Comparisons of Chemical Profiles and Gastroprotective Effects of Citri Sarcodactylis Fructus Pre- and Poststeam Processing

Table 2

UPLC-Q-TOF-MS characterization data of CSF and SCSF under positive or negative ion modes.

No.	Identification	Formula	TR (min)	m/z	Mode	Error (ppm)	MS^2 fragments (m/z)	Trend
1	3-Hydroxy-2-methoxy-5,6-dimethyl-benzoic acid	C10H12O4	12.63	196.07	M+H	−3.4	151, 137, 118, 109	↑
2	7-(2-Hydroxyethoxy)-6-methoxy-coumarin	C12H12O5	13.86	236.06	M+H	−2.6	119, 133, 147, 149, 162, 177	↓
3	Hesperetin-5-O-glucoside	C22H24O11	14.38	464.13	M+H	−2.7	303, 285, 231, 219, 153, 145	↓
4	Oxypeucedanin hydrate	C16H16O6	16.79	304.09	M+H	−1.3	119, 131, 147, 159, 175, 203	↑
5	Limonin	C26H30O8	16.77	470.19	M+H	−1.5	161, 201, 213, 205, 277, 407, 425, 453	↑
6	Byakangelicol	C17H16O6	17.58	316.09	M+H	−0.9	117, 134, 175, 203, 218, 231, 230, 233	↑
7	5,7-Dimethoxycoumarin	C11H10O4	18.94	206.05	M+H	−0.9	107, 121, 135, 149, 164, 163, 192	↓
8	Bergapten	C12H8O4	20.15	216.04	M+H	−1.7	115, 118, 131, 146, 156, 174, 202, 217	↑
9	Oxypeucedanin	C16H14O5	22.89	286.08	M+H	−0.8	119, 131, 147, 159, 175, 202, 203	↓
10	3,5,6-Trihydroxy-3’,4’,7-trimethoxyflavone	C18H16O8	23.68	360.08	M+H	−0.5	183, 245, 285, 287, 315, 345	↑
11	Nomilinic acid	C28H36O10	23.67	532.23	M+H	−0.8	437, 341, 205, 161	↑
12	Nomilin	C28H34O9	20.43	514.22	M+H	−0.5	515, 469, 391, 307, 261, 205, 161, 95	↓
13	5-Isopentenyloxy-7-methoxycoumarin	C15H16O4	24.57	260.10	M+H	−2.3	199, 121, 117, 149, 175, 177, 205	↓
14	5-Methoxy-8-hydroxypsoralen	C12H8O5	24.82	232.03	M+H	−3.3	106, 134, 145, 161, 190, 218, 217	↓
15	Obacunone	C26H30O7	23.61	454.19	M+H	0.9	455, 179, 149, 189, 59	↑
16	Hydroxy‐methoxy coumarin	C10H8O4	25.30	192.04	M+H	−2.8	105, 122, 133, 150, 149, 161, 178, 178	↓
17	Bergaptol	C11H6O4	25.17	202.02	M+H	1.6	117, 117, 145	↓
18	Leucine	C6H13NO2	1.79	131.09	M+H	−0.1	86, 69, 56	↓
19	1-O-(3-butenyl)-6-O-α-L-arabinosyl-β-D-glucopyranoside	C15H26O10	11.11	366.15	M-H	0.9	101, 125, 221, 282	↑
20	3-Methoxy-4-O-β-D-glucosyl benzoate	C16H22O9	12.64	358.12	M-H	1.3	151, 195	↑
21	5,6,7,8,3’4’-Hexamethoxyflavone-3-O-(3-hydroxy-5-methoxy-3-methyl-5-oxopentanoyl)-β-D- glucopyranoside	C34H42O18	12.64	738.23	M-H	0.8	217, 357, 379, 737	↓
22	Cnidioside-B	C18H22O10	12.88	398.12	M-H	0.0	235, 217, 217, 201, 176, 161	↓
23	7-Hydroxycoumarin	C9H6O3	12.93	162.03	M-H	2.2	105, 161, 89, 65	↓
24	Diosmetin-6,8-di-C-β-D-glucopyranoside	C28H32O16	12.96	624.16	M-H	2.5	312, 383, 503	↓
25	Neoeriocitrin	C27H32O15	13.26	596.17	M-H	0.9	459, 287, 151, 135	↓
26	3-Epi-swertiajaposide C	C17H24O10	13.42	388.13	M-H	0.7	166, 181, 225, 207, 151	↓
27	Hexosylpentose-flavonoid glycoside	C27H30O15	14.25	594.15	M-H	1.0	285, 593	↓
28	Hesperidin	C28H34O15	14.39	610.19	M-H	1.8	286, 301	↓
29	Diosmin	C28H32O15	15.36	608.17	M-H	1.5	284, 299	↓
30	1-O-Acetyl-3-O-[-1-oxo-3(4-hydroxy-3-methoxyphenyl)-2-propene]β-D-fructofuranosyl-2,3,6-triacetate-α-D-glucopyranoside	C30H38O18	16.62	686.20	M-H	0.9	191, 235, 279, 397, 439, 541	↓
31	Isomer of peak 17	C11H6O4	16.77	202.02	M-H	1.6	117, 117, 145	↓
32	3-Propyl-4-methyl-5,7-diethoxycoumarin	C17H18O8	16.81	350.10	M-H	0.8	117, 201	↓
33	Unknown	C32H42O17	17.24	698.24	M-H	1.4	195, 194, 357, 697	↑
34	Hesperetin	C16H14O6	19.11	302.07	M-H	−0.1	301, 285, 201, 164, 136, 108	↓
35	3,5,6-Trihydroxy-4’,7-dimethoxyflavones	C17H14O7	24.28	330.07	M-H	−0.4	127, 171, 255, 271	↓
36	Diosmetin	C16H12O6	23.28	300.06	M-H	−0.5	107, 255, 256	↓
37	Methoxy heptadecanoic acid	C18H32O3	26.18	296.23	M-H	−0.3	114, 115, 158	↓
38	Isomer of peak 16	C10H8O4	13.09	192.04	M-H	−2.8	105, 149, 161, 178	↑
39	Glucose	C6H12O6	1.51	180.06	M-H	2.1	89, 85, 71, 59	↓
40	Lactose	C12H22O11	1.54	342.11	M-H	−0.7	341, 221, 179, 149, 119, 89, 59	↓
41	(5R)-5-[(1R)-1,2-Dihydroxyethyl]-β-D-lyxopyranosyl-(1->6)-β-D-glucopyranosyl-(1->2)-α-D-Glucopyranose	C19H34O17	1.55	534.18	M-H	0.9	191, 127, 85	↓
42	7α-D-Glucopyranosyloxy-2,3,4,5,6-pentahydroxyheptanoic acid	C13H24O13	1.52	388.12	M-H	−0.6	341, 221, 179, 149, 119, 89, 59	↓