#METABOLOMICS WORKBENCH houyuanlong2020_20230512_043027 DATATRACK_ID:4021 STUDY_ID:ST002701 ANALYSIS_ID:AN004378 PROJECT_ID:PR001672 VERSION 1 CREATED_ON May 12, 2023, 7:56 am #PROJECT PR:PROJECT_TITLE A stress-responsive brain-gut metabolic axis instructs intestinal cell lineage PR:PROJECT_TITLE commitment PR:PROJECT_TYPE serum PR:PROJECT_SUMMARY The brain and gut are intricately connected in response to various stressful PR:PROJECT_SUMMARY stimuli. Here we describe a brain-to-gut pathway in mice that instructs PR:PROJECT_SUMMARY intestinal stem cells (ISCs) lineage commitment via bacterial metabolic signals. PR:PROJECT_SUMMARY Psychological stress signals from the brain trigger a sympathetic pathway to PR:PROJECT_SUMMARY enrich gut commensal Lactobacillus, which contributes to a transferrable loss of PR:PROJECT_SUMMARY intestinal secretory cell subtypes. Indole-3-acetate (IAA) production by PR:PROJECT_SUMMARY Lactobacillus murinus disrupts mitochondrial bioenergetics of ISCs and blocks PR:PROJECT_SUMMARY secretory lineage commitment. In patients with mental stress, we observe similar PR:PROJECT_SUMMARY enrichment of IAA and Lactobacillus species associated with gut dysfunction. PR:PROJECT_SUMMARY These findings uncover a stress-responsive brain-gut signalling mechanism that PR:PROJECT_SUMMARY skews ISCs fate decision and could be targeted for stress-driven gut-brain PR:PROJECT_SUMMARY comorbidities. PR:INSTITUTE China Pharmaceutical University PR:LAST_NAME yuanlong PR:FIRST_NAME hou PR:ADDRESS nanjing PR:EMAIL jian2103@163.com PR:PHONE 18851105337 #STUDY ST:STUDY_TITLE Mouse serum metabolomics ST:STUDY_SUMMARY The brain and gut are intricately connected in response to various stressful ST:STUDY_SUMMARY stimuli. Here we describe a brain-to-gut pathway in mice that instructs ST:STUDY_SUMMARY intestinal stem cells (ISCs) lineage commitment via bacterial metabolic signals. ST:STUDY_SUMMARY Psychological stress signals from the brain trigger a sympathetic pathway to ST:STUDY_SUMMARY enrich gut commensal Lactobacillus, which contributes to a transferrable loss of ST:STUDY_SUMMARY intestinal secretory cell subtypes. Indole-3-acetate (IAA) production by ST:STUDY_SUMMARY Lactobacillus murinus disrupts mitochondrial bioenergetics of ISCs and blocks ST:STUDY_SUMMARY secretory lineage commitment. In patients with mental stress, we observe similar ST:STUDY_SUMMARY enrichment of IAA and Lactobacillus species associated with gut dysfunction. ST:STUDY_SUMMARY These findings uncover a stress-responsive brain-gut signalling mechanism that ST:STUDY_SUMMARY skews ISCs fate decision and could be targeted for stress-driven gut-brain ST:STUDY_SUMMARY comorbidities. ST:INSTITUTE China Pharmaceutical University ST:LAST_NAME yuanlong ST:FIRST_NAME hou ST:ADDRESS nanjing ST:EMAIL jian2103@163.com ST:PHONE 18851105337 #SUBJECT SU:SUBJECT_TYPE Mammal SU:SUBJECT_SPECIES Mus musculus SU:TAXONOMY_ID 10090 SU:GENDER Female #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 - Con1 