|
No. | RTa (min) | Compound | Peak Areab (%) |
PW | PB | PE | PP |
|
1 | 0.69 | 6-Hydroxyangelicin | 0.40 | — | — | — |
2 | 0.89 | Mannitol | — | 0.43 | — | — |
3 | 0.91 | 3-Buten-2-one 1-(2,3,6-trimethyl phenyl) | 1.37 | 0.23 | — | — |
4 | 0.96 | Lactulose | — | 0.28 | — | — |
5 | 0.97 | Ectoine | — | 1.81 | — | — |
6 | 0.98 | Heptyl formate | 0.45 | 0.38 | — | — |
7 | 0.99 | Genipic acid | 0.45 | — | — | — |
8 | 1.00 | 2,4-Diethylthiazole | — | 1.56 | — | — |
9 | 1.05 | 2,5-Dioxopentanoate | 2.18 | — | — | — |
10 | 1.24 | 2-Hydroxyethanesulfonate | 0.40 | 0.39 | — | — |
11 | 1.27 | 2,6-Piperidinedicarboxylic acid | 1.09 | — | — | — |
12 | 1.37 | Pregabalin | 1.99 | — | — | — |
13 | 1.38 | N-acetylhistamine | 1.46 | — | — | — |
14 | 1.38 | Nipecotic acid | 11.99 | 1.51 | — | — |
15 | 1.39 | 4-Guanidinobutanoic acid | — | 0.25 | — | — |
16 | 1.44 | Gln gly | 1.87 | — | — | — |
17 | 1.52 | Cytarabine | — | 0.74 | — | — |
18 | 1.62 | Ser val gly | — | 2.46 | — | — |
19 | 1.74 | Ormetoprim | 0.29 | — | — | — |
20 | 2.02 | 6-Hydroxynicotinic acid | — | — | 0.33 | — |
21 | 2.54 | 3,3,5-Triiodo-L-thyronine-beta-D-glucuronoside | — | 0.35 | — | — |
22 | 3.13 | 2-Phenylacetamide | 0.63 | 0.52 | 3.86 | 0.10 |
23 | 4.1 | (S)-5′-deoxy-5'-(methylsulfinyl)adenosine | — | 0.54 | — | — |
24 | 4.12 | Adenine | — | 1.88 | — | — |
25 | 4.12 | Adenosine | 0.39 | 14.99 | 0.47 | — |
26 | 4.19 | Cordycepin | — | 0.32 | — | — |
27 | 4.31 | Patulin | 0.42 | — | — | — |
28 | 4.34 | 4-Pyridoxic acid | — | 0.27 | 0.36 | — |
29 | 4.35 | Inosine | — | 0.94 | — | — |
30 | 4.36 | 3′-Deoxyadenosine | — | — | 0.41 | — |
31 | 4.39 | α-[1-(ethylamino)ethyl]-p-hydroxy- benzyl alcohol | — | — | 0.56 | — |
32 | 4.93 | Selfotel | 1.51 | — | — | — |
33 | 4.98 | 2-Acetyl-1-ethylpyrrole | 3.72 | 0.30 | 5.22 | 0.08 |
34 | 4.99 | 3-Aminobenzamide | 0.87 | — | 0.93 | — |
35 | 5.01 | 4-Hydroxydihydrocinnamaldehyde | — | — | 0.36 | — |
36 | 5.11 | Imidazoleacetic acid | — | — | 0.79 | — |
37 | 5.16 | Mequinol | 0.34 | 2.55 | — | — |
38 | 5.36 | 2-Pyrocatechuic acid | 0.62 | — | 0.85 | — |
39 | 5.36 | L-tryptophan | 1.52 | 0.44 | — | — |
40 | 5.39 | Imidacloprid-guanidine | 0.39 | 0.27 | 1.07 | — |
41 | 5.50 | Dopamine | — | — | 0.50 | — |
42 | 5.76 | Methiocarb-sulfoxide | 0.45 | — | — | — |
