#METABOLOMICS WORKBENCH hwatanabe0207_20230214_145013 DATATRACK_ID:3741 STUDY_ID:ST002479 ANALYSIS_ID:AN004079 PROJECT_ID:PR001599 VERSION 1 CREATED_ON February 16, 2023, 7:40 am #PROJECT PR:PROJECT_TITLE High body temperature increases gut microbiota-dependent host resistance to PR:PROJECT_TITLE influenza A virus and SARS-CoV-2 infection PR:PROJECT_SUMMARY While a common symptom of influenza and coronavirus disease 2019 (COVID-19) is PR:PROJECT_SUMMARY fever, its physiological role on host resistance to viral infection remains less PR:PROJECT_SUMMARY clear. Here, we demonstrate that exposure of mice to the high ambient PR:PROJECT_SUMMARY temperature of 36 °C increase host resistance to viral pathogens including PR:PROJECT_SUMMARY influenza virus and severe acute respiratory syndrome coronavirus 2 PR:PROJECT_SUMMARY (SARS-CoV-2). High heat-exposed mice increase basal body temperature over 38 °C PR:PROJECT_SUMMARY to enable more bile acids production in a gut microbiota-dependent manner. The PR:PROJECT_SUMMARY gut microbiota-derived deoxycholic acid (DCA) and its plasma membrane-bound PR:PROJECT_SUMMARY receptor Takeda G-protein-coupled receptor 5 (TGR5) signaling increase host PR:PROJECT_SUMMARY resistance to influenza virus infection by suppressing virus replication and PR:PROJECT_SUMMARY neutrophil-dependent tissue damage. Furthermore, the DCA and its nuclear PR:PROJECT_SUMMARY farnesoid X receptor (FXR) agonist protect Syrian hamster from lethal SARS-CoV-2 PR:PROJECT_SUMMARY infection. Moreover, we demonstrate that certain bile acids are reduced in the PR:PROJECT_SUMMARY plasma of COVID-19 patients who developed moderate I/II disease compared with PR:PROJECT_SUMMARY minor illness group. These findings uncover an unexpected mechanism by which PR:PROJECT_SUMMARY virus-induced high fever increases host resistance to influenza virus and PR:PROJECT_SUMMARY SARS-CoV-2 in a gut microbiota-dependent manner. PR:INSTITUTE Keio University PR:LAST_NAME Fukuda PR:FIRST_NAME Shinji PR:ADDRESS Kakuganji 246-2, Mizukami, Tsuruoka City Yamagata,Japan PR:EMAIL sfukuda@sfc.keio.ac.jp PR:PHONE +81-235-29-800 #STUDY ST:STUDY_TITLE High body temperature increases gut microbiota-dependent host resistance to ST:STUDY_TITLE influenza A virus and SARS-CoV-2 infection (Hamster) ST:STUDY_SUMMARY While a common symptom of influenza and coronavirus disease 2019 (COVID-19) is ST:STUDY_SUMMARY fever, its physiological role on host resistance to viral infection remains less ST:STUDY_SUMMARY clear. Here, we demonstrate that exposure of mice to the high ambient ST:STUDY_SUMMARY temperature of 36 °C increase host resistance to viral pathogens including ST:STUDY_SUMMARY influenza virus and severe acute respiratory syndrome coronavirus 2 ST:STUDY_SUMMARY (SARS-CoV-2). High heat-exposed mice increase basal body temperature over 38 °C ST:STUDY_SUMMARY to enable more bile acids production in a gut microbiota-dependent manner. The ST:STUDY_SUMMARY gut microbiota-derived deoxycholic acid (DCA) and its plasma membrane-bound ST:STUDY_SUMMARY receptor Takeda G-protein-coupled receptor 5 (TGR5) signaling increase host ST:STUDY_SUMMARY resistance to influenza virus infection by suppressing virus replication and ST:STUDY_SUMMARY neutrophil-dependent tissue damage. Furthermore, the DCA and its nuclear ST:STUDY_SUMMARY farnesoid X receptor (FXR) agonist protect Syrian hamster from lethal SARS-CoV-2 ST:STUDY_SUMMARY infection. Moreover, we demonstrate that certain bile acids are reduced in the ST:STUDY_SUMMARY plasma of COVID-19 patients who developed moderate I/II disease compared with ST:STUDY_SUMMARY minor illness group. These findings uncover an unexpected mechanism by which ST:STUDY_SUMMARY virus-induced high fever increases host resistance to influenza virus and ST:STUDY_SUMMARY SARS-CoV-2 in a gut microbiota-dependent manner. ST:INSTITUTE Keio University ST:LAST_NAME Fukuda ST:FIRST_NAME Shinji ST:ADDRESS Kakuganji 246-2, Mizukami, Tsuruoka City Yamagata,Japan ST:EMAIL sfukuda@sfc.keio.ac.jp ST:PHONE +81-235-29-800 #SUBJECT SU:SUBJECT_TYPE Mammal SU:SUBJECT_SPECIES Mesocricetus Auratus #SUBJECT_SAMPLE_FACTORS: SUBJECT(optional)[tab]SAMPLE[tab]FACTORS(NAME:VALUE pairs separated by |)[tab]Raw file names and additional sample data SUBJECT_SAMPLE_FACTORS - 1 Temperature:4 ℃ for 7 d species=Hamster; strain/country=Syrian hamster; genotype=WT; age=5w; sex=female; sample_type=cecal contents; diet=CA-1; RAW_FILE_NAME=230_cation/1.d 230_anion/1.d SUBJECT_SAMPLE_FACTORS - 2 Temperature:4 ℃ for 7 d species=Hamster; strain/country=Syrian hamster; genotype=WT; age=5w; sex=female; sample_type=cecal contents; diet=CA-1; RAW_FILE_NAME=230_cation/2.d 230_anion/2.d SUBJECT_SAMPLE_FACTORS - 3 Temperature:4 ℃ for 7 d species=Hamster; strain/country=Syrian hamster; genotype=WT; age=5w; sex=female; sample_type=cecal contents; diet=CA-1; RAW_FILE_NAME=230_cation/3.d 230_anion/3.d SUBJECT_SAMPLE_FACTORS - 4 Temperature:4 ℃ for 7 d species=Hamster; strain/country=Syrian hamster; genotype=WT; age=5w; sex=female; sample_type=cecal contents; diet=CA-1; RAW_FILE_NAME=230_cation/4.d 230_anion/4.d SUBJECT_SAMPLE_FACTORS - 5 Temperature:4 ℃ for 7 d species=Hamster; strain/country=Syrian hamster; genotype=WT; age=5w; sex=female; sample_type=cecal contents; diet=CA-1; RAW_FILE_NAME=230_cation/5.d 230_anion/5.d SUBJECT_SAMPLE_FACTORS - 6 Temperature:4 ℃ for 7 d species=Hamster; strain/country=Syrian hamster; genotype=WT; age=5w; sex=female; sample_type=cecal contents; diet=CA-1; RAW_FILE_NAME=230_cation/6.d 230_anion/6.d SUBJECT_SAMPLE_FACTORS - 7 Temperature:4 ℃ for 7 d species=Hamster; strain/country=Syrian hamster; genotype=WT; age=5w; sex=female; sample_type=cecal contents; diet=CA-1; RAW_FILE_NAME=230_cation/7.d 230_anion/7.d SUBJECT_SAMPLE_FACTORS - 8 Temperature:4 ℃ for 7 d species=Hamster; strain/country=Syrian hamster; genotype=WT; age=5w; sex=female; sample_type=cecal contents; diet=CA-1; RAW_FILE_NAME=230_cation/8.d 230_anion/8.d SUBJECT_SAMPLE_FACTORS - 9 Temperature:4 ℃ for 7 d species=Hamster; strain/country=Syrian hamster; genotype=WT; age=5w; sex=female; sample_type=cecal contents; diet=CA-1; RAW_FILE_NAME=230_cation/9.d 230_anion/9.d SUBJECT_SAMPLE_FACTORS - 10 