Treatment:Con Genotype=Wild-type; RAW_FILE_NAME=Con1.mzML SUBJECT_SAMPLE_FACTORS - Con2 Treatment:Con Genotype=Wild-type; RAW_FILE_NAME=Con2.mzML SUBJECT_SAMPLE_FACTORS - Con3 Treatment:Con Genotype=Wild-type; RAW_FILE_NAME=Con3.mzML SUBJECT_SAMPLE_FACTORS - Con4 Treatment:Con Genotype=Wild-type; RAW_FILE_NAME=Con4.mzML SUBJECT_SAMPLE_FACTORS - Con5 Treatment:Con Genotype=Wild-type; RAW_FILE_NAME=Con5.mzML SUBJECT_SAMPLE_FACTORS - Con6 Treatment:Con Genotype=Wild-type; RAW_FILE_NAME=Con6.mzML SUBJECT_SAMPLE_FACTORS - Con7 Treatment:Con Genotype=Wild-type; RAW_FILE_NAME=Con7.mzML SUBJECT_SAMPLE_FACTORS - Con8 Treatment:Con Genotype=Wild-type; RAW_FILE_NAME=Con8.mzML SUBJECT_SAMPLE_FACTORS - Con9 Treatment:Con Genotype=Wild-type; RAW_FILE_NAME=Con9.mzML SUBJECT_SAMPLE_FACTORS - Con10 Treatment:Con Genotype=Wild-type; RAW_FILE_NAME=Con10.mzML SUBJECT_SAMPLE_FACTORS - Con11 Treatment:Con Genotype=Wild-type; RAW_FILE_NAME=Con11.mzML SUBJECT_SAMPLE_FACTORS - Con12 Treatment:Con Genotype=Wild-type; RAW_FILE_NAME=Con12.mzML SUBJECT_SAMPLE_FACTORS - CRS1 Treatment:stress Genotype=Wild-type; RAW_FILE_NAME=CRS1.mzML SUBJECT_SAMPLE_FACTORS - CRS2 Treatment:stress Genotype=Wild-type; RAW_FILE_NAME=CRS2.mzML SUBJECT_SAMPLE_FACTORS - CRS3 Treatment:stress Genotype=Wild-type; RAW_FILE_NAME=CRS3.mzML SUBJECT_SAMPLE_FACTORS - CRS4 Treatment:stress Genotype=Wild-type; RAW_FILE_NAME=CRS4.mzML SUBJECT_SAMPLE_FACTORS - CRS5 Treatment:stress Genotype=Wild-type; RAW_FILE_NAME=CRS5.mzML SUBJECT_SAMPLE_FACTORS - CRS6 Treatment:stress Genotype=Wild-type; RAW_FILE_NAME=CRS6.mzML SUBJECT_SAMPLE_FACTORS - CRS7 Treatment:stress Genotype=Wild-type; RAW_FILE_NAME=CRS7.mzML SUBJECT_SAMPLE_FACTORS - CRS8 Treatment:stress Genotype=Wild-type; RAW_FILE_NAME=CRS8.mzML SUBJECT_SAMPLE_FACTORS - CRS9 Treatment:stress Genotype=Wild-type; RAW_FILE_NAME=CRS9.mzML SUBJECT_SAMPLE_FACTORS - CRS10 Treatment:stress Genotype=Wild-type; RAW_FILE_NAME=CRS10.mzML SUBJECT_SAMPLE_FACTORS - CRS11 Treatment:stress Genotype=Wild-type; RAW_FILE_NAME=CRS11.mzML SUBJECT_SAMPLE_FACTORS - CRS12 Treatment:stress Genotype=Wild-type; RAW_FILE_NAME=CRS12.mzML #COLLECTION CO:COLLECTION_SUMMARY To precipitate proteins, we combined 100 μl of SERUM with 800 μl of methanol, CO:COLLECTION_SUMMARY incubated at -20 for 30 min, then centrifuged at 18000 rpm for 10 min. CO:COLLECTION_SUMMARY Subsequently, 850 μl of supernatant was transferred to a new tube and CO:COLLECTION_SUMMARY evaporated to dryness in a Thermo Savant SpeedVac. Then 200 μl of resuspension CO:COLLECTION_SUMMARY solvent methanol was added, compounds were dissolved by vortexing for 5 min and CO:COLLECTION_SUMMARY samples were clarified by centrifuged at 18000 rpm for 10 min. CO:SAMPLE_TYPE Blood (serum) #TREATMENT TR:TREATMENT_SUMMARY Chronic restraint stress (RS) in mice were placed inside a plastic mouse holder TR:TREATMENT_SUMMARY for 4 h daily, from 10:00 am to 14:00 pm, and repeated for a total of 14 TR:TREATMENT_SUMMARY consecutive days. During non-stress