licorice saponin Q2
|
837.3956; 351.0559; 193.0361
|
GC
|
343
|
31.02
|
[M-H]−
|
367.1188
|
367.1176
|
3.337
|
C21H20O6
|
Glycycoumarin
|
367.1208; 309.0429; 297.0428; 284.0338
|
GC
|
344
|
31.2
|
[M + FA-H]−
|
533.3488
|
533.3473
|
2.756
|
C30H48O5
|
Alisol F
|
487.3427; 353.2485; 203.1135
|
ZX
|
345
|
31.26
|
[M-H]−
|
353.1399
|
353.1384
|
4.275
|
C21H22O5
|
Gancaonin I
|
335.1210; 150.0335
|
GC
|
346
|
31.39
|
[M-H]−
|
353.1034
|
353.1020
|
4.121
|
C20H18O6
|
Licoisoflavone A
|
353.1027; 316.8315; 269.0407
|
GC
|
347
|
31.40
|
[M + H]+
|
403.1383
|
403.1387
|
-1.002
|
C21H22O8
|
Hexamethoxyfalvone
|
403.1393; 388.1228; 373.0928; 355.0789; 301.0740
|
CP
|
348
|
31.61
|
[M + FA-H]−
|
573.3438
|
573.3422
|
2.817
|
C32H48O6
|
Alisol C 23-acetate
|
527.3486; 509.3313; 449.3132;
|
ZX
|
349
|
31.62
|
[M + H]+
|
529.3519
|
529.3524
|
-0.936
|
C32H48O6
|
16-Oxo-11-anhydroalisol A 24-acetate
|
511.3391; 469.3290; 451.3203; 433.3083; ; 203.1442;
|
ZX
|
350
|
31.63
|
[M + H]+
|
487.3429
|
487.3418
|
2.317
|
C30H46O5
|
Alisol C
|
469.3331; 415.2848; 217.1583; 161.0951; 119.0853;
|
ZX
|
351
|
31.63
|
[M + FA-H]−
|
533.3484
|
533.3473
|
2.531
|
C30H48O5
|
13β,17β-epoxyalisol B
|
487.3427; 353.2485; 203.1135
|
ZX
|
352
|
31.63
|
[M-H]−
|
837.3925
|
837.3903
|
2.548
|
C42H62O17
|
Licorice saponin G2
|
837.4026; 351.0586; 193.0408
|
GC
|
353
|
31.65
|
[M-H]−
|
967.4555
|
967.4533
|
2.263
|
C48H72O20
|
Rhaoglycyrrhizin
|
967.4653; 497.1171
|
GC
|
354
|
31.85
|
[M + H]+
|
471.3463
|
471.3469
|
-1.287
|
C30H46O4
|
16,23-Oxido-alisol B
|
453.3332; 399.2878; 425.3410; 201.1686; 177.1286; 155.0876;
|
ZX
|
355*
|
31.86
|
[M-H]−
|
821.3973
|
821.3954
|
2.347
|
C42H62O16
|
Glycyrrhizic acid
|
821.3973; 645.3638; 469.3304; 351.0563; 193.0341; 175.0232
|
GC
|
356
|
31.86
|
[M-H]−
|
823.4034
|
823.4111
|
-9.330
|
C42H64O16
|
Uralsaponin C
|
823.4174; 351.0595
|
GC
|
357
|
31.89
|
[M + H]+
|
531.3658
|
531.3680
|
-4.208
|
C32H50O6
|
Alisol F 24-acetate isomer
|
495.3526; 453.3417; 276.9412; 217.1596; 173.1322; 145.1029; 121.1027;
|
ZX
|
358*
|
31.96
|
[M-H]−
|
337.1447
|
337.1434
|
3.780
|
C21H22O4
|
Licochalcone A
|
266.9918; 216.9262; 198.9192; 96.9702; 78.9587
|
GC
|
359
|
32.21
|
[M-H]−
|
351.0876
|
351.0863
|
3.718
|
C20H16O6
|
Licoisoflavone B
|
351.0878; 336.0748; 307.0944; 283.1001; 265.0873; 199.0753
|
GC
|
360*
|
32.26
|
[M + Na]+
|
345.2033
|
345.2034
|
-1.016
|
C19H30O4
|
8-Gingerol
|
345.2031
|
J
|
361*
|
32.30
|
[M -H]−
|
353.1032
|
353.1032
|
2.612
|
C20H18O6
|
Isolicoflavonol
|
353.1022
|
ZX
|
362
|
32.35
|
[M-H]−
|
985.4661
|
985.4639
|
2.207
|
C48H74O21
|
Yunganoside D1 or Yunganoside G1
|
985.4770; 497.1194
|
GC
|
363
|
32.36
|
[M + H]+
|
529.3497
|
529.3524
|
-5.092
|
C32H48O6
|
Alisol Q 23-acetate
|
451.3220;
|
ZX
|
364
|
32.39
|
[M-H]−
|
807.4185
|
807.4161
|
2.938
|
C42H64O15
|
Licoricesaponin B2
|