Temperature:4 ℃ for 7 d species=Hamster; strain/country=Syrian hamster; genotype=WT; age=5w; sex=female; sample_type=cecal contents; diet=CA-1; RAW_FILE_NAME=230_cation/10.d 230_anion/10.d SUBJECT_SAMPLE_FACTORS - 11 Temperature:22 ℃ for 7 d species=Hamster; strain/country=Syrian hamster; genotype=WT; age=5w; sex=female; sample_type=cecal contents; diet=CA-1; RAW_FILE_NAME=230_cation/11.d 230_anion/11.d SUBJECT_SAMPLE_FACTORS - 12 Temperature:22 ℃ for 7 d species=Hamster; strain/country=Syrian hamster; genotype=WT; age=5w; sex=female; sample_type=cecal contents; diet=CA-1; RAW_FILE_NAME=230_cation/12.d 230_anion/12.d SUBJECT_SAMPLE_FACTORS - 13 Temperature:22 ℃ for 7 d species=Hamster; strain/country=Syrian hamster; genotype=WT; age=5w; sex=female; sample_type=cecal contents; diet=CA-1; RAW_FILE_NAME=230_cation/13.d 230_anion/13.d SUBJECT_SAMPLE_FACTORS - 14 Temperature:22 ℃ for 7 d species=Hamster; strain/country=Syrian hamster; genotype=WT; age=5w; sex=female; sample_type=cecal contents; diet=CA-1; RAW_FILE_NAME=230_cation/14.d 230_anion/14.d SUBJECT_SAMPLE_FACTORS - 15 Temperature:22 ℃ for 7 d species=Hamster; strain/country=Syrian hamster; genotype=WT; age=5w; sex=female; sample_type=cecal contents; diet=CA-1; RAW_FILE_NAME=230_cation/15.d 230_anion/15.d SUBJECT_SAMPLE_FACTORS - 16 Temperature:22 ℃ for 7 d species=Hamster; strain/country=Syrian hamster; genotype=WT; age=5w; sex=female; sample_type=cecal contents; diet=CA-1; RAW_FILE_NAME=230_cation/16.d 230_anion/16.d SUBJECT_SAMPLE_FACTORS - 17 Temperature:22 ℃ for 7 d species=Hamster; strain/country=Syrian hamster; genotype=WT; age=5w; sex=female; sample_type=cecal contents; diet=CA-1; RAW_FILE_NAME=230_cation/17.d 230_anion/17.d SUBJECT_SAMPLE_FACTORS - 18 Temperature:22 ℃ for 7 d species=Hamster; strain/country=Syrian hamster; genotype=WT; age=5w; sex=female; sample_type=cecal contents; diet=CA-1; RAW_FILE_NAME=230_cation/18.d 230_anion/18.d SUBJECT_SAMPLE_FACTORS - 19 Temperature:22 ℃ for 7 d species=Hamster; strain/country=Syrian hamster; genotype=WT; age=5w; sex=female; sample_type=cecal contents; diet=CA-1; RAW_FILE_NAME=230_cation/19.d 230_anion/19.d SUBJECT_SAMPLE_FACTORS - 20 Temperature:22 ℃ for 7 d species=Hamster; strain/country=Syrian hamster; genotype=WT; age=5w; sex=female; sample_type=cecal contents; diet=CA-1; RAW_FILE_NAME=230_cation/20.d 230_anion/20.d #COLLECTION CO:COLLECTION_SUMMARY Cecal contents were obtained by dissection. CO:SAMPLE_TYPE cecal contents #TREATMENT TR:TREATMENT_SUMMARY NA #SAMPLEPREP SP:SAMPLEPREP_SUMMARY Cecal metabolites were extracted by vigorous shaking with methanol containing SP:SAMPLEPREP_SUMMARY methionine sulfone and D-camphol-10-sulfonic acid as the internal standards. #CHROMATOGRAPHY CH:CHROMATOGRAPHY_TYPE CE CH:INSTRUMENT_NAME Agilent CE CH:COLUMN_NAME Fused-silica, i.d. 50 µm(cation) CH:SOLVENT_A none CH:SOLVENT_B none CH:FLOW_GRADIENT none CH:FLOW_RATE none CH:COLUMN_TEMPERATURE none #ANALYSIS AN:ANALYSIS_TYPE MS #MS MS:INSTRUMENT_NAME Agilent CE-TOFMS MS:INSTRUMENT_TYPE Other MS:MS_TYPE ESI MS:ION_MODE POSITIVE MS:MS_COMMENTS In-house software (MasterHands) was used for peak area integration and MS:MS_COMMENTS annotation. #MS_METABOLITE_DATA MS_METABOLITE_DATA:UNITS nmol/g MS_METABOLITE_DATA_START Samples 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 Factors Temperature:4 ℃ for 7 d Temperature:4 ℃ for 7 d Temperature:4 ℃ for 7 d Temperature:4 ℃ for 7 d Temperature:4 ℃ for 7 d Temperature:4 ℃ for 7 d Temperature:4 ℃ for 7 d Temperature:4 ℃ for 7 d Temperature:4 ℃ for 7 d Temperature:4 ℃ for 7 d Temperature:22 ℃ for 7 d Temperature:22 ℃ for 7 d Temperature:22 ℃ for 7 d Temperature:22 ℃ for 7 d Temperature:22 ℃ for 7 d Temperature:22 ℃ for 7 d Temperature:22 ℃ for 7 d Temperature:22 ℃ for 7 d Temperature:22 ℃ for 7 d Temperature:22 ℃ for 7 d Acetylcholine N.D. N.D. N.D. N.D. N.D. N.D. N.D. N.D. N.D. N.D. N.D. N.D. N.D. N.D. N.D. N.D. N.D. N.D. N.D. N.D. Adenine 84 123 103 67 68 106 68 58 77 67 76 84 57 67 53 81 85 164 77 108 Adenosine 70 82 138 106 111 70 113 172 154 186 106 140 164 170 192 177 140 59 135 166 ADMA 19 24 20 22 21 21 18 22 22 N.D. 21 26 26 15 25 19 23 16 15 17 Agmatine N.D. N.D. N.D. N.D. N.D. N.D. N.D. N.D. N.D. N.D. N.D. N.D. N.D. N.D. N.D. N.D. N.D. N.D. N.D. N.D. AICAR N.D. N.D. N.D. N.D. N.D. N.D. N.D. N.D. N.D. N.D. N.D. N.D. N.D. N.D. N.D. N.D. N.D. N.D. N.D. N.D. Ala 2121 2637 2526 3000 3400 2397 2485 2622 2388 2324 2090 2338 2149 2256 1912 2034 1975 1819 2009 1885 Ala-Ala 73 91 75 91 112 104 93 72 59 61 74 73 77 101 63 99 70 119 63 66 Allantoin 302 366 328 236 288 259 278 298 285 290 224 333 262 348 374 244 363 293 292 282 Alliin N.D. N.D. N.D. N.D. N.D. N.D. N.D. N.D. N.D. N.D. N.D. N.D. N.D. N.D. N.D. N.D. N.D. N.D. N.D. N.D. alpha-Aminoadipate N.D. 41 36 32 45 41 38 49 34 43 14 38 26 24 32 33 24 N.D. 22 32 alpha-Methylbenzylamine N.D. N.D. N.D. N.D. N.D. N.D. N.D. N.D. N.D. N.D. N.D. N.D. N.D. N.D. N.D. N.D. N.D. N.D. N.D. N.D. Alpha-Methylserine 8 9 N.D. 8 13 13 N.D. 11 N.D. 11 N.D. N.D. N.D. N.D. 12 10 12 N.D. N.D. N.D. Amantadine N.D. N.D. N.D. N.D. N.D. N.D. N.D. N.D. N.D. N.D. N.D. N.D. N.D. N.D. N.D. N.D. N.D. N.D. N.D. N.D. Aniline N.D. N.D. N.D. N.D. N.D. N.D. N.D. N.D. N.D. N.D. N.D. N.D. N.D. N.D. N.D. N.D. N.D. N.D. N.D. N.D. Anserine 12 11 11 12 11 12 132 15 16 205 14 14 19 12 11 12 12 13 14 12 Anthranilate N.D. N.D. N.D. N.D. N.D. N.D. N.D. N.D. N.D. N.D. N.D. N.D. N.D. N.D. N.D. N.D. N.D. N.D. N.D. N.D. Arg 313 348 363 356 402 389 424 406 399 378 358 367 351 386 375 375 318 519 277 265 Arginine ethyl ester N.D. N.D. N.D. N.D. N.D. N.D. N.D. N.D. N.D. N.D. N.D. N.D. N.D. N.D. N.D. N.D. N.D. N.D. N.D. N.D. Argininosuccinate 59 67 69 71 67 53 57 80 65 77 75 76 86 64 58 51 64 46 59 60 Asn 142 122 211 202 147 191 197 239 155 247 229 224 251 252 245 253 184 123 197 158 Asp 21044 14696 18548 15542 18448 14949 12615 11743 12610 9455 30751 19122 20725 23149 13067 22569 15057 26672 15544 15637 Benzamide N.D. N.D. N.D. N.D. N.D. N.D. N.D. N.D. N.D. N.D. N.D. N.D. N.D. N.D. N.D. N.D. N.D. N.D. N.D. N.D. Benzamidine N.D. N.D. N.D. N.D. N.D. N.D. N.D. N.D. N.D. N.D. N.D. N.D. N.D. N.D. N.D. N.D. N.D. N.D. N.D. N.D. Benzimidazole