periods, all mice were conventionally housed TR:TREATMENT_SUMMARY and allowed free access to food and water. #SAMPLEPREP SP:SAMPLEPREP_SUMMARY To precipitate proteins, we combined 200 μl SERUM with 800 μl of methanol, SP:SAMPLEPREP_SUMMARY incubated at -20 for 30 min, then centrifuged at 18000 rpm for 10 min. SP:SAMPLEPREP_SUMMARY Subsequently, 850 μl of supernatant was transferred to a new tube and SP:SAMPLEPREP_SUMMARY evaporated to dryness in a Thermo Savant SpeedVac. Then 200 μl of resuspension SP:SAMPLEPREP_SUMMARY solvent methanol was added, compounds were dissolved by vortexing for 5 min and SP:SAMPLEPREP_SUMMARY samples were clarified by centrifuged at 18000 rpm for 10 min. SP:PROCESSING_STORAGE_CONDITIONS -80℃ SP:EXTRACT_STORAGE -20℃ #CHROMATOGRAPHY CH:CHROMATOGRAPHY_TYPE Reversed phase CH:INSTRUMENT_NAME Agilent 6546 Q-TOF CH:COLUMN_NAME Waters Atlantis 3μm particle size T3 column (2.1 × 10 cm) CH:SOLVENT_A 100% water; 0.05% formic acid; 0.1% ammonium formate CH:SOLVENT_B 100% acetonitrile CH:FLOW_GRADIENT A linear gradient of 0–95% eluent B over 10min. Eluent B was held at 100% for CH:FLOW_GRADIENT 2.5 min, then brought to 5% over 0.5 min and the column was re-equilibrated at CH:FLOW_GRADIENT 0% eluent B for 4 min CH:FLOW_RATE 0.25ml/min CH:COLUMN_TEMPERATURE 40 #ANALYSIS AN:ANALYSIS_TYPE MS #MS MS:INSTRUMENT_NAME Agilent 6545 QTOF MS:INSTRUMENT_TYPE QTOF MS:MS_TYPE ESI MS:ION_MODE NEGATIVE MS:MS_COMMENTS Fast data-dependent acquisition (DDA) MS/MS experiments were performed. The MS:MS_COMMENTS Progenesis QI (Nonlinear Dynamics, Newcastle, UK) was used for peak picking and MS:MS_COMMENTS alignment to screen the metabolic biomarkers that displayed significant changes MS:MS_COMMENTS between the control and the fructose-treated group. Molecular identification of MS:MS_COMMENTS the assigned biomarkers was accomplished by matching the acquired precursors and MS:MS_COMMENTS fragment ions against several standard metabolome databases including the Human MS:MS_COMMENTS Metabolome Database (http://www.hmdb.ca/), MassBank MS:MS_COMMENTS (http://www.massbank.jp/index.html), and METLIN MS:MS_COMMENTS (http://metlin.scripps.edu/index.php). Partial metabolite identification was MS:MS_COMMENTS further confirmed by comparison with available standards. Metabolic pathway MS:MS_COMMENTS enrichment analysis of these identified metabolic biomarkers was carried out by MS:MS_COMMENTS MetaboAnalyst 3.0 #MS_METABOLITE_DATA MS_METABOLITE_DATA:UNITS Abundance MS_METABOLITE_DATA_START Samples Con1 Con2 Con3 Con4 Con5 Con6 Con7 Con8 Con9 Con10 Con11 CRS1 CRS2 CRS3 CRS4 CRS5 CRS6 CRS7 CRS8 CRS9 CRS10 CRS11 Factors Treatment:Con Treatment:Con Treatment:Con Treatment:Con Treatment:Con Treatment:Con Treatment:Con Treatment:Con Treatment:Con Treatment:Con Treatment:Con Treatment:stress Treatment:stress Treatment:stress Treatment:stress Treatment:stress Treatment:stress Treatment:stress Treatment:stress Treatment:stress Treatment:stress Treatment:stress 2-Methylthiazolidine 89057.96475 