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. 2016 Aug 8;6:31000. doi: 10.1038/srep31000

Table 1. The constituents detected in the whole extract of GZJSYT by LC-Q-TOF-MS.

No tR (min) Identification Molecular Formula Detected ions (m/z) Error (ppm) Source
1 1.15 Malic acid C4H6O5 133.0154 [M−H]− 8.7 GPJZC
2 1.25 Unknown — — — G
3 1.53 Unknown — — — PJ
4* 1.59 Citric acid C6H8O7 191.0208 [M−H]− 5.6 GPJZC
5 1.71 Desbenzoyl paeoniflorin C16H24O10 421.1344 [M + HCOO]− −1.8 P
6* 2.07 Succinic acid C6H4O6 — — GPJZC
7 2.15 Isomaltodebenzoyl paeoniflorin C22H34O15 583.1876 [M + HCOO]− −0.6 P
8* 3.26 Gallic acid C7H6O5 169.0157 [M−H]− 8.6 P
9 3.95 1-O-β-D-Gucopyranosyl paeonisuffrone C16H24O9 405.1404 [M + HCOO]− 0.4 P
10 4.16 Glucogallin C13H16O10 331.0669 [M−H]− −0.5 P
11 5.57 6-Galloylsucrose or 6′-Galloylsucrose or 1′-Galloylsucrose C19H26O15 493.1197 [M−H]− 0.4 P
12 7.18 6-O-β-D-glucopyranosyl lactinolide C16H26O9 407.1559 [M + HCOO]− 0 P
13 8.46 6′-O-Galloyldesbenzoyl paeoniflorin C23H28O14 527.1403 [M−H]− 0.6 P
14 8.73 (p-Hydroxybenzyl)malonic acid C10H10O5 209.0465 [M−H]− 4.6 G
15 9.67 Zizybeoside I or its isomer C19H28O11 477.1613 [M + HCOO]− −0.1 J
16 9.74 Unknown C16H26O8 391.1611 [M + HCOO]− 0.3 P
17 10.32 Zizybeoside I or its isomer C19H28O11 477.1603 [M + HCOO]− −2.2 J
18 10.32 Oxypaeoniflorin C23H28O12 541.1560 [M + HCOO]− −0.5 P
19 11.09 Zizybeoside II C25H38O16 639.2147 [M + HCOO]− 0.8 J
20 11.81 Unknown — — — P
21 11.85 6′-O-β-Glucopyranosyl albiflorin or its isomer C29H38O16 687.2152 [M + HCOO]− 1.5 P
22 12.51 Unknown C35H48O21 849.2685 [M + HCOO]− 1.8 P
23 12.69 6′-O-β -Glucopyranosyl albiflorin or its isomer C29H38O16 687.2152 [M + HCOO]− 1.5 P
24 12.95 Isomaltopaeoniflorin C29H38O16 687.2146 [M + HCOO]− 0.6 P
25 13.19 Albiflorin C23H28O11 525.1616 [M + HCOO]− 0.4 P
26 13.53 6′-O-β-Glucopyranosyl albiflorin or its isomer C29H38O16 687.2152 [M + HCOO]− 1.5 P
27* 14.21 Paeoniflorin C23H28O11 525.1619 [M + HCOO]− 1.0 P
28* 16.7 Liquiritigenin-7-O-β-D-apiofuranosyl-4′-O-β-D-glucopyranoside C26H30O13 549.1620 [M−H]− 1.2 G
29* 16.75 Liquiritin C21H22O9 419.1338 [M + H]+ 0.3 G
30* 17.06 Liquiritin apioside C26H30O13 549.1625 [M−H]− 2.1 G
31* 17.09 Liquiritigenin C15H12O4 257.0812 [M + H]+ 1.4 G
32 17.93 Galloylalbiflorin C30H32O15 631.1674 [M−H]− 0.9 P
33 18.13 Apigenin 6-C-β-xylopyranosyl-8-C-(6″′-O-(3-hydroxy-3-methylglutaroyl)-β-glucopyranoside) C32H36O18 707.1842 [M−H]− 1.9 G
