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. 2015 Jun 8;5:10836. doi: 10.1038/srep10836

Table 2. Chemical structures in water-soluble humic material detected by TMAH-py-GC/MS.

Peak No. Retention time (min) Compound Area% Formula Mr CAS
1 2.300 2-methylfuran 0.69 C5H6O 82 534-22-5
2 2.395 Acrylic acid methyl ester 2.44 C4H6O2 86 96-33-3
3 2.535 Methyl propionate 1.87 C4H8O2 88 554-12-1
4 3.600 Methacrylic acid methyl ester 0.87 C5H8O2 100 80-62-6
5 4.210 2-chloroethyl methyl ether 2.25 C3H7ClO 94 627-42-9
6 4.415 (Dimethylamino) acetonitrile 4.43 C4H8N2 84 926-64-7
7 4.475 Pyrrole 2.45 C4H5N 67 109-97-7
8 4.710 Toluene 4.06 C7H8 92 108-88-3
9 5.145 2-Hydroxy-2-methyl-6-hepten-3-one 0.54 C8H14O2 142 996-61-2
10 5.575 3-(Octylamino) propanenitrile 0.58 C11H22N2 182 29504-89-0
11 5.690 Hexamethylcyclotrisiloxane 0.15 C6H8O3Si3 222 541-5-9
12 5.845 N,N-dimethyl-2-phosphinoethanamine 1.07 C4H12NP 105 161944-90-7
13 6.175 2-cyclopenten-1-one 0.82 C5H6O 82 930-30-3
14 6.755 Ethylbenzene 0.52 C8H10 106 100-41-4
15 6.815 2,5-Dimethylpyrrole 0.38 C6H9N 95 625-84-3
16 6.960 Dimethylbenzene 1.17 C8H10 106 95-47-6
17 7.435 1,3,5,7-Cyclooctatetraene 1.09 C8H8 108 629-20-9
18 7.960 Methoxybenzene 0.68 C7H8O 108 100-66-3
19 8.985 6-(Hydroxy-phenyl-methyl)-2,2-dimethyl-cyclohexanone 1.23 C15H20O2 232 CID557652 (NCBI no.)
20 9.205 Oktamethylcyklotetrasiloxan 0.39 C8H24O4Si4 296 556-67-2
21 9.555 Phenol 3.13 C6H6O 94 108-95-2
22 9.655 3-(Octylamino)Propanenitrile 1.03 C11H22N2 182 29504-89-0
23 10.095 (+)-dimethyl 2,3-O-benzylidene-D-tartrate 2.27 C13H14O6 266 38270-70-1
24 10.275 Butanedioic acid, dimethyl ester 2.86 C6H10O4 146 106-65-0
25 10.860 2-Methylphenol 0.77 C7H8O 108 95-48-7
26 11.010 2-Propenoic acid, 2-benzoylamino-3-phenyl,ethyl ester 0.57 C18H17NO3 295 32089-78-4
27 11.080 3-Ethyl-2-hydroxy-2-cyclopenten-1-one 0.35 C7H10O2 126 21835-1-8
28 11.350 3,4,4-Trimethyl-2-cyclopenten-1-one 3.25 C8H12O 124 30434-65-2
29 11.455 N-methylsuccinimide 4.4 C5H7NO2 113 1121-7-9
30 12.300 o-Dimethoxybenzene 0.94 C8H10O2 138 91-16-7
31 13.550 2,4-Imidazolidinedione,3,5,5-trimethyl- 0.8 C6H10N2O2 142 6345-19-3
32 13.600 S-(2,5-Dihydroxyphenyl) cyclohexylthiocarbamate 1.1 C13H17NO3S 267 345259-5-4
33 14.465 N-methylindolea 0.65 C9H9N 131 603-76-9
34 14.575 Dimethyl(2E,4E)-2,4-hexadienedioate 0.52 C8H10O4 170 1733-37-5
35 14.940 Benzeneacetonitrile 1.09 C8H7N 117 140-29-4
36 15.430 Piperidine, 1,1-methylenebis- 3.44 C11H22N2 182 880-9-1
37 15.855 1,2,4-Trimethoxybenzene 0.33 C9H12O3 168 135-77-3