N.D. N.D. N.D. N.D. N.D. N.D. N.D. N.D. N.D. N.D. N.D. N.D. N.D. N.D. N.D. N.D. N.D. N.D. N.D. N.D. beta-Ala 99 140 131 139 165 163 162 125 140 118 95 115 107 124 124 130 119 121 97 100 beta-Ala-Lys N.D. N.D. N.D. N.D. N.D. N.D. N.D. N.D. N.D. N.D. N.D. N.D. N.D. N.D. N.D. N.D. N.D. N.D. N.D. N.D. beta-Cyanoalanine N.D. N.D. N.D. N.D. N.D. N.D. N.D. N.D. N.D. N.D. N.D. N.D. N.D. N.D. N.D. N.D. N.D. N.D. N.D. N.D. beta-Imidazolelactate N.D. N.D. N.D. N.D. N.D. N.D. N.D. N.D. N.D. N.D. N.D. N.D. N.D. N.D. N.D. N.D. N.D. N.D. N.D. N.D. Betaine 58 71 115 173 143 92 88 117 106 81 60 86 88 72 73 81 68 56 92 78 Betaine aldehyde N.D. 94 N.D. N.D. 119 86 116 76 N.D. N.D. 95 N.D. N.D. 85 92 93 93 N.D. 80 101 beta-Leucine N.D. N.D. N.D. N.D. N.D. N.D. N.D. N.D. N.D. N.D. N.D. N.D. N.D. N.D. N.D. N.D. N.D. N.D. N.D. N.D. Betonicine N.D. N.D. N.D. N.D. N.D. N.D. N.D. N.D. N.D. N.D. N.D. N.D. N.D. N.D. N.D. N.D. N.D. N.D. N.D. N.D. Bis(3-aminopropyl)amine N.D. N.D. N.D. N.D. N.D. N.D. N.D. N.D. N.D. N.D. N.D. N.D. N.D. N.D. N.D. N.D. N.D. N.D. N.D. N.D. Cadaverine 11 21 N.D. N.D. 6 10 N.D. N.D. 8 N.D. 8 6 N.D. N.D. N.D. N.D. 8 10 9 7 Canavanine N.D. N.D. N.D. N.D. N.D. N.D. N.D. N.D. N.D. N.D. N.D. N.D. N.D. N.D. N.D. N.D. N.D. N.D. N.D. N.D. Carnitine 6 N.D. 12 17 15 9 10 N.D. 7 6 N.D. N.D. N.D. 5 N.D. 6 6 N.D. 7 6 Carnosine N.D. N.D. N.D. N.D. N.D. N.D. N.D. N.D. N.D. N.D. N.D. N.D. N.D. N.D. N.D. N.D. N.D. N.D. N.D. N.D. Castanospermine N.D. N.D. N.D. N.D. N.D. N.D. N.D. N.D. N.D. N.D. N.D. N.D. N.D. N.D. N.D. N.D. N.D. N.D. N.D. N.D. Choline 146 108 183 240 256 186 191 107 166 159 124 112 112 150 113 166 157 119 143 139 Citrulline 433 422 303 423 372 349 319 239 309 263 741 525 549 595 254 355 346 519 577 502 Creatine 152 80 349 539 383 188 159 102 236 312 87 82 86 144 106 114 156 74 569 81 Creatinine 14 11 13 13 17 12 13 12 13 14 13 12 14 15 12 13 15 18 33 15 Cyanocobalamin N.D. N.D. N.D. N.D. N.D. N.D. N.D. N.D. N.D. N.D. N.D. N.D. N.D. N.D. N.D. N.D. N.D. N.D. N.D. N.D. Cyclohexylamine N.D. N.D. N.D. N.D. N.D. N.D. N.D. N.D. N.D. N.D. N.D. N.D. N.D. N.D. N.D. N.D. N.D. N.D. N.D. N.D. Cys N.D. N.D. N.D. N.D. N.D. N.D. N.D. N.D. N.D. N.D. N.D. N.D. N.D. N.D. N.D. N.D. N.D. N.D. N.D. N.D. Cys-Gly N.D. N.D. N.D. N.D. N.D. N.D. N.D. N.D. N.D. N.D. N.D. N.D. N.D. N.D. N.D. N.D. N.D. N.D. N.D. N.D. Cystathionine N.D. N.D. N.D. N.D. N.D. N.D. N.D. N.D. N.D. N.D. N.D. N.D. N.D. N.D. N.D. N.D. N.D. N.D. N.D. N.D. Cysteamine N.D. N.D. N.D. N.D. N.D. N.D. N.D. N.D. N.D. N.D. N.D. N.D. N.D. N.D. N.D. N.D. N.D. N.D. N.D. N.D. Cystine N.D. N.D. N.D. N.D. N.D. N.D. N.D. N.D. N.D. N.D. N.D. N.D. N.D. N.D. N.D. N.D. N.D. N.D. N.D. N.D. Cytidine 22 24 29 29 24 33 31 34 32 31 N.D. 32 25 28 25 29 22 27 30 30 Cytosine 11 12 7 N.D. N.D. 8 N.D. 6 9 N.D. 10 7 N.D. 9 N.D. 8 N.D. 11 8 N.D. Desthiobiotin N.D. N.D. N.D. N.D. N.D. N.D. N.D. N.D. N.D. N.D. N.D. N.D. N.D. N.D. N.D. N.D. N.D. N.D. N.D. N.D. Diethanolamine N.D. N.D. N.D. N.D. 12 N.D. N.D. N.D. N.D. 5 10 28 N.D. 15 N.D. 23 27 N.D. 7 N.D. Dihydrouracil N.D. N.D. N.D. N.D. N.D. N.D. N.D. N.D. N.D. N.D. N.D. N.D. N.D. N.D. N.D. N.D. N.D. N.D. N.D. N.D. DOPA N.D. N.D. N.D. N.D. N.D. N.D. N.D. N.D. N.D. N.D. N.D. N.D. N.D. N.D. N.D. N.D. N.D. N.D. N.D. N.D. Dopamine N.D. N.D. N.D. N.D. N.D. N.D. N.D. N.D. N.D. N.D. N.D. N.D. N.D. N.D. N.D. N.D. N.D. N.D. N.D. N.D. Ectoine N.D. N.D. N.D. N.D. N.D. N.D. N.D. N.D. 8 N.D. N.D. N.D. 8 N.D. N.D. N.D. N.D. N.D. N.D. N.D. Epinephrine N.D. N.D. N.D. N.D. N.D. N.D. N.D. N.D. N.D. N.D. N.D. N.D. N.D. N.D. N.D. N.D. N.D. N.D. N.D. N.D. Ethanolamine phosphate N.D. N.D. N.D. N.D. N.D. N.D. N.D. N.D. N.D. N.D. N.D. N.D. N.D. N.D. N.D. N.D. N.D. N.D. N.D. N.D. GABA 345 524 235 376 285 291 221 237 245 231 256 303 361 364 291 406 267 273 194 227 gamma-Butyrobetaine 57 27 23 38 35 58 13 40 16 24 14 6 7 23 15 43 23 30 9 27 gamma-Glu-cys N.D. N.D. N.D. N.D. N.D. N.D. N.D. N.D. N.D. N.D. N.D. N.D. N.D. N.D. N.D. N.D. N.D. N.D. N.D. N.D. gamma-Guanidinobutyrate 15 9 9 10 10 14 9 9 10 7 15 12 11 11 9 15 11 22 12 13 Gln 980 1828 1507 2009 2093 1805 2389 1848 1562 1676 1370 1427 1276 1449 1250 1394 1347 1077 1208 1322 Glu 40427 48219 46120 50820 53921 53176 44237 32582 28072 29046 43415 40691 38209 55705 33843 57644 42650 54702 29091 38591 Glucosaminate N.D. N.D. N.D. N.D. N.D. N.D. N.D. N.D. N.D. N.D. N.D. N.D. N.D. N.D. N.D. N.D. N.D. N.D. N.D. N.D. Glucosamine N.D. N.D. N.D. N.D. N.D. N.D. N.D. N.D. N.D. N.D. N.D. N.D. N.D. N.D. N.D. N.D. N.D. N.D. N.D. N.D. Glu-Glu N.D. N.D. N.D. N.D. N.D. N.D. N.D. N.D. N.D. N.D. N.D. N.D. N.D. N.D. N.D. N.D. N.D. N.D. N.D. N.D. Glutathione(ox) N.D. N.D. N.D. N.D. N.D. N.D. N.D. N.D. N.D. N.D. N.D. N.D. N.D. N.D. N.D. N.D. N.D. N.D. N.D. N.D. Glutathione(red) N.D. N.D. N.D. N.D. N.D. N.D. N.D. N.D. N.D. N.D. N.D. N.D. N.D. N.D. N.D. N.D. N.D. N.D. N.D. N.D. Gly 1477 1347 1450 1565 1555 1533 1307 1181 1385 1218 1576 1689 1627 1563 1399 1974 1449 1510 1295 1264 Glycerophosphorylcholine N.D. N.D. N.D. N.D. N.D. N.D. N.D. N.D. N.D. N.D. N.D. N.D. N.D. N.D. N.D. N.D. N.D. N.D. N.D. N.D. Gly-Gly N.D. N.D. N.D. N.D. N.D. N.D. N.D. 8 N.D. N.D. N.D. N.D. N.D. N.D. N.D. N.D. N.D. N.D. N.D. N.D. Gly-Leu 17 20 18 24 18 22 18 17 22 17 32 24 30 26 22 29 20 34 24 22 Gramine N.D. N.D. N.D. N.D. N.D. N.D. N.D. N.D. N.D. N.D. N.D. N.D. N.D. N.D. N.D. N.D. N.D. N.D. N.D. N.D. Guanidinoacetate N.D. N.D. N.D. N.D. N.D. N.D. N.D. N.D. N.D. N.D. N.D. N.D. N.D. N.D. N.D. N.D. N.D. N.D. N.D. N.D. Guanidinosuccinate N.D. N.D. N.D. N.D. N.D. N.D. N.D. N.D. N.D. N.D. N.D. N.D. N.D. N.D. N.D. N.D. N.D. N.D. N.D. N.D. Guanine 46 60 46 52 57 48 45 54 61 70 42 32 39 32 40 35 40 40 35 43 Guanosine N.D. N.D. 22 28 39 20 32 31 16 31 N.D. N.D. N.D. N.D. N.D. N.D. 22 N.D. 24 19 Harman N.D. N.D. N.D. N.D. N.D. N.D. N.D. N.D. N.D. N.D. N.D. N.D. N.D. N.D. N.D. N.D. N.D. N.D. N.D. N.D. Hexylamine N.D. N.D. N.D. N.D. N.D. N.D. N.D. N.D. N.D. N.D. N.D. N.D. N.D. N.D. N.D. N.D. N.D. N.D. N.D. N.D. His 304 263 277 279 291 262 279 278 281 259 339 325 318 320 247 306 242 313 267 235 Histamine 11 7 N.D. 3 4 N.D. 7 N.D. 7 N.D. N.D. N.D. N.D. 4 N.D. N.D. N.D. N.D. 5 N.D. Histidinol N.D. N.D. N.D. N.D. N.D. N.D. 5 N.D. N.D. N.D. N.D. N.D. N.D. N.D. N.D. N.D. N.D. N.D. N.D. 8 Homocarnosine