Table S1. Identified metabolites in rats plasma

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Electronic Supplementary Material (ESI) for Molecular BioSystems. This journal is The Royal Society of Chemistry 2015 Table S1. Identified metabolites in rats plasma NO Retention time Metabolites Level of identification metabolic pathway 1 9.923 Cyclopentanecarboxylic acid Monocarboxylic energy metabolism 2 10.394 Propanedioic acid Di-carboxylic energy metabolism 3 10.512 Lactic acid Monocarboxylic energy metabolism 4 10.655 Alanine Amino and Amino acid 5 10.718 3-hydroxybutyrate Hydroxyl energy metabolism 6 11.105 Cystathionine Amino and Amino acid 7 11.356 5-hydroxybutyrate Hydroxyl energy metabolism 8 11.492 4-Hydroxycyclohexylacetic acid Hydroxyl energy metabolism 9 11.481 L-Valine Amino and Amino acid 10 11.744 Glycine Amino and Amino acid 11 12.318 Ethanedioic acid Monocarboxylic Energy 12 12.401 Butanoic acid Monocarboxylic Energy 13 12.464 Ethanamine Other N-compounds 14 12.559 4-Hexenoic acid Di-carboxylic Energy 15 13.206 Benzoic acid Monocarboxylic Energy 16 13.29 d-(+)-glyceric acid Hydroxyl 17 13.374 leucine Amino and Amino acid 18 13.426 4-Hydroxybutyric acid Hydroxyl Carbon metabolism 19 13.499 Gluconic acid 20 13.522 Hexanoic acid Monocarboxylic Energy 21 14.116 Propanedioic acid Monocarboxylic Energy 22 14.168 Isobutyric acid Monocarboxylic Energy 23 14.263 Aspartic acid Amino and Amino acid 24 14.388 Methionnine Amino and Amino acid 25 14.430 1H-Indole-2,3-dione - - 26 14.775 D-Erythro-Pentonic acid 27 14.869 2-Oxiranecarboxylic acid Monocarboxylic 28 14.956 1,3 Propanediol Polyols 29 15.110 1,3-Octanediol Polyols 30 15.423 5-O-Methyl-d-gluconic aciddimethylamide 31 15.497 α-d-galactopyranoside 32 16.072 Cyclohexanecarboxylic acid Monocarboxylic Energy 33 16.124 Methoxyacetic acid Monocarboxylic Energy 34 16.438 glycylglycine Amino and Amino acid 35 16.845 Glycylvaline Amino and Amino acid 36 17.201 Urea Other N-compounds Amino acid 37 17.358 D-Ribonic acid

38 17.421 Methy6-O-1-methylpropyl-á-d-galactopyranoside 39 17.630 2-Aminobutyric acid Other N-compounds Energy 40 17.975 Methoxyacetic acid Monocarboxylic Energy 41 18.424 Internal standard docosanoic - - 42 19.031 α-d-glucopyranoside 43 19.805 3,5-di-tert-Butyl-4-hydroxyphenylpropionic acid Hydroxyl Energy 44 21.241 Methoxyacetic acid, 4-tetradecyl ester Fatty acid methyl ester lipid 45 21.341 α-n-acetyl neuraminic acid 46 21.980 α-dl-lyxopyranose 47 23.611 α-d-glucopyranoside 48 24.165 α-dl-arabinopyranose 49 24.249 Tetradecanoic acid 50 24.312 D-Mannitol 51 24.594 D-glucose 52 24.709 α-d-glucopyranoside, methyl 53 24.793 N-Acetyl glucosamine 54 25.086 Glucitol 55 25.363 Arabinitol 56 26.068 linoleic acid Fatty acid methyl ester 57 27.773 9,12-(Z,Z)-Octadecadienoic acid 58 27.919 Hexadecanoic acid, 59 28.223 (E)-9- Hexadecenoic acid 60 28.693 scyllo-inositol Polyols (Inositol metabolism) 61 29.979 (9E)-9-octadecenoate Fatty acid methyl ester 62 30.575 2-Dodecenedioic acid