109739.6729 42070.67923 383019.7658 115820.515 145706.994 208321.6589 128913.723 163886.9402 78361.37059 161499.9933 317769.9873 93687.07605 36002.08362 68970.907 415250.1989 168344.7445 120227.0242 137547.2918 79102.45425 67118.78359 113591.5009 7-epi Jasmonic Acid 608659.3473 765095.064 1364395.539 75908.36705 194763.9258 505986.2258 98944.85207 349455.3584 531494.1922 475798.6125 569755.3722 1026301.885 976613.992 1163092.013 899481.8618 918178.0699 1060000.882 977672.5009 838412.3028 901780.6066 789088.2425 783432.5028 12,13-DiHOME 3117225.661 2987625.533 5012858.798 505276.6844 2326740.302 4545846.073 5017374.496 4077973.752 2558192.892 3705646.873 5203674.831 3932620.782 6411078.161 4266262.574 4357810.224 2816190.437 2161197.223 2933695.069 2202100.137 4264374.738 3396899.399 3253023.79 (24S)-24,25-dihydroxyvitamin D3 45349.05013 178378.8317 38939.62567 21973.81797 134975.8168 171517.248 102741.2365 126944.861 133628.7781 49945.11411 143145.6368 538917.1222 382394.0293 556611.021 289994.5536 543216.1072 191192.3086 335540.903 284439.8234 280991.9301 248529.7296 288234.0393 1,4-Methylimidazoleacetic acid 3357446.477 3587102.364 5259364.826 1390933.579 973753.0455 873852.6491 1053214.137 1154864.594 1260641.579 1520360.185 1075129.614 1386305.831 1138985.777 1784953.745 1272549.99 1216089.974 1657465.131 3252405.357 2346484.277 1384926.982 1355075.173 2110148.799 1-AMINOCYCLOBUTANE CARBOXYLIC ACID 2143261.242 1617486.983 1717149.263 3968460.36 1713220.118 1622403.259 1827813.604 1982166.506 1913181.912 2097089.123 1617427.911 1458093.338 1243682.385 1302893.239 2165985.885 2171431.461 1651808.67 2459990.205 1522316 1708190.188 1791780.353 2192719.67 1-heptadecanoyl-sn-glycero-3-phosphocholine 4323846.316 4398472.971 13205087.3 6097565.387 11551384.56 11583438.67 2455246.353 10191634.73 6685609.712 4790386.611 3380765.013 2426943.742 16727970.91 5412591.672 5509790.85 5359271.569 27233730.01 2686873.454 8020292.17 9306847.454 4757902.905 3454793.829 hydroxyvitamin D3 586581.1606 1142704.344 219110.8326 347553.7231 1334939.778 1660956.281 746770.3366 1434954.706 1577823.933 412738.683 1767672.176 4250602.19 3079205.773 3962294.721 3054214.682 3159346.651 2029528.778 2883276.252 3403151.969 2878863.417 1908148.236 3398368.684 2,4-Dimethyl-1H-indole 98258.26879 188308.8046 379841.3349 108246.2043 197662.0097 87667.91983 130109.5206 141357.2761 120248.1842 175106.1027 136578.4372 179339.7972 182383.6245 230002.3465 159765.4626 198925.0454 141891.2374 305201.1561 210512.3901 123228.0205 124427.293 231326.4416 2,5-Dimethylbenzaldehyde 3416530.398 3491355.018 2928483.931 4049878.717 3641698.241 3321300.606 3630697.073 3172604.014 3873645.164 4219729.694 4750641.439 4228747.161 2917756.362 4121257.362 4343732.003 3422738.533 4232115.367 4453355.747 3056692.065 4846182.88 4553545.185 5240222.45 2-Acetylpyrrolidine 2026055.625 2617798.616 2676606.411 1550071.308 2576011.004 1017540.877 1968576.089 1220497.958 1341078.089 1264975.158 1218515.678 1112067.62 