N.D. N.D. N.D. N.D. N.D. N.D. N.D. N.D. N.D. N.D. N.D. N.D. N.D. N.D. N.D. N.D. N.D. N.D. N.D. N.D. Homocysteine N.D. N.D. N.D. N.D. N.D. N.D. N.D. N.D. N.D. N.D. N.D. N.D. N.D. N.D. N.D. N.D. N.D. N.D. N.D. N.D. Homocystine N.D. N.D. N.D. N.D. N.D. N.D. N.D. N.D. N.D. N.D. N.D. N.D. N.D. N.D. N.D. N.D. N.D. N.D. N.D. N.D. Homoserine 75 105 100 111 141 117 105 105 95 116 86 91 91 82 80 71 84 73 76 90 Hydroxyproline 216 275 279 308 368 326 316 279 284 305 195 335 268 251 287 297 289 149 207 297 Hydroxyurea N.D. N.D. N.D. N.D. N.D. N.D. N.D. N.D. N.D. N.D. N.D. N.D. N.D. N.D. N.D. N.D. N.D. N.D. N.D. N.D. Hypotaurine N.D. N.D. N.D. N.D. N.D. N.D. N.D. N.D. N.D. N.D. N.D. N.D. N.D. N.D. N.D. N.D. N.D. N.D. N.D. N.D. Hypoxanthine 249 540 215 287 427 305 268 139 208 136 205 125 89 134 62 111 198 295 168 239 Ibotenate N.D. N.D. N.D. N.D. N.D. N.D. N.D. N.D. N.D. N.D. N.D. N.D. N.D. N.D. N.D. N.D. N.D. N.D. N.D. N.D. Ile 135 151 161 179 165 176 148 132 138 150 146 151 132 139 124 140 126 146 126 137 Imidazole-4-acetate N.D. N.D. N.D. N.D. N.D. N.D. N.D. N.D. N.D. N.D. N.D. N.D. N.D. N.D. N.D. N.D. N.D. N.D. N.D. N.D. Indole-3-acetaldehyde N.D. N.D. N.D. N.D. N.D. N.D. N.D. N.D. N.D. N.D. N.D. N.D. N.D. N.D. N.D. N.D. N.D. N.D. N.D. N.D. Indole-3-acetamide N.D. N.D. N.D. N.D. N.D. N.D. N.D. N.D. N.D. N.D. N.D. N.D. N.D. N.D. N.D. N.D. N.D. N.D. N.D. N.D. Indole-3-acetate N.D. N.D. N.D. N.D. N.D. N.D. N.D. N.D. N.D. N.D. N.D. N.D. N.D. N.D. N.D. N.D. N.D. N.D. N.D. N.D. Indole-3-ethanol N.D. N.D. N.D. N.D. N.D. N.D. N.D. N.D. N.D. N.D. N.D. N.D. N.D. N.D. N.D. N.D. N.D. N.D. N.D. N.D. Inosine 97 169 279 423 650 240 367 297 258 283 142 190 179 218 138 173 182 122 222 276 Isoamylamine N.D. N.D. N.D. N.D. N.D. N.D. N.D. N.D. N.D. N.D. N.D. N.D. N.D. N.D. N.D. N.D. N.D. N.D. N.D. N.D. Isobutylamine N.D. N.D. N.D. N.D. N.D. N.D. N.D. N.D. N.D. N.D. N.D. N.D. N.D. N.D. N.D. N.D. N.D. N.D. N.D. N.D. Isonicotinamide N.D. N.D. N.D. N.D. N.D. N.D. N.D. N.D. N.D. N.D. N.D. N.D. N.D. N.D. N.D. N.D. N.D. N.D. N.D. N.D. Isopropanolamine N.D. 5 N.D. N.D. N.D. N.D. N.D. N.D. N.D. N.D. N.D. N.D. N.D. N.D. N.D. N.D. N.D. N.D. N.D. N.D. Kynurenine N.D. N.D. N.D. N.D. N.D. N.D. N.D. N.D. N.D. N.D. N.D. N.D. N.D. N.D. N.D. N.D. N.D. N.D. N.D. N.D. Leu 142 139 174 188 182 159 143 138 148 156 154 155 134 147 129 143 133 136 137 124 Leu-Leu-Tyr N.D. N.D. N.D. N.D. N.D. N.D. N.D. N.D. N.D. N.D. N.D. N.D. N.D. N.D. N.D. N.D. N.D. N.D. N.D. N.D. Lys 826 847 926 1069 1106 1042 1050 1165 1117 1167 974 1047 1119 987 1055 1013 993 1135 945 888 Lysinamide N.D. N.D. N.D. N.D. N.D. N.D. N.D. N.D. N.D. N.D. N.D. N.D. N.D. N.D. N.D. N.D. N.D. N.D. N.D. N.D. Mannosamine N.D. N.D. N.D. N.D. N.D. N.D. N.D. N.D. N.D. N.D. N.D. N.D. N.D. N.D. N.D. N.D. N.D. N.D. N.D. N.D. Melamine N.D. N.D. N.D. N.D. N.D. N.D. N.D. N.D. N.D. N.D. N.D. N.D. N.D. N.D. N.D. N.D. N.D. N.D. N.D. N.D. Melatonin N.D. N.D. N.D. N.D. N.D. N.D. N.D. N.D. N.D. N.D. N.D. N.D. N.D. N.D. N.D. N.D. N.D. N.D. N.D. N.D. Met 112 155 153 158 178 152 138 118 126 131 145 153 131 128 117 120 110 113 96 121 Metformin N.D. N.D. N.D. N.D. N.D. N.D. N.D. N.D. N.D. N.D. N.D. N.D. N.D. N.D. N.D. N.D. N.D. N.D. N.D. N.D. Methionine sulfoxide 41 44 37 42 52 44 54 68 55 65 54 46 48 49 51 43 63 33 34 43 Methionine sulfoximine N.D. N.D. N.D. N.D. N.D. N.D. N.D. N.D. N.D. N.D. N.D. N.D. N.D. N.D. N.D. N.D. N.D. N.D. N.D. N.D. Methylguanidine N.D. N.D. N.D. N.D. N.D. N.D. N.D. N.D. N.D. N.D. N.D. N.D. N.D. N.D. N.D. N.D. N.D. N.D. N.D. N.D. Muramate N.D. N.D. N.D. N.D. N.D. N.D. N.D. N.D. N.D. N.D. N.D. N.D. N.D. N.D. N.D. N.D. N.D. N.D. N.D. N.D. Muscimol N.D. N.D. N.D. N.D. N.D. N.D. N.D. N.D. N.D. N.D. N.D. N.D. N.D. N.D. N.D. N.D. N.D. N.D. N.D. N.D. N,N-Dimethylglycine N.D. 14 N.D. 23 N.D. 13 N.D. N.D. N.D. N.D. N.D. N.D. N.D. N.D. N.D. N.D. N.D. 19 17 N.D. N1,N12-Diacetylspermine N.D. 3 N.D. N.D. N.D. N.D. N.D. N.D. N.D. N.D. N.D. N.D. N.D. N.D. N.D. N.D. N.D. N.D. N.D. N.D. N1-Acetylspermidine 6 12 7 8 8 10 9 9 7 5 5 9 7 6 6 7 7 5 7 7 N1-Acetylspermine N.D. N.D. N.D. N.D. N.D. N.D. N.D. N.D. N.D. N.D. N.D. N.D. N.D. N.D. N.D. N.D. N.D. N.D. N.D. N.D. N6,N6,N6-Trimethyllysine 13 15 17 12 17 17 17 18 18 11 11 14 16 14 15 13 12 10 11 11 N6-Methyl-2'-deoxyadenosine N.D. N.D. N.D. N.D. N.D. N.D. N.D. N.D. N.D. N.D. N.D. N.D. N.D. N.D. N.D. N.D. N.D. N.D. N.D. N.D. N8-Acetylspermidine N.D. 3 N.D. N.D. 3 3 N.D. N.D. N.D. N.D. 3 N.D. N.D. 4 N.D. N.D. N.D. 3 N.D. 3 N-Acetylglucosamine 107 131 N.D. N.D. N.D. 86 N.D. N.D. N.D. N.D. N.D. N.D. N.D. N.D. N.D. N.D. N.D. 103 N.D. N.D. N-Acetylglucosylamine N.D. N.D. N.D. N.D. N.D. N.D. N.D. N.D. N.D. N.D. N.D. N.D. N.D. N.D. N.D. N.D. N.D. N.D. N.D. N.D. N-Acetylhistidine 30 20 19 14 11 11 19 14 18 12 89 37 42 53 16 18 19 43 54 29 N-Acetylornithine 13 26 22 22 25 30 24 21 28 23 19 26 23 22 21 21 21 15 20 23 N-Acetylputrescine 7 9 6 5 7 6 5 N.D. 7 6 8 7 4 6 7 6 7 5 7 10 N-alpha,N-alpha-Dimethylhistidine N.D. N.D. N.D. N.D. N.D. N.D. N.D. N.D. N.D. N.D. N.D. N.D. N.D. N.D. N.D. N.D. N.D. N.D. N.D. N.D. N-alpha-Benzenolarginine ethylester N.D. N.D. N.D. N.D. N.D. N.D. N.D. N.D. N.D. N.D. N.D. N.D. N.D. N.D. N.D. N.D. N.D. N.D. N.D. N.D. N-epsilon-Acetyllysine 27 25 23 27 24 24 21 22 19 24 29 23 23 25 25 25 28 32 20 21 N-gamma-Ethylglutamine N.D. N.D. N.D. N.D. N.D. N.D. N.D. N.D. N.D. N.D. N.D. N.D. N.D. N.D. N.D. N.D. N.D. N.D. N.D. N.D. Nicotinamide 119 80 108 106 239 92 83 90 91 100 119 148 112 101 160 121 107 113 97 100 Nicotine N.D. N.D. N.D. N.D. N.D. N.D. N.D. N.D. N.D. N.D. N.D. N.D. N.D. N.D. N.D. N.D. N.D. N.D. N.D. N.D. N-Methylalanine 42 72 72 112 115 63 101 122 78 79 43 71 91 58 105 74 73 43 75 58 N-Methylaniline N.D. N.D. N.D. N.D. N.D. N.D. N.D. N.D. N.D. N.D. N.D. N.D. N.D. N.D. N.D. N.D. N.D. N.D. N.D. N.D. N-Methylglutamate N.D. N.D. N.D. N.D. N.D. N.D. N.D. N.D. N.D. N.D. N.D. N.D. N.D. N.D. N.D. N.D. N.D. N.D. N.D. N.D. NMN N.D. N.D. N.D. N.D. N.D. N.D. N.D. N.D. N.D. N.D. N.D. N.D. N.D. N.D. N.D. N.D. N.D. N.D. N.D. N.D. N-omega-Methyltryptamine N.D. N.D. N.D. N.D. N.D. N.D. N.D. N.D. N.D. N.D. N.D. N.D. N.D. N.D. N.D. N.D. N.D. N.D. N.D. N.D. Noradrenaline N.D. N.D. N.D. N.D. N.D. N.D. N.D. N.D. N.D. N.D. N.D. N.D. N.D. N.D. N.D. N.D. N.D. N.D. N.D. N.D. Nornicotine