807.4230; 351.0564; 193.0349
|
GC
|
365
|
32.50
|
[M-H]−
|
837.3925
|
837.3903
|
2.619
|
C42H62O17
|
Uralsaponin N
|
837.3998; 351.0582; 193.0352
|
GC
|
366
|
32.66
|
[M-H]−
|
807.4184
|
807.4161
|
2.790
|
C42H64O15
|
22-Dehydroxyural saponin
|
807.4214; 351.0548; 193.0353
|
GC
|
367
|
32.80
|
[M-H]−
|
821.3976
|
821.3954
|
2.712
|
C42H62O16
|
Licorice saponin H2
|
821.4034; 351.0593; 193.0366
|
GC
|
368
|
32.81
|
[M + H-H2O]+
|
471.3464
|
471.3469
|
-1.096
|
C30H48O5
|
13Β,17Β-Epoxyalisol B
|
381.2803; 310.2266; 159.1183; 133.1009;
|
ZX
|
369
|
32.99
|
[M + FA-H]−
|
867.4747
|
867.4737
|
1.231
|
C44H70O14
|
3"-O-Acetylsaikosaponin A
|
867.4879; 821.4796; 779.4614; 761.4559; 617.4142
|
CH
|
370
|
33.12
|
[M + H]+
|
248.2005
|
248.2009
|
-1.575
|
C16H25NO
|
N-Isobutyl-dodecatetraenamide
|
267.1306; 152.1072; 107.0857; 96.0442; 79.0538
|
XX
|
371
|
33.16
|
[M + H]+
|
531.3665
|
531.3680
|
-2.815
|
C32H50O6
|
Alisol D
|
435.3309; 337.2465; 163.1096;
|
ZX
|
372*
|
33.30
|
[M-H]−
|
353.1032
|
353.1020
|
3.612
|
C20H18O6
|
Licoflavonol
|
353.1076; 297.0401; 214.8798; 151.0039
|
GC
|
373
|
33.41
|
[2M + H]+
|
437.3407
|
437.3414
|
-1.548
|
C15H22O
|
Nootkatone or its isomers
|
437.3442; 346.2790; 274.2756; 265.1953; 187.1491; 105.0699
|
CH
|
374
|
33.42
|
[M + FA-H]−
|
779.4589
|
779.4576
|
2.951
|
C42H68O13
|
Saikosaponin A
|
779.4589; 617.4060; 471.3493; 161.0446; 145.0495; 113.0495; 101.0229
|
CH
|
375
|
33.42
|
[M-H]−
|
865.4600
|
865.4580
|
2.251
|
C45H70O16
|
Malonysaikosaponin A
|
865.4662; 821.4754; 779.4688; 761.4580; 617.4110
|
CH
|
376
|
33.56
|
[M-H]−
|
821.3977
|
821.3954
|
2.798
|
C42H62O16
|
Licroice Saponin K2
|
821.4061; 351.0591; 193.0373
|
GC
|
377
|
33.60
|
[M + H]+
|
487.3433
|
487.3418
|
3.117
|
C30H46O5
|
(8α,9β,11β,14β,16β,23S,24R)-16,23:24,25-Diepoxy-11,20-dihydroxy-dammar-13(17)-en-3-one
|
469.3302; 451.3198; 397.2721; 353.2457; 253.1536; 201.1284;
|
ZX
|
378
|
33.60
|
[M + FA-H]−
|
867.4758
|
867.4737
|
2.499
|
C44H70O14
|
4"-O-Acetylsaikosaponin A
|
867.4834; 821.4784; 779.4683; 761.4489; 617.1039
|
CH
|
379
|
34.87
|
[M-H]−
|
865.4600
|
865.4580
|
2.320
|
C45H70O16
|
Malonysaikosaponin D
|
865.4725; 821.4783; 779.4590; 761.4546; 617.4083
|
CH
|
380
|
34.90
|
[M + H]+
|
529.3503
|
529.3524
|
-3.940
|
C32H48O6
|
Alisol C
|
511.3422; 451.3223; 397.2776; 355.2664; 205.1599; 187.1492; 145.1003;
|
ZX
|
381
|
34.93
|
[M + FA-H]−
|
825.4655
|
825.4631
|
2.935
|
C42H68O13
|
Saikosaponin G
|
825.4774; 779.4692; 617.4131
|
CH
|
382
|
34.94
|
[2M + H]+
|
437.3410
|
437.3414
|
-0.862
|
C15H22O
|
nootkatone or its isomers
|
437.3464; 201.1661; 163.1482
|
CH
|
383
|
35.05
|
[M + FA-H]−
|
867.4759
|
867.4737
|
2.568
|
C44H70O14
|
3"-O-Acetylsaikosaponin D
|
867.4855; 821.4813; 779.4686; 761.4565; 617.4124
|
CH
|
384
|
35.15
|
[M + FA-H]−
|
809.4707
|
809.4682
|
3.109
|
C42H68O12
|
Saikosaponin M