1182118.451 1180677.392 1104625.307 1295577.159 1257310.912 1457761.73 2303524.321 1763333.048 2014207.628 1413174.928 2-Methyl-1-Pyrroline 800579.3111 906118.1536 441032.8658 2080179.228 1275821.797 880268.18 1102951.646 884580.9191 795337.3887 988794.5693 944569.3758 822877.2839 635359.0657 569440.2311 783951.4094 1019798.187 919269.6489 658825.8779 706571.0719 997792.9036 865776.7451 596923.7381 2-O-ethyl PAF C-16 838381.194 967659.4946 3701094.793 2025563.437 2644093.818 2537123.274 209408.3119 1302223.838 742979.6649 765322.292 492976.6121 170820.5445 1221355.138 455874.5705 212884.081 400781.1853 1906132.783 886216.4743 284313.1091 1199662.638 662669.542 918454.3448 2-Pyrrolidone-5-carboxylic acid, methyl ester 283417.0445 294124.4802 257904.8068 683761.5644 396766.6697 287476.4707 371847.4863 321964.4125 367829.8906 338107.4723 298345.206 585856.8331 234379.026 279341.5037 243662.9577 678630.6841 397081.2263 379123.8425 318573.7933 331745.9182 265232.8595 326827.0715 3-Formyl-6-hydroxyindole 17191258.89 18336988.41 25784577.95 5461249.309 21745419.53 14918021.68 17358340.13 15276381.94 18015523.25 12606108.44 14454360.14 17547457.53 18137329.9 21302885.44 18614336.95 19699205.24 20329121.54 21929132.98 21843560.33 18053524.11 18649060.23 17348760.44 3-Indolepropionic acid 585385.0185 1702221.814 660333.0798 1723968.273 2120204.373 507741.5442 1548985.4 640264.7082 413562.6205 327778.6181 484860.6477 479680.8405 283447.2955 397745.5067 364613.8278 502777.6356 384892.5973 537443.3718 510631.7306 243863.0503 675973.8288 517911.7224 3-Methyleneoxindole 1075606.826 1661613.387 884251.7969 215597.6271 1784057.153 782029.9333 918592.2644 1052758.186 1225030.553 1688131.568 1127174.137 549063.7618 1511514.69 895817.962 448367.94 587134.5636 795919.0083 807762.9535 925638.9208 979220.4932 935999.0355 404805.7232 3-Oxocholic acid 23588246.33 39592524.69 9893826.297 17155789.02 8446331.771 9321094.648 12697881.05 15234084.68 8521481.164 38474473.68 9941409.665 5043758.804 8348854.189 10824040.09 12048471.25 12011396.19 8196084.576 8011406.762 7078204.585 26578866.09 10752932.47 16693181.76 3-Phenylpropyl formate 106444.3459 124539.8809 313423.0989 0 301868.3809 106354.1662 238240.2418 167107.1456 156390.978 156531.2861 76788.11309 199897.2001 153265.8158 199937.7809 199292.6856 213806.9087 202580.4275 259707.6893 205403.2947 194772.3175 146203.3255 144001.2105 4-hydroxyestradiol 5880704.571 34949223.12 710587.6924 27259910.67 79944063.78 29590466.75 79670432.33 48564701.05 59353649.38 60928.49751 25617624.96 33307.97868 14822.7153 43116.85243 18525.98459 32220.92083 17747.74451 2308125.02 64528989.52 26197.09497 115155.2177 57128856.35 4-Hydroxyindole 382629.7851 400980.855 519833.407 32343.35181 470971.0436 231240.7121 348298.2463 300650.0237 387476.2149 225040.9521 276083.8328 423262.2188 415315.3161 509956.7781 468750.4455 505111.0838 502774.9323 523104.9005 553069.3143 482675.625 466789.8488 361158.5861 4-Methyl-5-thiazoleethanol 353552.6816 1372832.439 