N.D. N.D. N.D. N.D. N.D. N.D. N.D. N.D. N.D. N.D. N.D. N.D. N.D. N.D. N.D. N.D. N.D. N.D. N.D. N.D. o-Acetylcarnitine 5 N.D. N.D. 8 6 N.D. N.D. N.D. N.D. N.D. N.D. N.D. 4 5 5 N.D. 4 N.D. 5 N.D. O-Acetylserine N.D. N.D. N.D. N.D. N.D. N.D. N.D. N.D. N.D. N.D. N.D. N.D. N.D. N.D. N.D. N.D. N.D. N.D. N.D. N.D. Octopine N.D. N.D. N.D. N.D. N.D. N.D. N.D. N.D. N.D. N.D. N.D. N.D. N.D. N.D. N.D. N.D. N.D. N.D. N.D. N.D. Octylamine N.D. N.D. N.D. N.D. N.D. N.D. N.D. N.D. N.D. N.D. N.D. N.D. N.D. N.D. N.D. N.D. N.D. N.D. N.D. N.D. Ornithine 136 228 104 230 127 239 144 109 204 138 107 219 211 174 146 188 152 131 165 181 o-Succinylhomoserine N.D. N.D. N.D. N.D. N.D. N.D. N.D. N.D. N.D. N.D. N.D. N.D. N.D. N.D. N.D. N.D. N.D. N.D. N.D. N.D. p-Aminobenzoate 39 31 24 31 31 30 28 40 28 44 33 38 41 27 37 25 39 37 37 41 Phe 63 60 59 60 63 54 51 49 50 61 75 60 52 69 54 50 48 75 55 49 Phenethylamine N.D. N.D. N.D. N.D. N.D. N.D. N.D. N.D. N.D. N.D. N.D. N.D. N.D. N.D. N.D. N.D. N.D. N.D. N.D. N.D. Phenylethanolamine N.D. N.D. N.D. N.D. N.D. N.D. N.D. N.D. N.D. N.D. N.D. N.D. N.D. N.D. N.D. N.D. N.D. N.D. N.D. N.D. Phosphorylcholine N.D. N.D. N.D. 38 N.D. N.D. N.D. N.D. N.D. 41 N.D. N.D. N.D. N.D. N.D. 73 45 N.D. N.D. N.D. Picolinamide N.D. N.D. N.D. N.D. N.D. N.D. N.D. N.D. N.D. N.D. N.D. N.D. N.D. N.D. N.D. N.D. N.D. N.D. N.D. N.D. Pipecolate 23 31 27 28 26 26 27 104 40 31 28 27 33 27 26 26 25 15 31 23 Pro 1085 956 902 720 1022 949 793 1176 1231 970 1328 1364 1434 1098 897 1067 957 993 1045 843 Proline betaine 15 12 15 12 11 10 11 11 16 9 11 9 13 11 7 10 13 9 13 10 Pseudopelletierine N.D. N.D. N.D. N.D. N.D. N.D. N.D. N.D. N.D. N.D. N.D. N.D. N.D. N.D. N.D. N.D. N.D. N.D. N.D. N.D. Pterin N.D. N.D. N.D. N.D. N.D. N.D. N.D. N.D. N.D. N.D. N.D. N.D. N.D. N.D. N.D. N.D. N.D. N.D. N.D. N.D. Purine N.D. N.D. N.D. N.D. N.D. N.D. N.D. N.D. N.D. N.D. N.D. N.D. N.D. N.D. N.D. N.D. N.D. N.D. N.D. N.D. Purine riboside N.D. N.D. N.D. N.D. N.D. N.D. N.D. N.D. N.D. N.D. N.D. N.D. N.D. N.D. N.D. N.D. N.D. N.D. N.D. N.D. Putrescine(1,4-Butanediamine) 32 33 46 78 47 55 69 61 88 97 38 74 77 48 98 74 58 28 51 64 Pyrazole N.D. N.D. N.D. N.D. N.D. N.D. N.D. N.D. N.D. N.D. N.D. N.D. N.D. N.D. N.D. N.D. N.D. N.D. N.D. N.D. Pyridoxal 13 14 N.D. N.D. N.D. 12 14 12 N.D. 11 N.D. 14 12 11 12 12 11 17 11 13 Pyridoxamine N.D. N.D. N.D. N.D. N.D. N.D. N.D. N.D. N.D. N.D. N.D. N.D. N.D. N.D. N.D. N.D. N.D. N.D. N.D. N.D. Pyridoxamine 5'-phosphate 34 37 38 45 48 39 32 34 28 42 36 41 38 40 36 45 34 43 22 33 Pyridoxine 14 17 16 20 20 16 22 20 20 27 13 17 19 14 23 17 19 7 17 18 Riboflavin N.D. N.D. N.D. N.D. N.D. N.D. N.D. N.D. N.D. N.D. N.D. N.D. N.D. N.D. N.D. N.D. N.D. N.D. N.D. N.D. Saccharopine 14 N.D. N.D. N.D. 19 26 23 N.D. N.D. 14 12 N.D. 30 N.D. 18 15 N.D. N.D. N.D. N.D. SAH N.D. 4 8 8 6 4 4 6 N.D. 6 N.D. N.D. N.D. 4 N.D. N.D. N.D. N.D. N.D. N.D. SAM+ 25 41 42 47 50 50 47 37 34 41 27 37 35 41 35 37 33 19 22 29 Sarcosine 21 10 15 12 21 13 13 12 N.D. N.D. N.D. N.D. 14 10 22 N.D. 10 13 29 9 Sepiapterin N.D. N.D. N.D. N.D. N.D. N.D. N.D. N.D. N.D. N.D. N.D. N.D. N.D. N.D. N.D. N.D. N.D. N.D. N.D. N.D. Ser 674 766 789 911 998 719 579 749 755 851 778 823 769 738 746 728 722 504 631 720 Serotonin N.D. N.D. 16 N.D. N.D. N.D. 14 N.D. N.D. N.D. N.D. N.D. N.D. N.D. N.D. N.D. N.D. N.D. N.D. N.D. S-Lactoylglutathione N.D. N.D. N.D. N.D. N.D. N.D. N.D. N.D. N.D. N.D. N.D. N.D. N.D. N.D. N.D. N.D. N.D. N.D. N.D. N.D. S-Methylmethionine N.D. N.D. N.D. N.D. N.D. N.D. N.D. N.D. N.D. N.D. N.D. N.D. N.D. N.D. N.D. N.D. N.D. N.D. N.D. N.D. Spermidine 83 40 53 46 48 39 38 46 54 57 58 40 62 54 23 37 43 51 35 42 Spermine N.D. N.D. N.D. N.D. N.D. N.D. N.D. N.D. N.D. N.D. N.D. N.D. N.D. N.D. N.D. N.D. N.D. N.D. N.D. N.D. Synephrine N.D. N.D. N.D. N.D. N.D. N.D. N.D. N.D. N.D. N.D. N.D. N.D. N.D. N.D. N.D. N.D. N.D. N.D. N.D. N.D. Taurine 399 298 838 1334 935 489 622 357 626 749 N.D. 370 N.D. 456 399 458 482 N.D. 467 319 Taurocyamine N.D. N.D. N.D. N.D. N.D. N.D. N.D. N.D. N.D. N.D. N.D. N.D. N.D. N.D. N.D. N.D. N.D. N.D. N.D. N.D. Tetrahydropalmatine N.D. N.D. N.D. N.D. N.D. N.D. N.D. N.D. N.D. N.D. N.D. N.D. N.D. N.D. N.D. N.D. N.D. N.D. N.D. N.D. Thiamine N.D. 10 N.D. 6 7 5 5 6 N.D. 5 N.D. N.D. N.D. N.D. N.D. N.D. N.D. N.D. N.D. N.D. Thiamine monophosphate N.D. N.D. N.D. N.D. N.D. N.D. N.D. N.D. N.D. N.D. N.D. N.D. N.D. N.D. N.D. N.D. N.D. N.D. N.D. N.D. Thr 903 1103 1046 1051 1134 1188 1019 949 1101 947 999 1246 1238 1119 945 1124 1106 892 1082 1021 Thymidine 259 373 N.D. N.D. 337 N.D. 397 N.D. N.D. 412 N.D. 84 408 371 265 387 N.D. 456 N.D. 610 Thymine N.D. N.D. N.D. N.D. N.D. N.D. N.D. N.D. N.D. N.D. N.D. N.D. N.D. N.D. N.D. N.D. N.D. N.D. N.D. N.D. trans-Zeatin N.D. N.D. N.D. N.D. N.D. N.D. N.D. N.D. N.D. N.D. N.D. N.D. N.D. N.D. N.D. N.D. N.D. N.D. N.D. N.D. TRH N.D. N.D. N.D. N.D. N.D. N.D. N.D. N.D. N.D. N.D. N.D. N.D. N.D. N.D. N.D. N.D. N.D. N.D. N.D. N.D. Trientine N.D. N.D. N.D. N.D. N.D. N.D. N.D. N.D. N.D. N.D. N.D. N.D. N.D. N.D. N.D. N.D. N.D. N.D. N.D. N.D. Trigonelline N.D. N.D. N.D. N.D. N.D. N.D. N.D. N.D. N.D. N.D. N.D. N.D. N.D. N.D. N.D. N.D. N.D. N.D. N.D. N.D. Trimethylamine N.D. N.D. N.D. N.D. N.D. N.D. N.D. N.D. N.D. N.D. N.D. N.D. N.D. N.D. N.D. N.D. N.D. N.D. N.D. N.D. Trimethylamine N-oxide N.D. N.D. N.D. N.D. N.D. N.D. N.D. N.D. N.D. N.D. N.D. N.D. N.D. N.D. N.D. N.D. N.D. N.D. N.D. N.D. Trimethylsulfonium N.D. N.D. N.D. N.D. N.D. N.D. N.D. N.D. N.D. N.D. N.D. N.D. N.D. N.D. N.D. N.D. N.D. N.D. N.D. N.D. Tropine N.D. N.D. N.D. N.D. N.D. N.D. N.D. N.D. N.D. N.D. N.D. N.D. N.D. N.D. N.D. N.D. N.D. N.D. N.D. N.D. Tropinone N.D. N.D. N.D. N.D. N.D. N.D. N.D. N.D. N.D. N.D. N.D. N.D. N.D. N.D. N.D. N.D. N.D. N.D. N.D. N.D. Trp 67.90082624 74.87697984 66.73570219 73.35504825 76.95814182 62.32768621 74.37223173 75.18904876 81.97614704 60.21024958 106.4381974 83.46121732 84.30113239 81.5290902 69.35161892 72.95773241 68.69667363 93.08116855 72.08610355 68.67421854 Tryptamine N.D. 8.325974264 N.D. N.D. 6.906134622 5.694659788 11.93724527 7.880700966 7.275183452 6.843705506 8.095887066 9.790829748 6.643605339 6.046511427 9.28179498 8.164807115 7.172604079 7.323573709 7.37942413 9.056297878 Tyr 159.435476 129.061374 142.7083041 154.5853913 