43 | 5.81 | 3-(4-methoxy-6-oxopyran-2-yl)butanoic acid | 0.51 | — | — | — |
44 | 6.24 | 1-naphthylmethanol | — | — | 0.89 | — |
45 | 6.41 | 1H-indole-3-carboxaldehyde | 2.65 | 0.32 | 1.86 | 0.38 |
46 | 6.73 | n-Acetylhomoproline | — | 0.23 | — | — |
47 | 6.77 | Methyl 3-methyl-1-butenyl disulfide | 0.75 | 0.28 | — | — |
48 | 6.82 | Aesculin | — | — | 0.66 | — |
49 | 6.87 | Oleic acid | — | — | 0.47 | — |
50 | 6.89 | Beta-carboline | — | — | 0.86 | — |
51 | 6.98 | 3-Carboxypropyl trimethylammonium | 0.43 | — | 0.39 | — |
52 | 6.99 | Apigenin | — | — | 8.48 | 11.28 |
53 | 7.28 | trans-O-hydroxybenzylidenepyruvate | 0.35 | — | — | — |
54 | 7.31 | Eugenitol | 0.85 | 0.22 | 0.84 | — |
55 | 7.54 | Glycolic acid | — | — | — | 0.18 |
56 | 7.59 | 2-Ketobutyric acid | — | — | — | 0.12 |
57 | 7.61 | Indoleacetic acid | 0.44 | — | 0.43 | — |
58 | 7.62 | 4-Methyl-1-phenyl-2-pentanone | 1.35 | — | — | — |
59 | 7.66 | 3-Methyl-1-phenyl-3-pentanol | 8.05 | — | 0.72 | — |
60 | 7.69 | 3′-Methoxy-E,E-dienoestrol | 0.36 | — | 0.70 | — |
61 | 7.79 | 2-Butyl-1-octanol | 0.38 | — | 0.52 | — |
62 | 7.80 | 2-Hydroxy-8-methylchromene-2-carboxylate | 0.43 | — | 1.91 | — |
63 | 7.84 | Diflufenican | — | 1.78 | 0.82 | — |
64 | 7.89 | 3-Methylbenzaldehyde | 0.40 | — | 0.42 | — |
65 | 7.98 | Luteolin 7-galactoside | 6.59 | 2.42 | 0.76 | — |
66 | 7.99 | 2-Naphthol | 2.30 | 0.24 | 0.94 | — |
67 | 8.16 | Apiin | 2.34 | 3.64 | 0.78 | — |
68 | 8.17 | Ambolin | — | 6.72 | 1.49 | — |
69 | 8.19 | 2-Hydroxymuconate semialdehyde | 1.29 | 5.21 | 1.53 | — |
70 | 8.20 | Decanoic acid, 3-amino-, (S)- | — | 0.66 | 2.77 | — |
71 | 8.21 | Indoleacrylic acid | 0.54 | — | 1.82 | — |
72 | 8.22 | Glycine | — | — | — | 0.11 |
73 | 8.27 | Aesculetin | 0.11 | 0.56 | 4.32 | 13.28 |
74 | 8.27 | Pelargonidin 3-O-glucoside | — | 2.08 | 2.61 | — |
75 | 8.32 | Peonidin-3-O-beta-galactopyranoside | 0.18 | 1.95 | 2.97 | — |
76 | 8.46 | 2-Butyl-3-phenyl-2-propen-1-al | 0.79 | 0.35 | 0.95 | — |
77 | 8.61 | 1,6-Dimethoxypyrene | 0.30 | — | 2.08 | — |
78 | 8.65 | Foliosidine | 0.51 | — | 1.76 | — |
79 | 8.72 | Ensulizole | 2.23 | — | 1.53 | — |
80 | 8.73 | 3-Hydroxypropionic acid | — | — | — | 2.61 |
81 | 8.84 | Flavan skeleton | 0.40 | — | 1.82 | — |
82 | 8.92 | Chalconaringenin | — | 4.87 | — | — |