14361579.59 6787379.069 32837325.73 458264.9593 8596740.873 270585.2669 1218149.939 248061.9421 467650.8625 249175.8364 192133.0852 329691.5448 270161.8082 221681.6741 260161.238 266624.4223 371183.5376 203872.7802 368771.8119 448018.4889 4-Methylhistamine 1357977.526 1106409.189 648615.474 204283.2907 229102.1101 296730.159 266440.2592 332012.7486 309496.5464 103493.6208 303402.4984 1660983.44 1357274.153 1474758.173 547852.5425 947519.9529 569501.1098 534075.9063 851477.3351 885761.3934 612320.2301 540055.7313 4-Pyrimidine Methanamine 49404.6559 154903.3205 334079.8774 291705.0361 234184.1072 262906.0634 234648.4534 257415.5685 262241.2408 285838.7555 316340.1795 293533.6766 342322.3953 273727.0681 349865.8636 324342.7073 320571.5871 348992.5236 256603.4712 315093.09 274819.2144 283788.6384 5(S)-HpEPE 1991306.958 2028141.776 971938.6534 844132.9864 620638.0345 1373134.852 605914.0716 921288.49 789239.4225 681018.8168 1462432.587 2113801.185 1475212.315 1450370.581 1211825.501 1463463.317 972265.8691 618081.0249 950902.1133 1039283.9 701140.2005 344538.3676 Deoxy-5(methylthio)adenosine 0 4472.253135 841158.342 0 4705.122282 424219.6378 2415.141329 145880.7393 8969.863234 517292.5919 350319.4698 31305.10796 858473.4232 942364.9644 1155988.686 0 1103250.503 0 122904.1965 1406229.938 1263522.141 0 5-Hydroxyindoleacetic acid 7611712.395 8963619.524 15140182.96 969764.4242 3759282.679 6308655.204 2868135.591 5855432.42 5800587.94 5738662.545 6725182.118 12501570.59 13722546.78 16096949.45 12666831.18 11623584.11 13248531.31 15188975.42 15096990.4 11536911.58 10761861.19 10103545.99 5-Methoxy-DL-tryptophan 729495.2806 925462.7793 1408069.882 78391.38164 340031.4333 558240.2913 306760.6176 459760.4021 672584.7325 506432.1234 639889.2853 901663.7326 1075460.547 1088968.28 925313.5456 966214.1597 992983.8672 1116798.101 1065950.286 883858.9479 876082.274 1156866.209 5-Phenylvaleric acid 291539.9813 374770.5943 654638.6695 516798.649 513898.649 224965.8087 433566.0316 287610.3535 252790.4942 299041.1363 208201.4321 456597.804 348085.4827 489145.0948 457571.0442 454223.3778 469124.72 542255.6905 474653.406 452131.1216 339983.7353 372535.7585 6-Tridecynoic acid 1799315.673 2135573.823 2177521.685 4332273.142 2512567.325 3758835.03 3206403.922 2437180.034 2816421.734 3482505.082 2157414.8 2362474.183 3124250.337 3610728.791 2388675.215 1964848.174 1899120.497 2952988.526 1744572.829 2584365.583 2024699.257 10526049.31 6,12-Dihydroxy-3-oxochol-4-en-24-oic Acid 2041183.375 2242499.121 2624511.201 3848617.167 1767577.684 1833287.55 2626627.8 2219157.672 2267339.07 4760628.567 1977283.561 1183975.95 1290521.77 1178405.275 1069365.076 1512118.197 1555893.583 1722462.166 1572405.766 1739228.942 1222560.361 1808865.089 7-dehydrocholesterol 7599435.866 9350276.575 7731550.698 3648817.68 11346227.8 13371463.45 5356945.998 12407454.2 15194094.71 4459427.665 14028855.37 33285009.25 25781336.06 29828949.5 31167196.19 27385840.95 19397707.82 26950726.43 25053463.92 22462319.47 20085943.43 