159.83643 146.2701434 115.1735333 124.0377878 118.2839148 112.7578443 156.735543 154.2625656 123.170968 167.6462757 125.6986405 143.0822317 104.1790964 309.8338731 118.5670277 113.3867982 Tyramine 12.95749452 17.45560475 13.98618512 18.11729028 17.20277125 19.89491198 15.43505829 13.48698493 15.94733186 16.38057426 8.729019718 13.54208989 12.38855926 13.98703165 14.11139521 12.01047621 17.5631459 21.3263322 15.7624968 14.71858334 Uracil N.D. N.D. N.D. N.D. 169.2498445 N.D. N.D. N.D. N.D. N.D. N.D. 113.2793687 N.D. N.D. N.D. N.D. N.D. 171.4841375 N.D. N.D. Urea N.D. N.D. N.D. N.D. N.D. N.D. N.D. N.D. N.D. N.D. N.D. N.D. N.D. N.D. N.D. N.D. N.D. N.D. N.D. N.D. Uridine 297.5161904 369.9162172 418.8033313 410.9535058 453.6120673 429.470366 349.3231876 359.9822334 348.9241615 368.3190305 324.8052164 344.6888455 285.1384215 327.6255138 287.0399168 350.2784647 391.6099253 402.5540008 360.5796059 420.4054061 Urocanate 15.92835477 N.D. 7.54540041 N.D. N.D. 8.037726405 N.D. N.D. N.D. 14.07380358 13.00201514 13.51157459 10.42620336 7.476028483 11.26251828 10.78820023 13.31421561 14.10480043 N.D. 12.94320727 Val 467.6006293 536.2876639 543.0238974 636.2387665 577.2473091 572.9455585 526.4425196 492.1292754 457.7541752 478.8105242 612.1600827 496.9224167 479.3243704 544.8045727 439.0969658 454.1318127 421.2139659 431.5125156 452.6935728 494.2812485 Xanthine N.D. N.D. N.D. N.D. 176.9829264 N.D. N.D. N.D. N.D. N.D. N.D. N.D. N.D. N.D. N.D. N.D. N.D. N.D. N.D. N.D. Xanthosine N.D. N.D. N.D. N.D. N.D. N.D. N.D. N.D. N.D. N.D. N.D. N.D. N.D. N.D. N.D. N.D. N.D. N.D. N.D. N.D. 1-Amino-1-cyclopentanecarboxylate N.D. N.D. N.D. N.D. N.D. N.D. N.D. N.D. N.D. N.D. N.D. N.D. N.D. N.D. N.D. N.D. N.D. N.D. N.D. N.D. 1-Aminocyclopropane-1-carboxylate N.D. N.D. N.D. N.D. N.D. N.D. N.D. 6.60320759 N.D. N.D. N.D. N.D. N.D. N.D. N.D. N.D. N.D. N.D. N.D. N.D. 1-Methyl-2-pyrrolidinone N.D. N.D. N.D. N.D. N.D. N.D. N.D. N.D. N.D. N.D. N.D. N.D. N.D. N.D. N.D. N.D. N.D. N.D. N.D. N.D. 1-Methyladenosine N.D. N.D. N.D. N.D. N.D. N.D. N.D. N.D. N.D. N.D. N.D. N.D. N.D. N.D. N.D. N.D. N.D. N.D. N.D. N.D. 1-Methylhistamine 9.964120442 11.1795386 9.06524141 8.42711921 10.01047595 9.172135239 10.40082996 10.3792712 12.63429846 6.480170617 5.180498361 7.471050945 8.467462378 7.617024942 6.094109936 6.175294769 9.075424874 13.08238887 11.9305558 9.405675469 1-Methylnicotinamide N.D. N.D. N.D. N.D. N.D. N.D. N.D. N.D. N.D. N.D. N.D. N.D. N.D. N.D. N.D. N.D. N.D. N.D. N.D. N.D. 1,3-Diaminopropane 15.98849577 N.D. 21.6586477 29.9596473 N.D. N.D. 24.53630469 17.94337836 N.D. 35.0956524 N.D. 31.18349977 26.8643782 N.D. 34.98448362 22.72428444 22.27584661 N.D. 23.6793353 N.D. 2,3-Diaminopropionate N.D. N.D. N.D. N.D. N.D. N.D. N.D. N.D. N.D. N.D. N.D. N.D. N.D. N.D. N.D. N.D. N.D. N.D. N.D. N.D. 2,4-Diaminobutyrate N.D. N.D. N.D. N.D. N.D. N.D. N.D. N.D. N.D. N.D. N.D. N.D. N.D. N.D. N.D. N.D. N.D. N.D. N.D. N.D. 2,4-Dimethylaniline N.D. N.D. N.D. N.D. N.D. N.D. N.D. N.D. N.D. N.D. N.D. N.D. N.D. N.D. N.D. N.D. N.D. N.D. N.D. N.D. 2AB 80.160747 95.85819241 82.20732407 76.63347766 98.23670127 69.57833219 85.24315888 111.5293062 109.8877788 95.48818691 84.50486555 111.3602341 100.0555378 80.20146321 105.7984159 83.91918081 74.93009782 78.35194073 86.45286208 87.3748133 2-Aminobenzimidazole N.D. N.D. N.D. N.D. N.D. N.D. N.D. N.D. N.D. N.D. N.D. N.D. N.D. N.D. N.D. N.D. N.D. N.D. N.D. N.D. 2-Aminophenol N.D. N.D. 4.051979519 N.D. 5.226331366 4.402564304 3.936360958 N.D. N.D. 3.988202853 N.D. N.D. N.D. N.D. N.D. N.D. N.D. N.D. N.D. N.D. 2'-Deoxycytidine N.D. N.D. N.D. N.D. N.D. N.D. N.D. N.D. N.D. N.D. N.D. N.D. N.D. N.D. N.D. N.D. N.D. N.D. N.D. N.D. 2'-Deoxyguanosine N.D. N.D. N.D. N.D. N.D. N.D. N.D. N.D. N.D. N.D. N.D. N.D. N.D. N.D. N.D. N.D. N.D. N.D. N.D. N.D. 2'-Deoxyinosine N.D. N.D. N.D. N.D. N.D. N.D. N.D. N.D. N.D. N.D. N.D. N.D. N.D. N.D. N.D. N.D. N.D. N.D. N.D. N.D. 2-Deoxystreptamine N.D. N.D. N.D. N.D. N.D. N.D. N.D. N.D. N.D. N.D. N.D. N.D. N.D. N.D. N.D. N.D. N.D. N.D. N.D. N.D. 2-Guanidinobenzimidazole N.D. N.D. N.D. N.D. N.D. N.D. N.D. N.D. N.D. N.D. N.D. N.D. N.D. N.D. N.D. N.D. N.D. N.D. N.D. N.D. 3,3',5-Triiodothyronine N.D. N.D. N.D. N.D. N.D. N.D. N.D. N.D. N.D. N.D. N.D. N.D. N.D. N.D. N.D. N.D. N.D. N.D. N.D. N.D. 3,5-Diiodo-tyrosine N.D. N.D. N.D. N.D. N.D. N.D. N.D. N.D. N.D. N.D. N.D. N.D. N.D. N.D. N.D. N.D. N.D. N.D. N.D. N.D. 3-Aminoisobutyrate N.D. 6.244005436 9.149525411 7.070231584 8.574502062 9.308546891 6.120221146 7.447898241 6.662348408 N.D. 8.157653582 8.901992956 9.570049429 6.324656599 6.525008777 6.535809529 N.D. 8.06792512 N.D. N.D. 3-Aminopropane-1,2-diol N.D. N.D. N.D. N.D. N.D. N.D. N.D. N.D. N.D. N.D. N.D. N.D. N.D. N.D. N.D. N.D. N.D. N.D. N.D. N.D. 3-Aminopropionitrile N.D. N.D. N.D. N.D. N.D. N.D. N.D. N.D. N.D. N.D. N.D. N.D. N.D. N.D. N.D. N.D. N.D. N.D. N.D. N.D. 3-Chloroalanine N.D. N.D. N.D. N.D. N.D. N.D. N.D. N.D. N.D. N.D. N.D. N.D. N.D. N.D. N.D. N.D. N.D. N.D. N.D. N.D. 3-Hydroxyanthranilate N.D. N.D. N.D. N.D. N.D. N.D. N.D. N.D. N.D. N.D. N.D. N.D. N.D. N.D. N.D. N.D. N.D. N.D. N.D. N.D. 3-Hydroxykynurenine N.D. N.D. N.D. N.D. N.D. N.D. N.D. N.D. N.D. N.D. N.D. N.D. N.D. N.D. N.D. N.D. N.D. N.D. N.D. N.D. 3-Iodotyrosine N.D. N.D. N.D. N.D. N.D. N.D. N.D. N.D. N.D. N.D. N.D. N.D. N.D. N.D. N.D. N.D. N.D. N.D. N.D. N.D. 3-Methoxytyramine N.D. N.D. N.D. N.D. N.D. N.D. N.D. N.D. N.D. N.D. N.D. N.D. N.D. N.D. N.D. N.D. N.D. N.D. N.D. N.D. 3-Methyladenine N.D. N.D. N.D. N.D. N.D. N.D. N.D. N.D. N.D. N.D. N.D. N.D. N.D. N.D. N.D. N.D. N.D. N.D. N.D. N.D. 3-Methylguanine N.D. N.D. N.D. N.D. N.D. N.D. N.D. N.D. N.D. N.D. N.D. N.D. N.D. N.D. N.D. N.D. N.D. N.D. N.D. N.D. 3-Methylhistidine 21.26542221 22.3399654 21.49891821 21.95451469 25.48258182 19.42374244 25.55459328 24.88362243 24.19244647 18.60499184 23.44932197 28.45365509 20.0840615 22.41674081 19.33469115 20.51285569 20.23920254 11.57946427 23.1381856 21.65181046 4-(beta-Acetylaminoethyl)imidazole 4.781385932 N.D. N.D. N.D. N.D. N.D. N.D. N.D. N.D. N.D. N.D. N.D. N.D. N.D. N.D. N.D. N.D. N.D. N.D. N.D. 4-Amino-3-hydroxybutyrate N.D. N.D. N.D. N.D. N.D. N.D. N.D. N.D. N.D. N.D. N.D. N.D. N.D. N.D. N.D. N.D. N.D. N.D. N.D. N.D. 4-Aminosalicylate