34 18.28 Unknown — — — —
35 20.55 Albiflorin R1 C23H28O11 525.1608 [M + HCOO]− −1.1 P
36* 21.53 Glycyroside C27H30O13 607.1684 [M + HCOO]− 2.6 G
37* 22.17 Ononin C22H22O9 475.1254 [M + HCOO]− 1.7 G
38 23.54 Sacranoside A or its isomer C21H34O10 491.2143 [M + HCOO]− 1.8 P
39 24.53 Sacranoside A or its isomer C21H34O10 491.2143 [M + HCOO]− 1.8 P
40 26.25 Macedonoside A isomer C42H62O17 837.3939 [M−H]− 3.0 G
41 26.52 24-Hydroxy-licorice-saponin A3 C48H72O22 999.4474 [M−H]− 3.2 G
42 27.08 24-Hydroxy-licorice-saponin A3 isomer C48H72O22 999.4489 [M−H]− 4.7 G
43 27.47 22-Hydroxy-licorice-saponin G2 C48H72O21 853.3895 [M−H]− 3.2 G
44 27.99 Benzoylpaeoniflorin C30H32O12 629.1891 [M + HCOO]− 2.4 P
45* 28.4 Licorice saponin A3 C48H72O21 983.4535 [M−H]− 4.2 G
46 28.62 Albiflorin R3 C30H32O12 629.189 [M + HCOO]− 2.3 P
47 29.53 Yunganoside K1 or its isomer C48H72O21 983.4535 [M−H]− 3.2 G
48* 29.84 Macedonoside A C42H62O17 837.3951 [M−H]− 4.4 G
49 30.16 Uralsaponin R/S C48H74O20 969.4723 [M−H]− 2.3 G
50 30.60 Yunganoside K2 or its isomer C42H62O17 837.3950 [M−H]− 4.3 G
51 30.66 Uralsaponin P C42H64O16 823.4147 [M−H]− 3.1 G
52 31.4 Unknown C16H32O5 303.2181 [M−H]− 1.3 J
53* 31.99 Licorice saponin G2 C42H62O17 837.3950 [M−H]− 4.3 G
54 32.77 Yunganoside L1/J1 C48H72O20 967.4576 [M−H]− 3.3 G
55 32.96 Yunganoside K2 or its isomer C42H62O17 837.3954 [M−H]− 4.7 G
56 33.22 Yunganoside G1 C48H74O21 985.4688 [M−H]− 3.9 G
57 33.5 Yunganoside K2 or its isomer C42H62O17 837.3954 [M−H]− 4.5 G
58 33.79 Yunganoside G2 or its isomer C42H64O17 839.4105 [M−H]− 4.1 G
59* 34.03 Uralsaponin A C42H62O16 821.4012 [M−H]− 5.7 G
60 34.04 Unknown C30H44O3 453.3362 [M + H]+ 0.3 J
61 35.13 Yunganoside L1/J1 C48H72O20 967.4590 [M−H]− 4.7 G
62 35.37 Albiziasaponin B C48H74O20 969.4744 [M−H]− 4.5 G
63* 35.7 Licorice saponin H2 C42H62O16 821.4009 [M−H]− 5.3 G
64 35.7 Unknown C30H44O3 453.3364 [M + H]+ 0.2 J
65 36.27 Glycyrrhizic acid isomer C42H62O16 821.4009 [M−H]− 5.3 G
66 38.09 Licorice saponin C2 or its isomer C42H62O15 805.4056 [M−H]− 5.0 G
67 38.59 Actinopolysporin B C16H30O4 285.2077 [M−H]− — —
68 39.21 Unknown — — — C
69 39.48 Unknown — — — C
70 39.66 Unknown — — — —
71 39.82 Unknown — — — C
72 40.06 Unknown — — — P

tR: retention time; G: Glycyrrhizae radix et rhizoma preparata cum melle; P: Paeoniae radix alba; J: Jujubae fructus; C: Cinnamomi ramulus; Z: Zingiberis rhizoma recens.

*Compared with reference standards.