38 15.930 1,3-Dimethylindolea 0.35 C10H11N 145 875-30-9
39 16.030 Benzoic acid, 4-methoxy-, methyl ester 0.5 C9H10O3 166 121-98-2
40 16.160 Methyl 5-oxo-2-pyrrolidinecarboxylate 2.55 C6H9NO3 143 54571-66-3
41 16.790 N-methylphthalimide 0.73 C9H7NO2 161 550-44-7
42 17.060 2,4(1H,3H)-Pyrimidinedione 2.01 C7H10N2O2 154 4401-71-2
43 17.440 3,4,5-Trimethoxybenzylamine 0.56 C10H15NO3 197 18638-99-8
44 17.955 Dodecanoic acid, methyl ester 1.370 C13H26O2 214 111-82-0
45 18.485 (3Z)-1-Methyl-1H-indole-2,3-dione 3-hydrazonea 0.490 C9H9N3O 175 3265-23-4
46 18.755 Methyl 3,5-dimethoxybenzoate 3.140 C10H12O4 196 2150-37-0
47 18.870 Benzoic acid, 3,4-dimethoxy-,methyl ester 0.920 C10H12O4 196 2150-38-1
48 20.425 3,4,5-Trimethoxybenzoic acid, methyl ester 1.950 C11H14O5 226 1916-7-0
49 20.480 Methyl tetradecanoate 0.910 C15H30O2 242 124-10-7
50 21.320 Pentadecanoic acid, methyl eater 0.510 C16H32O2 256 7132-64-1
51 22.115 1H-purine-2,6-dione, 3,7-dihydro-1,3,7-trimethyl 0.530 C8H10N4O2 194 58-8-2
52 22.350 Hexadecanoic acid, methyl ester 0.660 C17H34O2 270 112-39-0
53 22.760 Hexadecanoic acid, methyl ester 3.430 C17H34O2 270 112-39-0
54 23.510 4-[2-(4-Hydroxy-phenyl)-viny]-benzoic acid 0.850 C15H12O3 240 152027-61-7
55 23.680 Cyclopropaneoctanoic acid, 2-hexyl-,methyl ester 0.450 C18H34O2 282 10152-61-1
56 23.745 3-Hydroxy-7-methoxy-3-phenyl-4-chromanoneb 1.140 C16H14O4 270 18380-57-9
57 24.590 9-Octadecenoic acid (Z)-,methyl ester 1.240 C19H36O2 296 112-62-9
58 24.645 9-Octadecenoic acid (Z)-,methyl ester 0.710 C19H36O2 296 112-62-9
59 24.830 Octadecanoic acid, methyl ester 1.340 C19H38O2 298 112-61-8
60 25.690 10-Nonadecenoic acid, methyl ester 0.460 C20H38O2 310 56599-83-8
61 26.085 2-Phenanthrenamine, 9,10-dihydro-7-nitro- 8.500 C14H12N2O2 240 18264-82-9
62 26.760 1-Phenanthrenecarboxylic acid, 7-ethenyl-1,2,3,4,4a,4b,5,6,7,8,10,10a -dodecahydro-1,4a,7-trimethyl-,methyl ester, (1R,4aR,4bS,7S,10aR)- 1.930 C21H32O2 316 1686-62-0
63 26.860 6-Methyl-4-phenyl-3-cyanopyridine-2(1H)-thione 1.980 C13H10N2S 226 78564-23-5
64 26.920 Methyl 5-[2-(3-furyl)ethyl]-1,4a-dimethyl-6-methylidene-decalin-1-carboxylate 2.070 C21H30O3 330 10267-15-9
65 27.060 Methyl dehydroabietyate 2.010 C21H30O2 314 1235-74-1
66 27.540 Methyl abietate 0.490 C21H32O2 316 127-25-3
67 29.145 7-Oxodehydroabietic acid, methyl ester 0.600 C21H28O3 328 110936-78-2
68 30.175 Tetracosanoic acid, methyl ester 0.440 C25H50O2 382 2442-49-1

aIndole-like Compounds.

bFlavonoid-like compound.