83 | 9.01 | Peonidin 3-(6″-acetylglucoside) | — | — | 1.82 | — |
84 | 9.27 | Mesylate | 7.13 | 3.03 | 0.59 | — |
85 | 9.33 | 15-Methylpalmitate (2R,3R)-2-(3,4-dihydroxyphenyl)-3,5- | 0.12 | 7.18 | 2.26 | — |
86 | 9.40 | Dihydroxy-7-methoxy-2,3-dihydrochromen-4-one | 1.86 | 1.17 | — | — |
87 | 9.70 | α-Terpinene | 0.45 | 0.51 | 0.37 | 0.47 |
88 | 9.80 | 4-Methyl-N-ethylcathinone | 0.54 | 1.43 | 0.86 | — |
89 | 9.93 | Perillyl acetate | 0.65 | 0.26 | 1.39 | — |
90 | 10.27 | 5,6,7,8-Tetrahydro-2-naphthol | 1.12 | 2.36 | 1.49 | — |
91 | 10.52 | Cicaprost | — | 0.25 | 2.47 | — |
92 | 13.72 | Erucamide | 2.27 | 0.75 | 0.80 | 0.09 |
93 | 13.91 | Oxoproline | — | — | — | 0.16 |
94 | 14.52 | (2R,3S)-2-Hydroxy-3-isopropylbutanedioic acid | — | — | — | 0.16 |
95 | 15.44 | Vanillin | — | — | — | 0.39 |
96 | 15.51 | Lauric acid | — | — | — | 0.17 |
97 | 15.80 | DL-anabasine | — | — | — | 1.79 |
98 | 15.93 | Phthalic acid | — | — | — | 0.35 |
99 | 16.01 | Methyl jasmonate | — | — | — | 1.44 |
100 | 16.23 | D-arabitol | — | — | — | 0.58 |
101 | 16.24 | Ribitol | — | — | — | 0.42 |
102 | 16.59 | N-(2-hydroxyethyl)-iminodiacetic acid | — | — | — | 0.10 |
103 | 16.68 | Farnesal | — | — | — | 19.37 |
104 | 16.72 | S-carboxymethylcysteine | — | — | — | 0.17 |
105 | 16.87 | Gentisic acid | — | — | — | 1.81 |
106 | 16.97 | terephthalic acid | — | — | — | 1.10 |
107 | 17.07 | Farnesol | — | — | — | 0.40 |
108 | 17.13 | N-acetylisatin | — | — | — | 0.16 |
109 | 17.64 | Myristic acid | — | — | — | 0.47 |
110 | 17.76 | Fructose | 0.78 | — | — | — |
111 | 18.08 | Butylphthalide | — | — | — | 18.42 |
112 | 18.09 | Galactose | 0.10 | — | — | — |
113 | 18.59 | Coniferyl alcohol | — | — | — | 0.82 |
114 | 18.70 | 1-Hexadecanol | — | — | — | 0.12 |
115 | 19.45 | 4-Hydroxymethyl-3-methoxyphenoxyacetic acid | — | — | — | 13.54 |
116 | 19.62 | Palmitic acid | — | — | — | 0.64 |
117 | 19.94 | Myo-inositol | — | — | — | 0.08 |
118 | 20.61 | 6-Hydroxy caproic acid dimer | — | — | — | 0.35 |
119 | 21.17 | Linoleic acid | — | — | — | 0.78 |
120 | 21.40 | Stearic acid | — | — | — | 0.76 |
121 | 28.89 | Cholestan-3beta-ol | — | — | — | 0.25 |
122 | 30.62 | Cholestane-3,5,6-triol, (3beta, 5alpha,6beta)- | — | — | — | 0.82 |
| | Total | 84.35 | 81.88 | 75.86 | 94.32 |
|