Supplementary Materials for: Analysis of Carbon Tetrachloride-extractable Species from Daxing Bituminous Coal Cai-Xia Jv1,2 *, Feng-Gang Li2, Peng Yan2, Meng-Meng Fan2, Lin-Lin Jia 2, Hong Zhang 1, Xian-Yong Wei 1*, Zhi-Min Zong 1 Three supporting tables (Table S1-S3) are included in Supplementary Materials. 1 Table S1. Compounds identified by GC-MS for the extract obtained by the SE method. Peak time RC（%） Formula Name 1 3.0815 C2H4BrCl 8.32 ethane,1-bromo-2-chloro- C4Cl6O3 2 3.1613 0.863 acetic acid, trichloro-anhydride 3 3.378 CBrCl3 9.57 methane,bromotrichloro- C2H3Cl3 4 3.4996 29.15 ethane,1,1,2-trichloro- 5 3.6364 C5H8Cl2O 16.64 3-pentanone,1,5-chichloro- C2Cl4 6 4.0089 3.968 tetrachloroethylene 7 4.1952 C6H12O2 2.586 2-ethoxytetrahychofuran C9H18 8 4.4308 3.2 cyclohexane,1,1,3-trimethyl- 9 5.6281 C6H11Cl 2.746 cyclohexane,chloro- 10 12.6672 22.95 C2Cl6 ethane,hexachloro- 2 Table S2. Compounds identified by GC-MS for the extract obtained by the UAE method. Peak time RC（%） Formula Name Trichloroacetic acid, dodecyl 1 5.2437 1.63 C14H25Cl3O2 ester C H O Dodecyl isobutyl carbonate 2 5.4021 1.32 17 34 3 C H O 3 5.6938 0.57 18 34 (Z)-13-Octadecenal 1-butyl-2-propyl- 4 5.8127 1.41 C12H24 Cyclopentane beta.,2,3-trimethyl- 5 6.234 1.65 C10H20O Cyclopentaneethanol C H O Phytol 6 7.3719 0.725 20 40 C H 7 7.5448 3.008 9 12 Mesitylene C HCl Cyclopropane, pentachloro- 8 8.1101 10.58 3 5 C Cl 9 8.8916 10.02 2 6 Ethane, hexachloro- 2-Octen-1-ol, 3,7-dimethyl-, 10 9.583 1.75 C14H26O2 isobutyrate, (Z)- 4-t-Butyl-2-(1-methyl-2- 11 13.1842 1.284 C13H23NO3 nitroethyl) cyclohexanone 1,1,6,6-Tetramethylspiro 12 14.6751 1.12 C13H24 [4.4]nonane 2-Butyloxycarbonyloxy- C H O 13 14.7868 1.06 18 30 5 1,1,10-trimethyl-6,9- epidioxydecalin 1,1,3-trimethyl-3-(2-methyl-2- 14 15.363 4.11 C12H22 propenyl)- Cyclopentane, C H Tetradecane, 2,6,10-trimethyl- 15 15.9644 3.33 17 36 C H 16 16.4001 5.02 16 30 4,12-Hexadecadiene Ethanone, 1-(1a,2,3,5,6a,6b- hexahydro-3,3,6a- 17 17.7218 2.58 C13H18O3 trimethyloxireno[g]benzofuran-5- yl)- 4-(1,5-Dihydroxy-2,6,6- C H O 18 18.2116 1.16 13 20 3 trimethylcyclohex-2-enyl) but-3- en-2-one C H Cl Octadecane, 1-chloro- 19 18.3664 1.84 18 37 C H 20 20.0878 5.39 12 12 1,3-dimethyl-Naphthalene, 5-Heptenoic acid, 6-methyl-4- 21 21.2871 1.453 C15H20O4S [(4-methylphenyl) sulfonyl] C H Cl Octadecane, 1-chloro- 22 22.1838 4.7 18 37 C H 23 23.3542 6.3 13 14 1,4,5-trimethyl-Naphthalene, C H 1,6,7-trimethyl-Naphthalene, 24 23.7755 6.12 13 14 C H 3-(2-Methyl-propenyl)-1H- 25 24.7839 0.239 13 14 indene C H Naphthalene,1-ethyl-2- 26 24.9748 7.73 13 14 methyl- C H 27 27.3444 0.31 14 16 Benzene, (4,5,5-trimethyl-1,3- 3 cyclopentadien-1-yl)- Pentadecane, 