N.D. N.D. N.D. N.D. N.D. N.D. N.D. N.D. N.D. N.D. N.D. N.D. N.D. N.D. N.D. N.D. N.D. N.D. N.D. N.D. 4-Hydroxymethylimidazole 12.37901372 14.6195141 13.72463661 17.0855644 17.41696795 14.24544754 15.08976293 17.27387052 16.95752134 14.95177706 12.03084323 14.84983228 14.80054662 11.89140255 18.01512865 13.46680074 14.34661118 9.960092035 13.95536563 14.8381806 4-Methyl-5-thiazoleethanol N.D. N.D. N.D. N.D. N.D. N.D. N.D. N.D. N.D. N.D. N.D. N.D. N.D. N.D. N.D. N.D. N.D. N.D. N.D. N.D. 5,6-Dimethylbenzimidazole N.D. N.D. N.D. N.D. N.D. N.D. N.D. N.D. N.D. N.D. N.D. N.D. N.D. N.D. N.D. N.D. N.D. N.D. N.D. N.D. 5-Aminolevulinate N.D. N.D. 6.602124527 N.D. N.D. N.D. N.D. N.D. N.D. N.D. N.D. N.D. N.D. N.D. 6.962315834 N.D. N.D. N.D. N.D. N.D. 5-Aminovalerate 1429.940748 3659.815758 2445.248672 3350.362572 3349.013936 2410.209815 2722.332907 2406.329334 1925.834216 2298.663038 2029.25813 2028.40681 2420.202611 2775.963001 2331.868045 2782.976827 2191.653136 1778.658848 1135.728967 1833.460263 5'-Deoxyadenosine N.D. N.D. N.D. N.D. N.D. N.D. N.D. N.D. N.D. N.D. N.D. N.D. N.D. N.D. N.D. N.D. N.D. N.D. N.D. N.D. 5-Hydroxyindoleacetate 72.26778172 N.D. N.D. 85.39023421 97.67609271 N.D. 104.216915 112.8977096 124.8353178 145.8593746 N.D. 116.4771644 111.1096393 79.94342426 98.87006855 74.03449628 113.0134695 N.D. 146.1313201 145.4593021 5-Hydroxylysine 19.50555973 19.61375678 22.21836375 21.38646544 22.86586655 23.68479584 25.986635 27.236396 28.97702627 28.91906862 21.10648022 27.45364651 22.77242648 19.65129822 26.24710426 21.23685954 25.8869561 16.55735348 24.4250205 22.20584119 5-Hydroxytryptophan N.D. N.D. N.D. N.D. N.D. N.D. N.D. N.D. N.D. N.D. N.D. N.D. N.D. N.D. N.D. N.D. N.D. N.D. N.D. N.D. 5-Methoxyindoleacetate N.D. N.D. 79.10543747 N.D. N.D. N.D. N.D. N.D. N.D. N.D. N.D. N.D. N.D. N.D. N.D. N.D. N.D. N.D. N.D. N.D. 5-Methoxytryptamine N.D. N.D. N.D. N.D. N.D. N.D. N.D. N.D. N.D. N.D. N.D. N.D. N.D. N.D. N.D. N.D. N.D. N.D. N.D. N.D. 5-Methyl-2'-deoxycytidine N.D. N.D. N.D. N.D. N.D. N.D. N.D. N.D. N.D. N.D. N.D. N.D. N.D. N.D. N.D. N.D. N.D. N.D. N.D. N.D. 5-Methylcytosine N.D. N.D. N.D. N.D. N.D. N.D. 16.14862444 N.D. N.D. 21.91194758 N.D. N.D. 68.77514908 N.D. N.D. N.D. N.D. N.D. N.D. N.D. 5-Methyltetrahydrofolate N.D. N.D. N.D. N.D. N.D. N.D. N.D. N.D. N.D. N.D. N.D. N.D. N.D. N.D. N.D. N.D. N.D. N.D. N.D. N.D. 5-Methylthioadenosine 12.55912397 13.56274162 18.92188737 16.14044603 18.27714007 19.68184352 15.74141644 16.76470129 16.22261596 17.94597722 15.98724349 17.67635433 14.77784073 19.53870074 15.28784407 16.65301571 17.51145439 N.D. 11.82452421 10.64114357 5-Oxoproline 267.0064578 347.2402328 263.5583386 320.5138926 318.6956177 357.1034237 247.5010841 180.0104492 181.8709387 249.6900334 308.0326784 306.7813938 263.2088781 292.5350778 270.7850144 346.8208595 320.0152113 268.0334137 151.237532 292.3944602 6-Aminohexanoate 19.92759317 16.47422169 15.88921333 19.05912223 25.61207603 17.56440516 28.3303885 33.2045971 28.30630795 30.28484736 17.849134 22.09297433 24.02253529 18.56923446 31.76116447 13.7583304 23.25829788 17.05955928 23.79659581 18.59785687 6-Hydroxynicotinate N.D. N.D. N.D. N.D. N.D. N.D. N.D. N.D. N.D. N.D. N.D. N.D. N.D. N.D. N.D. N.D. N.D. N.D. N.D. N.D. 6-Methylaminopurine N.D. N.D. N.D. N.D. N.D. N.D. N.D. N.D. N.D. N.D. N.D. N.D. N.D. N.D. N.D. N.D. N.D. N.D. N.D. N.D. 7,8-Dihydrobiopterin N.D. N.D. N.D. N.D. N.D. N.D. N.D. N.D. N.D. N.D. N.D. N.D. N.D. N.D. N.D. N.D. N.D. N.D. N.D. N.D. 7,8-Dihydroneopterin N.D. N.D. N.D. N.D. N.D. N.D. N.D. N.D. N.D. N.D. N.D. N.D. N.D. N.D. N.D. N.D. N.D. N.D. N.D. N.D. 7-Methylguanine N.D. N.D. N.D. N.D. N.D. N.D. N.D. N.D. N.D. N.D. N.D. N.D. N.D. N.D. N.D. N.D. N.D. N.D. N.D. N.D. MS_METABOLITE_DATA_END #METABOLITES METABOLITES_START metabolite_name KEGG mass number Acetylcholine C01996 146.118104 Adenine C00147 135.054495 Adenosine C00212 267.096755 ADMA C03626 202.142976 Agmatine C00179 130.121846 AICAR C04677 338.062754 Ala C00041 89.047679 Ala-Ala C00993 160.084793 Allantoin C01551 158.043991 Alliin C08265 177.045966 alpha-Aminoadipate C00956 161.068809 alpha-Methylbenzylamine C02455 121.089149 Alpha-Methylserine C02115 119.058244 Amantadine C06818 151.136099 Aniline C00292 93.057849 Anserine C01262 240.122241 Anthranilate C00108 137.047679 Arg C00062 174.111676 Arginine ethyl ester C01404 202.142976 Argininosuccinate C03406 290.122636 Asn C00152 132.053493 Asp C00049 133.037509 Benzamide C09815 121.052764 Benzamidine C01784 120.068748 Benzimidazole C02009 118.053098 beta-Ala C00099 89.047679 beta-Ala-Lys C05341 217.142642 beta-Cyanoalanine C02512 114.042928 beta-Imidazolelactate C05568 156.053493 Betaine C00719 117.078979 Betaine aldehyde C00576 102.091889 beta-Leucine C02486 131.094629 Betonicine C08269 159.089544 Bis(3-aminopropyl)amine C03375 131.142247 Cadaverine C01672 102.115698 Canavanine C00308 176.090941 Carnitine C00318 162.113019 Carnosine C00386 226.106591 Castanospermine C02256 189.100109 Choline C00114 104.107539 Citrulline C00327 175.095692 Creatine C00300 131.069477 Creatinine C00791 113.058912 Cyanocobalamin C02823 1295.634209 Cyclohexylamine C00571 99.104799 Cys C00097 121.019751 Cys-Gly C01419 178.041215 Cystathionine C02291 222.06743 Cysteamine C01678 77.029921 Cystine C00491 240.023852 Cytidine C00475 243.085522 Cytosine C00380 111.043262 Desthiobiotin C01909 214.131743 Diethanolamine C06772 105.078979 Dihydrouracil C00429 114.042928 DOPA C00355 197.068809 Dopamine C03758 153.078979 Ectoine C06231 142.074228 Epinephrine C00788 183.089544 Ethanolamine phosphate C00346 141.019097 GABA C00334 103.063329 gamma-Butyrobetaine C01181 146.118104 gamma-Glu-cys C00669 250.062345 gamma-Guanidinobutyrate C01035 145.085127 Gln C00064 146.069143 Glu C00025 147.053159 Glucosaminate C03752 195.074289 Glucosamine C00329 179.079374 Glu-Glu C01425 276.095753 Glutathione(ox) C00127 612.151968 Glutathione(red) C00051 307.083809 Gly C00037 75.032029 Glycerophosphorylcholine C00670 258.110652 Gly-Gly C02037 132.053493 Gly-Leu C02155 188.116093 Gramine C08304 174.115698 Guanidinoacetate C00581 117.053827 Guanidinosuccinate C03139 175.059307 Guanine C00242 151.04941 Guanosine C00387 283.09167 Harman C09209 182.084398 Hexylamine C08306 