63 31.799 11-cis-Octadecenoic acid 64 31.956 9,12-Octadecadienoic acid (Z,Z)- 65 32.060 Hexadecanoic acid 66 33.688 9,12,15-Octadecatrienoic acid 67 33.134 oleic acid Long chain monocarboxylic 68 34.894 arachidonate Fatty acid methyl ester 69 36.870 3-Hydroxyspirost-8-en-11-one Sterols 70 39.209 Docosahexaenoic Acid 71 40.269 9-Octadecenoic acid (Z)-, methyl ester 72 42.230 Cholesterol Sterols (Sterol/Steroid) Table S2 Identified metabolites in liver tissue homogenate NO Retention time Metabolites Level of identification metabolic pathway 1 9.805 Cyclopentanecarboxylic acid Monocarboxylic Energy 2 10.352 leucine Amino and Amino 3 10.456 isoleucine Amino and Amino 4 10.508 Alanine Amino and Amino 5 10.624 lactic acid Di-carboxylic Energy 6 11.063 Cystathionine Amino and Amino 7 11.46 d-(+)-glyceric acid Hydroxyl Energy 8 11.523 Propanoic acid Monocarboxylic Energy 9 12.304 Hexanoic acid Monocarboxylic Energy 10 12.476 Ethanedioic acid Monocarboxylic Energy 11 12.757 α-d-galactopyranoside 12 13.2 Propanoic acid Monocarboxylic Energy 13 13.416 Benzenepropanoic acid Monocarboxylic Energy 14 13.520 Threonic acid 15 14.021 Glycine Amino and Amino 16 14.095 2-Hydroxybutyric acid Hydroxyl Energy 17 14.252 à-d-galactopyranoside 18 14.419 5-O-Methyl-d-gluconic acid 19 14.764 2H-Oxireno[3,4]cyclopenta[1,2-c]furan-2-one unknow unknow 20 14.859 d-(+)-glyceric acid Glyceric acid 21 14.953 1,2,4-Butanetriol Polyols 22 15.099 2-Oxiranecarboxylic acid Monocarboxylic

23 15.350 Cystathionine Amino and Amino and 24 15.413 Glycerol Polyols 25 15.486 2,2-Dimethyl-1-pentamethyldisilanyloxypropane - - 26 15.580 α-d-galactopyranoside s 27 15.810 d-(+)-glyceric acid Monocarboxylic s 28 16.072 1,3-Octanediol Polyols s 29 16.113 Cyclopentene alkyls - 30 16.208 α-d-galactopyranoside s 31 16.400 2-Ethyl-3-hydroxypropionic acid Hydroxyl Energy 30 16.845 Adipic acid Di-carboxylic Energy 31 16.615 Proline Amino and Amino 32 16.730 1,3 Propanediol Polyols 33 16.887 Adipic acid Di-carboxylic 34 17.138 serine Amino and Amino 35 17.264 α-d-galactopyranoside s 36 17.431 Benzeneacetic acid Monocarboxylic Energy 37 17.964 1-Tetradecanol Long chain alcohols 38 17.431 Benzeneacetic acid Monocarboxylic Energy 39 17.964 1-Tetradecanol Long chain alcohols 40 18.06 Arabinitol s 41 18.187 á-n-acetylneuraminic acid s 42 18.356 Glutamic acid Amino and Amino 43 18.435 internal standard - - 44 18.487 1-Propanol alcohol 45 19.100 Butanedioic acid 46 19.309 α-d-galactopyranoside Di-carboxylic 47 19.731 Cyclohexanecarboxylic acid Monocarboxylic Monocarboxylic 48 19.745 Malic acid Di-carboxylic Energy 49 19.904 Erythro-Pentitol 50 20.28 1-Pentadecanol Long chain alcohols 51 21.331 N-Acetyl glucosamine 52 21.908 Ribonic acid 53 24.144 2-Keto-l-gluconic acid 54 24.552 D-Glucose 55 24.78 mannose 56 25.085 Galactose 57 25.451 à-d-glucopyranoside 58 25.7 Glucopyranose 59 26.079 á-n-acetylneuraminic acid, 60 27.909 Hexadecanoic acid Fatty acid methyl ester 61 28.672 Inositol Polyols 60 29.21 1-Monolinoleoylglycerol Fatty acid methyl ester