|
809.4758; 763.4699; 601.4136; 161.0452
|
CH
|
385
|
35.26
|
[M-H]−
|
823.4132
|
823.4111
|
2.609
|
C42H64O16
|
Licorice Saponin J2
|
823.4224; 351.0595; 193.0370
|
GC
|
386
|
35.26
|
[M + FA-H]−
|
867.4758
|
867.4737
|
2.430
|
C44H70O14
|
6"-O-Acetylsaikosaponin A
|
867.4855; 821.4813; 779.4686; 761.4565; 617.4124
|
CH
|
387
|
35.68
|
[M + H]+
|
219.1741
|
219.1743
|
-1.149
|
C15H22O
|
Isolongifolen-9-one
|
105.07; 91.05; 77.04; 65.04
|
ZX
|
388
|
35.81
|
[M + FA-H]−
|
825.4655
|
825.4631
|
2.935
|
C42H68O13
|
Saikosaponin B2
|
825.4748; 779.4655; 617.4090
|
CH
|
389
|
36.31
|
[M + H]+
|
219.1741
|
219.1743
|
-1.104
|
C15H22O
|
(Z)-Nuciferol
|
219.1728
|
ZX
|
390*
|
36.43
|
[M + Na]+
|
413.2296
|
413.2298
|
-0.715
|
C23H34O5
|
Tussilagone
|
413.2287
|
KDH
|
391*
|
37.18
|
[M + Na]+
|
373.2349
|
373.2348
|
-0.189
|
C21H34O4
|
10-Gingerol
|
373.2347; 217.0815
|
J
|
392
|
37.30
|
[M + FA-H]−
|
867.4761
|
867.4737
|
2.856
|
C44H70O14
|
2"-O-Acetylsaikosaponin D
|
867.4847; 821.4798; 779.4650; 761.4625; 617.4105
|
CH
|
393
|
37.55
|
[M + H]+
|
515.3728
|
515.3731
|
-0.584
|
C32H50O5
|
25-Anhydroalisol A 11-acetate
|
455.3519; 437.3452; 383.2955; 339.2678; 219.1736; 159.1173; 121.1009;
|
ZX
|
394
|
37.60
|
[M + FA-H]−
|
825.4655
|
825.4631
|
2.850
|
C42H68O13
|
Saikosaponin D
|
825.4671; 779.4666; 617.4109
|
CH
|
395
|
38.23
|
[M + H]+
|
513.3547
|
513.3575
|
-5.398
|
C32H48O5
|
Alisol O
|
453.3349; 435.3240; 399.2890; 177.1263; 163.1105;
|
ZX
|
396*
|
38.24
|
[M + FA-H]−
|
535.3643
|
535.3629
|
2.596
|
C30H50O5
|
Alisol A
|
475.3159; 415.0352; 329.1713; 299.0619; 269.1501; 167.0548
|
ZX
|
397
|
38.31
|
[M + H]+
|
529.3495
|
529.3524
|
-5.432
|
C32H48O6
|
Alismaketone-C 23-acetate
|
433.3067; 379.2671; 233.1568; 145.1009;
|
ZX
|
398
|
38.59
|
[M + FA-H]−
|
867.4762
|
867.4737
|
2.925
|
C44H70O14
|
4"-O-Acetylsaikosaponin D
|
867.4873; 821.4802; 779.4621; 761.4575; 617.4072
|
CH
|
399
|
38.70
|
[M + Na]+
|
555.3651
|
555.3656
|
-0.901
|
C32H52O6
|
Alisol A 24-acetate
|
555.3658
|
ZX
|
400
|
38.72
|
[M + H-H2O]+
|
515.3729
|
515.3731
|
-0.351
|
C32H52O6
|
Alisol A 23-acetate
|
497.3585; 437.3370; 383.2929; 365.2855; 339.2698;
|
ZX
|
401
|
38.78
|
[M + H]+
|
511.3391
|
511.3418
|
-5.380
|
C32H46O5
|
Alisol L 23-acetate
|
493.3340; 451.3210; 433.3113; 397.2771; 353.2435; 283.1980; 171.1182;
|
ZX
|
402*
|
39.29
|
[M + FA-H]−
|
559.3644
|
559.3629
|
2.592
|
C32H50O5
|
Alisol B-23-acetate
|
537.3542; 477.3315
|
ZX
|
403
|
39.30
|
[M + H]+
|
515.3727
|
515.3731
|
-0.817
|
C32H50O5
|
11-Deoxy-13β,17β-epoxyalisol B 23-acetate
|
383.2960; 339.2673; 341.2824; 203.1418; 121.1004;
|
ZX
|
404
|
39.37
|
[M + FA-H]−
|
517.3536
|
517.3524
|
2.463
|
C30H48O4
|
Alisol B
|
517.3535
|
ZX
|
405*
|
40.04
|
[M + H]+
|
529.3873
|
529.3886
|
-2.798
|
C33H52O5
|
Pachymic acid
|
493.36; 451.36; 433.35; 355.26; 295.24
|
SY
|