2,6,10,14- 28 27.9962 3.19 C19H40 tetramethyl- 1,4,5,8- 29 29.0406 3.19 C14H16 Tetramethylnaphthalene Furan, 2-(9,10-dihydro-9- 30 30.5027 1.75 C18H18O anthracenyl) tetrahydro- C H 31 31.385 0.626 16 18 1,1'-Biphenyl, 3,4-diethyl- Azulene, 1,4-dimethyl-7-(1- 32 32.8363 0.658 C15H18 methylethyl)- C H Heptadecane, 9-hexyl- 33 33.0308 0.704 23 48 C H O 34 33.5386 0.012 15 14 2-benzyl-3-phenyloxirane 1H- C H 35 33.9383 0.287 15 12 Cyclopropa[l]phenanthrene,1a,9b- dihydro- C H 36 34.0824 2.17 15 12 1-Phenylindene C H 37 36.6539 1.002 16 14 9,10-Dimethylanthracene 4 Table S3. Compounds identified by GC-MS for the extract obtained by the MAE method. RC（% Peak time Formula Name ） C Cl 1 8.8863 11.77 2 6 Hexachloroethane C H O 2 13.497 0.35 16 26 2 2,5-Di-tert-amylhydroquinone C H 3 15.3901 1.42 22 44 Cyclooctane, tetradecyl- C H O 4 16.2094 1.754 15 24 2 Limonen-6-ol, pivalate Cyclopentane, 1,1,3-trimethyl-3-(2-methyl- 5 16.4415 5.73 C12H22 2-propenyl)- 1,4-Methanoazulene-9-methanol, C H O 6 17.2859 0.697 15 26 decahydro-4,8,8-trimethyl-, [1S-(1. alpha.,3a. beta.,4.alpha.,8a.beta.,9R*)]- 7 Ethanone, 1-(1a,2,3,5,6a,6b-hexahydro- 17.7977 1.49 C13H18O3 3,3,6a-trimethyloxireno[g]benzofuran-5-yl)- C H O 8 19.3524 1.03 17 32 2 7-Methyl-Z-tetradecen-1-ol acetate 4-(1,5-Dihydroxy-2,6,6-trimethylcyclohex- 9 19.9788 0.46 C13H20O3 2-enyl) but-3-en-2-one C H O 10 21.1141 4.4 20 40 2-Methyl-cis-7,8-epoxynonadecane C H O 11 22.4228 0.355 37 76 1-Heptatriacotanol C H O 12 23.1638 0.074 18 36 4 Erythro-9,10-dihydroxyoctadecanoic acid C H 13 24.0167 3.49 13 14 Naphthalene, 1,4,5-trimethyl- C H 14 25 0.099 13 14 3-(2-Methyl-propenyl)-1H-indene C H 15 25.2303 8.93 13 14 Naphthalene, 1,6,7-trimethyl- C H S 16 26.539 0.682 24 50 2 Disulfide, di-tert-dodecyl (4,5,5-trimethyl-1,3-cyclopentadien-1- 17 27.638 1.051 C14H16 yl)-benzene C H 18 28.0826 6.22 19 40 Pentadecane, 2,6,10,14-tetramethyl- C H 19 29.2878 3.92 14 16 1,4,5,8-Tetramethylnaphthalene 4a,10a-Methanophenanthren-9. beta. -ol, 11- 20 30.658 0.37 C15H17BrO syn-bromo-1,2,3,4,4a,9,10,10a-octahydro- C H O 21 30.8062 0.813 20 40 2-Methyl-cis-7,8-epoxynonadecane 5,8,11,14-Eicosatetraynoic acid, methyl 22 31.2844 0.587 C21H26O2 ester 3-bromo-1, 4-dimethoxy-a-methyl-2- 23 31.6647 0.578 C15H17BrO naphthalene ethanol C H 24 32.2603 0.168 16 18 4-butylbiphenyl C H 25 32.8699 1.39 16 18 1, 2-diphenyl ethane C H 26 33.1663 0.679 16 18 1,2-Bis(4-methylphenyl) ethane; 5H-Dibenzo[a,d]cyclohepten-5-ol, 27 34.0752 0.15 C15H14O 10,11-dihydro- 1H-Indene, 2,3-dihydro-2-methoxy-1- 28 34.3883 1.3 C16H16O phenyl-, cis- 2,5-Cyclohexadien-1-one, 3,5-dihydroxy- 29 35.1378 1.313 C13H18O4 4,4-dimethyl-2-(1-oxopentyl)- 5 