61 29.488 9,12,15-Octadecatrienoic acid 62 29.979 (9Z,12Z)-9,12-Octadecadienoic acid 63 30.010 (E)-9-Octadecenoic acid 64 31.841 oleic acid 65 32.01 Octadecanoic acid 66 34.120 9,12-Octadecadienoic acid, methyl ester Fatty acid methyl ester 67 39.104 Unknown - - 68 39.200 Methyl (9E,12E,15E)-9,12,15-octadecatrienoate Fatty acid methyl ester 69 40.209 arachidonate 70 42.230 Cholesterol Sterols Table S3 Identified metabolites in rats lung NO Retention time Metabolites Level of identification metabolic pathway 1 9.703 Lactic acid Monocarboxylic Energy 2 10.226 L-Alanine Amino and Amino 3 10.519 1,2,4-Butanetriol Polyols Krebs cycle 4 11.073 3-Hydroxybutyric acid Hydroxyl Energy 5 11.345 d-(+)-glyceric acid 6 11.723 Pentanoic acid Monocarboxylic Energy 7 12.359 Ethanedioic acid Monocarboxylic Energy 8 12.598 Hexanoic acid Monocarboxylic Energy 9 13.196 Propanoic acid Monocarboxylic Energy 10 13.604 Benzenepropanoic acid Monocarboxylic Energy 11 14.085 Cystathionine Amino and Amino 12 14.116 4-Methyl- pentanoic acid Monocarboxylic Energy 13 14.179 D-Valine Amino and Amino 14 14.869 2-Methylsuccinic acid Di-carboxylic Energy 15 15.047 5-O-Methyl-d-gluconic acid s 16 15.110 l-felinine Amino and Amino acid 17 15.360 Cystathionine Amino and Amino acid 18 15.434 Glycerol Polyols 19 15.591 Malonic acid Di-carboxylic Energy 20 15.801 2-Methylsuccinic acid Di-carboxylic Krebs cycle 21 15.957 Glutaric acid Di-carboxylic Energy 22 16.072 Trans-trans-Muconic acid Di-carboxylic Energy 23 16.124 Cyclopentene alkyls Energy 24 16.218 2-Ethyl-3-hydroxypropionic acid Hydroxyl Energy

25 16.438 Glycerol- 3-phosphate Polyols 26 16.626 Proline Amino and Amino acid 27 16.845 Adipic acid Di-carboxylic Energy 28 16.943 serine Amino and Amino acid 29 17.432 Butanedioic acid Di-carboxylic Energy 30 17.734 malic acid Di-carboxylic Energy 31 17.975 Benzeneacetic acid Di-carboxylic Energy 32 18.320 Glutamic acid Amino and Amino acid 33 18.435 Internal standard docosanoic - - 34 18.487 α-d-glucopyranoside 35 19.034 α-d-galactopyranoside 36 19.261 Butanedioic acid Di-carboxylic Energy 37 19.731 Malic acid Di-carboxylic Energy 38 21.007 5-Hydroxyhexanoic acid Hydroxyl Energy 39 21.167 Hexanedioic acid Di-carboxylic Energy 40 21.321 α-d-galactopyranose 41 21.934 Ribonic acid 42 22.643 Ribitol 43 23.678 D-Ribo-Hexitol 44 23.987 4- hydroxybenzene propanoic acid Hydroxyl Energy 45 24.167 2-Keto-l-gluconic acid 46 24.268 D-Mannitol 47 24.587 glucose 48 24.769 mannose 49 25.096 Galactose 50 25.267 Galactaric acid 51 25.472 linoleic acid Fatty acid ester 52 26.068 Tetradecanoic acid 53 26.905 1-Octadecanol Long chain alcohols 54 27.104 Unkonw - - 55 27.804 (9E)-9-octadecenoate Fatty acid ester 56 28.703 Hexadecanoic acid 57 29.854 (9Z,12Z)-9,12-Octadecadienoic acid 58 30.011 (E)-9-Octadecenoic acid 59 30.747 9,12,15-Octadecatrienoic acid 60 31.803 oleic acid 61 32.07 11-cis-Octadecenoic acid (Long chain (Long chain (Long chain (Long chain (Long chain (Long chain 62 39.104 Unknown - -

63 39.234 Docosahexaenoic Acid (Long chain 64 39.502 Methyl cis-9-octadecenoate Fatty acid ester 65 40.215 arachidonate 66 42.109 Cholesterol t Sterols (Long chain (Sterol/Steroid) Table S4. Pathways associated with the inflammation 201 FDR features at (q=0.05) identified using the MetScape plugin in Cytoscape Arachidonic acid metabolism Bile acid biosynthesis Butanoate metabolism De novo fatty acid biosynthesis Di-unsaturated fatty acid beta-oxidation Fructose and mannose metabolism Galactose metabolism Glycerophospholipid metabolism Glycine, serine, alanine and threonine metabolism Glycolysis and Gluconeogenesis Glycosphingolipid metabolism Histidine metabolism Leukotriene metabolism Linoleate metabolism Lysine metabolism Omega-3 fatty acid metabolism Omega-6 fatty acid metabolism Pentose phosphate pathway Phosphatidylinositol phosphate metabolism Phytanic acid peroxisomal oxidation Porphyrin metabolism Propanoate metabolism Prostaglandin formation from arachidonate Purine metabolism Saturated fatty beta-oxidation TCA cycle Urea cycle and metabolism of arginine, proline, glutamate, aspartate and asparagine Valine, leucine and isoleucine degradation Vitamin B9 (folate) metabolism

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