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. 2016 Mar 31;2016:9468087. doi: 10.1155/2016/9468087

Table 2.

MS data in (+/−) ESI modes and the identification results for the constituents in NXT.

Peak number RT (min) Identification Mode MS (m/z) Composition Herbal source
1 0.647 Arginine Pos/Neg 174.2024 C6H14N4O2 PT
2 0.702 Valine Pos 117.1478 C5H11NO2 PT
3 0.721 Proline Pos 115.1331 C5H9NO2 PT
4 0.776 Malic acid Neg 134.0911 C4H6O5 RA
5 1.053 Citric acid Neg 192.1286 C6H8O7 RA
6 1.201 D-5-oxoproline Neg 129.1174 C5H7NO3 RAS
7 1.201 L-5-oxoproline Neg 129.1174 C5H7NO3 RAS
8 1.275 Succinic acid Neg 118.0910 C4H6O4 RAS, RAB, PT
9 1.294 ρ-Coumaric acid Pos 164.1601 C9H8O3 RAS
10 1.310 o-Phthalic acid Pos 166.1294 C8H6O4 RAS
11 1.312 Adenosine Pos 267.2403 C10H13N5O4 RAS, PT, RCX
12 1.331 Leucine Pos 131.1688 C6H13NO2 PT
13 1.460 Isoleucine Pos 131.1688 C6H13NO2 RAB
14 1.589 Gallic acida Neg 170.1207 C7H6O5 RPR
15 2.199 Phenylalanine Pos 165.1874 C9H11NO2 FC
16 2.459 Danshensu Neg 198.1701 C9H10O5 RSM
17 2.606 Palmitic acid Neg 256.3380 C16H32O2 RAS, FC, RA, SCP
18 3.438 Senkyunolide B Neg 204.2374 C12H12O3 RCX
19 3.456 Senkyunolide C Neg 204.2374 C12H12O3 RCX
20 3.600 Protocatechuic aldehyde Neg 138.1185 C7H6O3 RSM, RC
21 3.974 Mulberroside Aa Neg 568.5277 C26H32O14 RM
22 4.122 Gallicin Neg 184.1453 C8H8O5 RPR
23 4.230 Hydroxysafflor yellow A Pos/Neg 612.5364 C27H32O16 FC
24 4.232 7-Hydroxycoumarin Pos 162.1457 C9H6O3 RM
25 4.565 Vanillic acid Neg 168.1459 C8H8O4 RCX, RPR
26 4.694 Benzoic acid Neg 122.1209 C7H6O2 RPR
27 4.935 Epicatechin Neg 290.2674 C15H14O6 CS
28 5.157 Catechin Neg 290.2674 C15H14O6 RPR
29 5.212 Albiflorin Pos 480.4653 C23H28O11 RPR
30 5.730 Quercetin-7-O-glucoside Neg 464.3754 C21H20O12 FC
31 5.952 Rutin Neg 610.5203 C27H30O16 RA
32 5.970 Calycosina Neg 284.2679 C16H12O5 RA
33 5.988 Calycosin-7-O-glucoside Pos 446.4075 C22H22O10 RA
34 5.989 Ferulic acida Neg 194.1815 C10H10O4 RA, RCX, RAS, RAB
35 6.321 Paeoniflorina Pos 480.466 C23H28O11 RPR
36 6.358 Pentagalloylglucosea Neg 940.68 C41H32O26 RPR
37 6.413 Kaempferol-3-O-rutinosidea Pos/Neg 594.5179 C27H30O15 FC
38 6.654 3,5-Di-O-caffeoylquinic acida Pos/Neg 516.4573 C25H24O12 CS
39 6.987 Dicaffeoylquinic acid Neg 516.1275 C25H24O12 RCX
40 7.042 Z-Butylidenephthalidea Neg 188.2259 C12H12O2 RCX
41 7.210 Salvianolic acid A Neg 494.4578 C26H22O10 RSM
42 7.449 4-Hydroxyl-3-butylphthalide Pos 206.2346 C12H14O3 RCX
43 7.540 Salvianolic acid B Neg 718.6220 C36H30O16 RSM
44 7.688 Ononin Pos 430.4107 C22H22O9 CS
45 7.763 Senkyunolide F Pos 206.1017 C12H14O3 RCX, RAS
46 7.855 Salvianolic acid E Neg 718.1512 C36H30O16 RSM
47 8.243 Biochanin A Pos/Neg 284.2689 C16H12O5 CS
48 8.262 (6aR,11aR)-3-Hydroxy-9,10-dimethoxy pterocarpan Pos 300.3107 C17H16O5 RA
49 8.594 N1-N5-(Z)-N10-(E)-tri-p-coumaroylspermidine Pos 583.2703 C34H37N3O6 FC
50 8.740 Benzoylpaeoniflorin Pos 584.5723 C30H32O12 RPR
51 9.518 Pratensein Neg 300.0679 C16H12O6 RA
52 9.611 Hydroxyl calendic acid Neg 294.4342 C18H30O3 SP
53 9.648 Trans-oxyresveratrol Pos 244.2435 C14H12O4 RM
54 10.240 Formononetina Pos/Neg 268.2580 C16H12O4 RA
55 10.405 Astragaloside IV Neg 784.4633 C41H68O14 RA
56 10.590 Senkyunolide H Neg 220.2305 C12H12O4 RCX
57 10.978 Astragaloside II Neg 826.4701 C43H70O15 RA
58 11.311 Soyasaponin I Neg 942.5145 C48H78O18 RA
59 11.422 Methyl tanshinonate Pos 338.1087 C20H18O5 RSM
60 11.588 Carnosic acid Neg 332.4311 C20H28O4 RSM
61 11.644 Kaempferol-3-O-glucoside Neg 448.3752 C21H20O11 FC
62 11.699 Hydroxytanshinone IIA Pos 310.1199 C19H18O4 RSM
63 11.792 3-Butylidene-7-hydroxyphalide Neg 204.2331 C12H12O3 RCX
64 11.921 Tanshinone II-B Pos 310.1187 C19H18O4 RSM
65 12.198 Senkyunolide A Pos 192.2516 C12H16O2 RCX
66 12.975 Salvianolic acid F Neg 314.0735 C17H14O6 RSM
67 13.196 Kumatakenin Neg 314.3359 C17H14O6 RA
68 13.233 3-n-Butylphthalide Pos 190.2356 C12H14O2 RCX
69 13.474 (Z)-ligustilidea Pos 190.2109 C12H14O2 RAS
70 13.483 (E)-ligustilidea Pos 190.2109 C12H14O2 RAS
71 13.917 Trijuganone B Pos 280.1107 C18H16O3 RSM
72 16.098 Cryptotanshinonea Neg 296.3642 C19H20O3 RSM
73 16.394 Senkyunolide M Pos 278.1565 C16H22O4 RCX
74 17.503 O-Phthalic anhydride Pos 148.0207 C8H4O3 FC
75 17.614 Chlorogenic acida Neg 354.3120 C16H18O9 CS
76 18.076 Tanshinone IIA Pos 294.3430 C19H18O3 RSM
77 18.205 Angelicide Pos 380.1917 C24H28O4 RCX
78 20.460 Carthamidin Pos 288.2575 C15H12O6 FC
79 22.078 Linoleic acid Neg 280.2387 C18H32O2 SP
80 22.659 Acetyl-11-keto-β-boswellic acid Pos/Neg 512.7458 C32H48O5 FK
81 22.881 Oleanolic acid Neg 456.3652 C30H48O3 RSM

“a” refers to the component has been verified by standard substance.