Table 1.

Characterization results in UPLC-QTOF-MS/MS analysis.

No.	RT (min)	Compound Name	Ion	m/z	Formula	CAS
1	0.748	Choline	[M+H]+1	104.11	C5H13NO	62-49-7
2	0.772	Proline	[M+H]+1	116.07	C5H9NO2	147-85-3
3	0.775	D-(−)-Quinic acid	[M − H]-1	191.06	C7H12O6	77-95-2
4	0.78	Valine	[M+H]+1	118.09	C5H11NO2	72-18-4
5	0.791	Guanine	[M+H]+1	152.06	C5H5N5O	73-40-5
6	0.794	Uridine monophosphate	[M − H]-1	323.03	C9H13N2O9P	58-97-9
7	0.802	Adenosine 5'-monophosphate	[M − H]-1	346.06	C10H14N5O7P	61-19-8
8	0.814	dl-Malic acid	[M − H]-1	133.01	C4H6O5	6915-15-7
9	0.826	N-Acetylornithine	[M+H]+1	175.11	C7H14N2O3	6205-08-9
10	0.827	N-Acetylornithine	[M − H]-1	173.09	C7H14N2O3	6205-08-9
11	0.866	Citric acid	[M − H]-1	191.02	C6H8O7	77-92-9
12	0.874	Leucylproline	[M+H]+1	229.16	C11H20N2O3	6403-35-6
13	0.876	4-Oxoproline	[M − H]-1	128.03	C5H7NO3	4347-18-6
14	0.877	l-Pyroglutamic acid	[M+H]+1	130.05	C5H7NO3	98-79-3
15	0.877	Adenosine	[M+H]+1	268.1	C10H13N5O4	58-61-7
16	0.885	6-Aminocaproic acid	[M+H]+1	132.1	C6H13NO2	60-32-2
17	1.173	3-Methylxanthine	[M+H]+1	167.06	C6H6N4O2	1076-22-8
18	1.213	Pyrogallol	[M − H]-1	125.02	C6H6O3	87-66-1
19	1.214	Gallic acida	[M − H]-1	169.01	C7H6O5	149-91-7
20	1.514	dl-Leucineamide	[M+H]+1	131.12	C6H14N2O	33042-97-6
21	1.609	l-Tyrosine	[M+H]+1	182.08	C9H11NO3	60-18-4
22	1.886	Theobromine	[M+H]+1	181.07	C7H8N4O2	83-67-0
23	2.13	Gentisic acid	[M − H]-1	153.02	C7H6O4	490-79-9
24	2.507	Paraxanthine	[M+H]+1	181.07	C7H8N4O2	611-59-6
25	2.659	trans-3-Indoleacrylic acid	[M+H]+1	188.07	C11H9NO2	1204-06-4
26	3.124	2-Isopropylmalic acid	[M − H]-1	175.06	C7H12O5	3237-44-3
27	3.19	Methyl gallate	[M − H]-1	183.03	C8H8O5	99-24-1
28	3.246	Catechin	[M − H]-1	289.07	C15H14O6	154-23-4
29	3.368	3-Pyridylamidoxime	[M+H]+1	138.07	C6H7N3O	1594-58-7
30	3.369	Caffeinea	[M+H]+1	195.09	C8H10N4O2	58-08-2
31	3.453	Neochlorogenic acid	[M − H]-1	353.09	C16H18O9	906-33-2
32	4.132	3,4-Dihydroxybenzaldehyde	[M+H]+1	139.04	C7H6O3	139-85-5
33	4.212	2-Hydroxycinnamic acid	[M+H]+1	147.04	C9H8O3	614-60-8
34	4.546	4-Hydroxybenzoic acid	[M+H]+1	139.04	C7H6O3	99-96-7
35	4.549	(−)-Epigallocatechin gallate (EGCG)a	[M − H]-1	457.08	C22H18O11	989-51-5
36	5.017	myricetin 3-O-beta-d-galactopyranoside	[M − H]-1	479.08	C21H20O13	15648-86-9
37	5.021	Myricetin	[M+H]+1	319.05	C15H10O8	529-44-2
38	5.07	Boldenone undecylenate	[M+H]+1	453.34	C30H44O3	13103-34-9
39	5.12	N-Acetyl-l-phenylalanine	[M − H]-1	206.08	C11H13NO3	2018-61-3
40	5.387	Kaempferol 3-O-Rhamnoside	[M − H]-1	739.21	C33H40O19	83170-31-4
41	5.624	5-[(benzoyloxy)methyl]-4,5,6-trihydroxycyclohex-2-en-1-yl benzoate	[M+H]+1	402.16	C21H20O7	78804-17-8
42	5.64	Ellagic acida	[M − H]-1	301	C14H6O8	476-66-4
43	5.698	Rutina	[M − H]-1	609.15	C27H30O16	153-18-4
44	5.836	Quercetin-3β-D-glucoside	[M − H]-1	463.09	C21H20O12	482-35-9
45	5.916	4-Hydroxybenzaldehyde	[M+H]+1	123.04	C7H6O2	123-08-0
46	5.919	N-Isovalerylglycine	[M − H]-1	158.08	C7H13NO3	16284-60-9