2α,3α,19,24-Tetrahydroxyurs-12-en-28- 30 35.5684 0.383 C31H50O6 oic acid methyl ester 2,5-Cyclohexadien-1-one, 3,5-dihydroxy- 31 35.876 0.306 C13H18O4 4,4-dimethyl-2-(1-oxopentyl)- C H O 32 36.2563 0.615 22 42 3 Oxiranedodecanoic acid, 3-octyl-, cis- C H 33 37.0169 0.406 16 14 1,3-Diphenyl-3-methylcyclopropene C H 34 37.3385 0.604 16 14 9,10-Dimethylanthracene Hexadecane, 1,1'-[1,2-ethanediylbis(oxy)] 35 37.8391 0.205 C34H70O2 bis- Benz[e]azulene-3,8-dione, 3a,4,6a,7,9,10,10a,10b-octahydro-3a,10a- dihydroxy-5-(hydroxymethyl)-2,10- 36 38.5215 0.152 C17H22O5 dimethyl-, (3a.alpha.,6a.alpha.,10.beta.,10a.beta.,10b.b eta.)-(+)- N-[diethoxy-cyanomethyl]- 37 38.9829 0.15 C23H24N2O4 Dibenzo[a,d]bicyclo[3,2,1]-8-azaoctane C H N O 38 39.4024 0.591 23 24 2 4 Desmethylcarvedilol Benzo[b]dihydropyran, 6-hydroxy-4,4,5,7,8- 39 40.0233 2.302 C14H20O2 pentamethyl- C H 40 40.8846 0.01 18 18 Retene C H O 41 41.4663 0.025 22 30 7 Trichoranin C H O 42 42.1291 0.016 22 30 7 13-O-Acetylphorbol; 3,5-dihydroxy-1-(4'-hydroxy-3',5'- C H O 43 42.8506 0.146 22 30 7 dimethoxyphenyl)-7-(4''-hydroxy-3''- methoxyphenyl) heptane C H 44 44.1538 1.186 26 54 hexacosane 5H-Benzo [5,6] cyclohepta[1,2-b] C H N 45 44.6125 0.35 20 22 2 pyridine, 6,11-dihydro-11-(1-methyl- 4-piperidinylidene)- C H O 46 44.7551 0.843 24 40 4 Hyodeoxycholic acid C H Cl O 47 45.2138 0.137 10 12 2 4 3,6-Dichloro-1,2,4,5-benzenetetramethanol Butanoic acid, 1a,2,5,5a,6,9,10,10a- octahydro-5a-hydroxy-4- (hydroxymethyl)-1,1,7,9-tetramethyl- 6,11-dioxo-1H-2,8a- 48 46.1171 0.591 C24H32O6 methanocyclopenta[a]cyclopropa[e]cy clodecen-5-yl ester, [1aR- (1a.alpha.,2.alpha.,5.beta.,5a.beta.,8a.a lpha.,9.alpha.,10a.alpha.)]- 2,3,23-tri(acetyloxy)- C H O 49 47.1798 0.392 35 54 8 (2alpha,3beta,4alpha)-urs-12-en-28-oic acid C H O 50 47.9796 0.798 24 32 6 Methylprednisolone acetate 3-[(1R,2R,3R,5S)-3,5-Diacetoxy-2-((E)-(S)- C H O 51 48.6032 0.155 25 38 10 3,7-diacetoxy-oct-1-enyl)-cyclopentyl]- propionic acid methyl ester C H O 52 49.0227 0.693 25 38 10 methyl (E), (E)-2,7,7-tricarbomethoxy-13- 6 <(tetrahydro-2H-pyran-2-yl) oxy>-4,11- tridecadienoate 17-Hydroxy-3,11,20-trioxopregn-4-en-21-yl 53 49.8058 0.83 C24H32O6 propionate (1R,3aS,4E,6R,8S,8aR,9S,12aS,13S,13aS)- 5-(Chlormethyl)-13a-hydroxy-1,8a- dimethyl-12-methylen-2-oxo- 54 50.8462 0.2 C28H37ClO11 1,2,3a,6,7,8,8a,9,10,11,12,12a,13,13a- tetradecahydrobenzo[4,5]cyclodeca[1,2- b]furan-6,8,9,13-tetrayl- tetraacetat (11β,16α)-17,21-Dihydroxy-16-methyl- 55 51.5482 0.736 C24H32O6 3,20-dioxopregna-1,4-dien-11-yl acetate (6aR,10aR)-9-Carboxy-6a,7,8,10a- tetrahydro-6,6-dimethyl-3-pentyl-6H- 56 51.8475 0.137 C27H36O10 dibenzo[b,d]pyran-1-yl-D- Glucopyranosiduronic Acid Ergost-22-en-3-ol, (3.