Table 1.

The chromatographic and mass spectrometric data of galli gigeriae endothelium corneum ethyl acetate extract using HPLC-QTOF–MS/MS

	RT	Precusor ion (amu)M	Selective ion	m/z		Mass error (ppm)	Formula	Observed diagnostic CID fragment ions	Identification
				Measured	Calculated
1	2.28	113.0589	[M + H]+	114.0664	114.0662	− 1.87	C4H7N3O	72.0562	Creatinine [19]
2	2.42	135.0538	[M + H]+	136.0611	136.0604	− 3.45	C5H5N5	119.0342, 92.0241, 65.0132	Adenine [19]
3	2.52	151.0494	[M + H]+	152.0559	152.0567	1.78	C5H5N5O	135.0291, 110.0347, 80.0259	Guanine [20]
4	2.77	136.0377	[M + H]+	137.0450	137.0458	2.79	C5H4N4O	119.0345, 110.0354, 94.0384	Hypoxanthine [20]
5	3.77	267.0952	[M + H]+	268.1025	268.1040	3.73	C10H13N5O4	136.0618	Adenosine [20]
6	3.92	122.048	[M + H]+	123.057	123.0553	− 1.02	C6H6N2O	109.0464, 80.0465, 53.0366	Niacinamide [19]
7	4.96	168.0896	[M + H]+	169.0969	169.0972	− 0.27	C8H12N2O2	98.0600, 70.0656	Pyridoxamine [19]
8	5.18	131.0946	[M + H]+	132.1014	132.1019	1.85	C6H13NO2	86.0965, 69.0701, 57.0580, 44.0500	Leucine/isoleucine [21]
9	5.97	129.0574	[M + H]+	130.0647	130.0651	3.3	C9H7N	103.0546, 77.0385	Isoquinoline [20]
10	11.16	173.1052	[M + H]+	174.1146	174.1125	− 2.31	C8H15NO3	90.0492, 57.0671	Acly-glycine [21]
11	12.00	416.1075	[M + H]+	417.1148	417.1180	0.71	C21H20O9	255.0627	Daidzin [23]
12	12.36	446.1176	[M + H]+	447.1249	447.1286	2.3	C22H22O10	285.0751	Glycitin [23]
13	12.37	446.0817	[M + H]+	447.0890	447.0902	3.3	C21H18O11	271.0591	Genistein-O-glucuronide [24]
14	13.02	276.1090	[M + H]+	277.1163	277.1183	0.3	C14H16N2O4	231.1117, 186.0894	N-lactoyl-tryptophan [21]
15	13.50	210.1348	[M + H]+	211.1421	211.1441	2.4	C11H18N2O2	138.1272, 70.0655	L,L-Cyclo(leucylprolyl) [22]
16	15.03	502.1074	[M + H]+	503.1147	503.1184	0.01	C24H22O12	255.0631	6″-O-Malonyldaidzin [24]
17	15.20	432.103	[M + H]+	433.1103	433.1129	2.68	C21H20O10	271.0581	Genistin [23]
18	15.74	175.0621	[M + H]+	176.0730	176.0706	− 1.11	C10H9NO2	130.0588	Indoleacetic acid [30]
19	17.02	458.1188	[M + H]+	459.1261	459.1286	2.34	C23H22O10	255.0634	6″-O-Acetyldaidzin [24]
20	17.28	488.1288	[M + H]+	489.1361	489.1391	3.15	C24H24O11	285.0737	6″-O-Acetylglycitin [24]
21	17.91	518.1029	[M + H]+	519.1102	519.1133	− 0.55	C24H22O13	271.0584	6″-Malnoylgenistin [24]
22	18.67	145.0527	[M + H]+	146.0602	146.0621	0.28	C9H7NO	91.0547, 77.0392	1H-Indole-3-carboxaldehyde [31]
23	20.35	474.1146	[M + H]+	475.1219	475.1235	3.35	C23H22O11	271.0578	6″-O-Acetylgenistin [24]
24	21.25	254.0563	[M + H]+	255.0636	255.0652	3.24	C15H10O4	237.0527, 137.0223	Daidzein [23]
25	21.76	284.0666	[M + H]+	285.0739	285.0757	2.51	C16H12O5	270.0501, 242.0548	Glycitein [23]
26	25.21	515.2909	[M + H]−	514.2836	514.2844	1.55	C26H45NO7S	353.2490, 124.0074, 106.9810, 80.0027	Taurocholic acid [28, 29]
27	26.15	465.3094	[M + H]−	464.3021	464.3018	− 0.73	C26H43NO6	435.3073, 402.2974, 74.0251	Glycocholic acid [27]
28	26.72	270.0511	[M + H]+	271.0584	271.0601	3.29	C15H10O5	153.0171	Genistein [23]
29	28.14	406.2692	[M + H]−	405.2619	405.2636	3.76	C24H38O5	389.2649, 371.2541, 353.2437	Oxocholic acid [26]
30	30.31	499.2969	[M + H]−	498.2896	498.2895	− 0.24	C26H45NO6S	480.2758, 124.0074, 106.9810, 80.0027	Taurochenodeoxycholic acid [28]
31	31.23	408.2861	[M + H]−	407.2803	407.2788	3.67	C24H40O5	389.2641, 343.2629, 289.2168	Cholic acid [25, 26]
32	32.09	449.3138	[M + H]−	448.3065	448.3068	0.77	C26H43NO5	405.2652, 386.3051, 330.2422, 74.0251	Glycochenodeoxycholic acid [27]
34	39.88	392.2925	[M + H]−	391.2852	391.2854	0.47	C24H40O4	373.2694	Chenodeoxycholic acid [25, 26]