47	5.921	(−)-Epicatechin gallate (ECG)a	[M − H]-1	441.08	C22H18O10	1257-08-5
48	5.978	Myricitrin	[M − H]-1	463.09	C21H20O12	17912-87-7
49	6.119	Kaempferitrin	[M − H]-1	577.16	C27H30O14	482-38-2
50	6.484	Trifolin	[M+H]+1	449.11	C21H20O11	23627-87-4
51	6.793	Luteolin	[M+H]+1	287.06	C15H10O6	491-70-3
52	6.853	Quercetin	[M+H]+1	303.05	C15H10O7	117-39-5
53	7.18	4-Hydroxybenzoic acid	[M − H]-1	137.02	C7H6O3	99-96-7
54	7.322	Triethyl phosphate	[M+H]+1	183.08	C6H15O4P	78-40-0
55	7.323	Diethyl phosphate	[M+H]+1	155.05	C4H11O4P	598-02-7
56	7.833	Quercetin	[M − H]-1	301.04	C15H10O7	117-39-5
57	7.955	Kaempferol	[M+H]+1	287.06	C15H10O6	520-18-3
58	11.523	12-Aminododecanoic acid	[M+H]+1	216.2	C12H25NO2	693-57-2
59	14.044	N,N-Dimethyldecylamine N-oxide	[M+H]+1	202.22	C12H27NO	2605-79-0
60	15.116	2,2,6,6-Tetramethyl-4-piperidinol	[M+H]+1	158.15	C9H19NO	2403-88-5
61	17.196	6-(3-Pyridyl)-1,3,5-triazine-2,4-diamine	[M+H]+1	189.09	C8H8N6	18020-61-6
62	18.072	Palmitic acid	[M+H]+1	274.27	C16H32O2	57-10-3
63	18.224	2-Amino-1,3,4-octadecanetriol	[M+H]+1	318.3	C18H39NO3	13552-11-9
64	18.226	Sedanolide	[M+H]+1	195.14	C12H18O2	6415-59-4
65	18.246	Decanamide	[M+H]+1	172.17	C10H21NO	2319-29-1
66	19.288	Ostruthin	[M − H]-1	297.15	C19H22O3	148-83-4
67	19.405	Dodecyl sulfate	[M − H]-1	265.15	C12H26O4S	151-41-7
68	19.458	Bis(4-ethylbenzylidene)sorbitol	[M+H]+1	415.21	C24H30O6	79072-96-1
69	19.566	4-Ethoxy ethylbenzoate	[M+H]+1	195.1	C11H14O3	23676-09-7
70	19.963	Diphenylamine	[M+H]+1	170.1	C12H11N	122-39-4
71	20.769	4-Dodecylbenzenesulfonic acid	[M − H]-1	325.18	C18H30O3S	121-65-3
72	20.772	Cyclohexyl phenyl ketone	[M+H]+1	189.13	C13H16O	712-50-5
73	21.101	Myristyl sulfate	[M − H]-1	293.18	C14H30O4S	4754-44-3
74	21.254	3,5-di-tert-Butyl-4-hydroxybenzaldehyde	[M+H]+1	235.17	C15H22O2	1620-98-0
75	21.801	Tris (2-butoxyethyl) phosphate	[M+H]+1	399.25	C18H39O7P	78-51-3
76	22.271	Diisobutylphthalate	[M+H]+1	279.16	C16H22O4	84-69-5
77	23.416	16-Hydroxyhexadecanoic acid	[M − H]-1	271.23	C16H32O3	506-13-8
78	23.547	7-(2-hydroxypropan-2-yl)-1,4a-dimethyl-decahydronaphthalen-1-ol	[M+H]+1	223.21	C15H28O2	60132-35-6
79	23.639	Palmitoyl ethanolamide	[M+H]+1	300.29	C18H37NO2	544-31-0
80	24.41	Estriol	[M+H]+1	311.16	C18H24O3	50-27-1
81	24.631	2,2'-Methylenebis (4-methyl-6-tert-butylphenol)	[M − H]-1	339.23	C23H32O2	119-47-1
82	24.912	Hexadecanamide	[M+H]+1	256.26	C16H33NO	629-54-9
83	25.334	Oleamide	[M+H]+1	282.28	C18H35NO	301-02-0
84	25.793	Oleoyl ethanolamide	[M+H]+1	308.3	C20H39NO2	111-58-0
85	26.567	Laurolactam	[M+H]+1	198.19	C12H23NO	947-04-6
86	26.619	Erucamide	[M+H]+1	338.34	C22H43NO	112-84-5
87	27.025	Diethyl 2-{[(2-{[3-(trifluoromethyl)-2-pyridyl]amino}ethyl)amino]methylidene}malonate	[M − H]-1	374.13	C16H20F3N3O4	215500-77-9
88	28.177	Stearamide	[M+H]+1	284.3	C18H37NO	124-26-5
89	28.209	Stearoyl Ethanolamide	[M+H]+1	310.31	C20H41NO2	111-57-9

^aThis letter indicates the identification of the compound was confirmed by the authentic standards.