101.120449 His C00135 155.069477 Histamine C00388 111.079647 Histidinol C00860 141.090212 Homocarnosine C00884 240.122241 Homocysteine C00155 135.035401 Homocystine C01817 268.055152 Homoserine C00263 119.058244 Hydroxyproline C01015 131.058244 Hydroxyurea C07044 76.027278 Hypotaurine C00519 109.019751 Hypoxanthine C00262 136.038511 Ibotenate C10600 158.032758 Ile C00407 131.094629 Imidazole-4-acetate C02835 126.042928 Indole-3-acetaldehyde C00637 159.068414 Indole-3-acetamide C02693 174.079313 Indole-3-acetate C00954 175.063329 Indole-3-ethanol C00955 161.084064 Inosine C00294 268.080771 Isoamylamine C02640 87.104799 Isobutylamine C02787 73.089149 Isonicotinamide C02421 122.048013 Isopropanolamine C05771 75.068414 Kynurenine C00328 208.084793 Leu C00123 131.094629 Leu-Leu-Tyr C11331 407.242022 Lys C00047 146.105528 Lysinamide C01930 145.121512 Mannosamine C03570 179.079374 Melamine C08737 126.065394 Melatonin C01598 232.121178 Met C00073 149.051051 Metformin C07151 129.101445 Methionine sulfoxide C02989 165.045966 Methionine sulfoximine C03510 180.056865 Methylguanidine C02294 73.063997 Muramate C06470 251.100504 Muscimol C08311 114.042928 N,N-Dimethylglycine C01026 103.063329 N1,N12-Diacetylspermine C03413 286.236876 N1-Acetylspermidine C00612 187.168462 N1-Acetylspermine C02567 244.226311 N6,N6,N6-Trimethyllysine C03793 188.152478 N6-Methyl-2'-deoxyadenosine C03795 265.11749 N8-Acetylspermidine C01029 187.168462 N-Acetylglucosamine C00140 221.089939 N-Acetylglucosylamine C01239 220.105923 N-Acetylhistidine C02997 197.080042 N-Acetylornithine C00437 174.100443 N-Acetylputrescine C02714 130.110613 N-alpha,N-alpha-Dimethylhistidine C04259 183.100777 N-alpha-Benzenolarginine ethylester C01670 306.169191 N-epsilon-Acetyllysine C02727 188.116093 N-gamma-Ethylglutamine C01047 174.100443 Nicotinamide C00153 122.048013 Nicotine C00745 162.115698 N-Methylalanine C02721 103.063329 N-Methylaniline C02299 107.073499 N-Methylglutamate C01046 161.068809 NMN C00455 334.056606 N-omega-Methyltryptamine C06213 174.115698 Noradrenaline C00547 169.073894 Nornicotine C06524 148.100048 o-Acetylcarnitine C02571 204.123584 O-Acetylserine C00979 147.053159 Octopine C04137 246.132806 Octylamine C01740 129.151749 Ornithine C00077 132.089878 o-Succinylhomoserine C01118 219.074289 p-Aminobenzoate C00568 137.047679 Phe C00079 165.078979 Phenethylamine C05332 121.089149 Phenylethanolamine C02735 137.084064 Phosphorylcholine C00588 184.073872 Picolinamide C01950 122.048013 Pipecolate C00408 129.078979 Pro C00148 115.063329 Proline betaine C10172 143.094629 Pseudopelletierine C10865 153.115364 Pterin C00715 163.04941 Purine C15587 120.043596 Purine riboside C01736 252.085856 Putrescine(1,4-Butanediamine) C00134 88.100048 Pyrazole C00481 68.037448 Pyridoxal C00250 167.058244 Pyridoxamine C00534 168.089878 Pyridoxamine 5'-phosphate C00647 248.056211 Pyridoxine C00314 169.073894 Riboflavin C00255 376.138286 Saccharopine C00449 276.132138 SAH C00021 384.121591 SAM+ C00019 399.145066 Sarcosine C00213 89.047679 Sepiapterin C00835 237.08619 Ser C00065 105.042594 Serotonin C00780 176.094963 S-Lactoylglutathione C03451 379.104939 S-Methylmethionine C03172 164.074526 Spermidine C00315 145.157897 Spermine C00750 202.215746 Synephrine C04548 167.094629 Taurine C00245 125.014666 Taurocyamine C01959 167.036464 Tetrahydropalmatine C02890 355.178359 Thiamine C00378 265.112308 Thiamine monophosphate C01081 345.078641 Thr C00188 119.058244 Thymidine C00214 242.090273 Thymine C00178 126.042928 trans-Zeatin C00371 219.11201 TRH C03958 362.170254 Trientine C07166 146.153146 Trigonelline C01004 137.047679 Trimethylamine C00565 59.073499 Trimethylamine N-oxide C01104 75.068414 Trimethylsulfonium C01008 77.042497 Tropine C00729 141.115364 Tropinone C00783 139.099714 Trp C00078 204.089878 Tryptamine C00398 160.100048 Tyr C00082 181.073894 Tyramine C00483 137.084064 Uracil C00106 112.027278 Urea C00086 60.032363 Uridine C00299 244.069538 Urocanate C00785 138.042928 Val C00183 117.078979 Xanthine C00385 152.033426 Xanthosine C01762 284.075686 1-Amino-1-cyclopentanecarboxylate C03969 129.078979 1-Aminocyclopropane-1-carboxylate C01234 101.047679 1-Methyl-2-pyrrolidinone C11118 99.068414 1-Methyladenosine C02494 281.112405 1-Methylhistamine C05127 125.095297 1-Methylnicotinamide C02918 137.071488 1,3-Diaminopropane C00986 74.084398 2,3-Diaminopropionate C06393 104.058578 2,4-Diaminobutyrate C03283 118.074228 2,4-Dimethylaniline C11003 121.089149 2AB C02356 103.063329 2-Aminobenzimidazole C10901 133.063997 2-Aminophenol C01987 109.052764 2'-Deoxycytidine C00881 227.090607 2'-Deoxyguanosine C00330 267.096755 2'-Deoxyinosine C05512 252.085856 2-Deoxystreptamine C02627 162.100443 2-Guanidinobenzimidazole C10898 175.085795 3,3',5-Triiodothyronine C02465 650.790065 3,5-Diiodo-tyrosine C01060 432.867198 3-Aminoisobutyrate C05145 103.063329 3-Aminopropane-1,2-diol C06057 91.063329 3-Aminopropionitrile C05670 70.053098 3-Chloroalanine C02635 123.008707 3-Hydroxyanthranilate C00632 153.042594 3-Hydroxykynurenine C02794 224.079708 3-Iodotyrosine C02515 306.970546 3-Methoxytyramine C05587 167.094629 3-Methyladenine C00913 149.070145 3-Methylguanine C02230 165.06506 3-Methylhistidine C01152 169.085127 4-(beta-Acetylaminoethyl)imidazole C05135 153.090212 4-Amino-3-hydroxybutyrate C03678 119.058244 4-Aminosalicylate C02518 153.042594 4-Hydroxymethylimidazole C05562 98.048013 4-Methyl-5-thiazoleethanol C04294 143.040486 5,6-Dimethylbenzimidazole C03114 146.084398 5-Aminolevulinate C00430 131.058244 5-Aminovalerate C00431 117.078979 5'-Deoxyadenosine C05198 251.10184 5-Hydroxyindoleacetate C05635 191.058244 5-Hydroxylysine C16741 162.100443 5-Hydroxytryptophan C00643 220.084793 5-Methoxyindoleacetate C05660 205.073894 5-Methoxytryptamine C05659 190.110613 5-Methyl-2'-deoxycytidine C03592 241.106257 5-Methylcytosine C02376 125.058912 5-Methyltetrahydrofolate C00440 459.186633 5-Methylthioadenosine C00170 297.089562 5-Oxoproline C01879 129.042594 6-Aminohexanoate C02378 131.094629 6-Hydroxynicotinate C01020 139.026944 6-Methylaminopurine C08434 149.070145 7,8-Dihydrobiopterin C02953 239.10184 7,8-Dihydroneopterin C04874 255.096755 7-Methylguanine C02242 165.06506 METABOLITES_END #END