26200203.13 9,10-epoxy-13-hydroxy-11-octadecenoic acid 2458823.3 4209653.206 3474746.506 837577.0193 1387820.318 3092654.595 2227658.023 3176653.623 2678502.645 1127380.668 3846225.911 8370974.313 6128430.466 5722585.684 6351189.244 7503754.295 5320543.653 5787949.934 8060501.475 5191373.382 5656795.804 4189878.842 11-hydroxy-9-octadecenoic acid 2143769.066 2407634.125 2793291.832 362341.4171 789065.517 1056140.375 982528.6806 882546.2371 762358.0303 1075417.418 1492971.033 5616883.834 4898898.792 3401641.307 6817471.852 7472286.75 5617541.811 7897750.775 6733124.801 5059862.274 4393386.083 4302030.487 13(S)-HODE 2748211.916 5180660.897 3144098.913 1050483.37 2272449.824 3275790.845 2978455.471 3312885.586 2660305.848 1972118.829 3787730.031 9437919.039 6367640.671 7011180.96 8598512.117 11545503.1 6566428.596 7792737.061 10318610.64 6930254.181 6009264.402 5292221.97 15(R),19(R)-hydroxy Prostaglandin E1 7793981.697 10860929.5 7274715.008 6167445.668 3693314.449 5442945.481 5017433.117 5652252.806 4604679.848 5782717.854 5927525.529 12697755.97 8600265.564 9466264.322 9222328.461 11809823.49 7541788.753 8176051.379 9531155.327 7695141.526 7426375.734 6035373.617 19(R)-hydroxy-PGE1 3097078.652 3518609.142 2374900.979 5533592.671 1937825.645 2101591.318 2138468.814 2243542.409 2214733.091 2775876.136 2383455.059 3301293.209 2641101.405 3184785.788 2539988.616 4072797.089 2554988.708 2505412.879 2646086.935 2600508.471 2176275.15 2359149.662 Acetylcholine 2713944.449 1828331.896 6348200.919 4776258.292 1717704.195 1637965.235 4472343.509 1833499.358 2293851.321 7805338.92 1969812.8 2967037.014 2167998.438 1071548.409 1377588.402 1797433.697 2965413.496 3852574.349 2548037.555 2141664.971 2246770.655 4871324.322 alpha-Methylstyrene 11750117.27 12234369.05 10662198.9 14120357.93 13058359.4 11655573.92 12909837.87 11168150.74 13447693.59 14403983.83 9684466.33 14642340.43 9971706.579 14538382.43 14999288.8 12057146.45 14781101.13 15109544.5 10438258.58 16235659.95 15342732.48 18523789.54 Benzaldehyde 997859.6712 717127.5366 502226.4516 1536693.56 886209.2442 1060127.722 902189.3858 1194994.564 668596.1356 1371185.355 1203802.639 1040381.144 982262.9291 723548.4524 929209.7573 1339666.116 1001499.601 1018356.838 863534.6819 1252468.126 1119690.495 918153.8134 Benzene 224981.6329 173435.9185 85357.53992 330341.2329 194666.5888 231985.1477 217118.1941 276327.5763 131072.3848 307568.7696 258755.8933 263667.1602 217482.8096 161432.7127 230254.2471 329198.123 242333.4414 213905.4046 173608.9943 312604.0562 258009.6688 189797.7786 Caffeine 804300.1504 2339850.438 1185663.995 2778727.299 2586346.162 616916.8684 2149571.195 810229.3883 553146.0848 549138.4106 506056.171 545466.0851 416350.6921 666524.9359 439507.2419 561284.7531 437191.9834 846189.514 531424.5808 279994.4613 1094702.878 746381.1211 Carbaryl 12383614.48 17054237.35 20174495.98 16130268.21 18042072.13 14041392.16 15429548.53 13923817.55 14772372.7 16782324.85 14137584.43 13609765.76 15159255.77 18306558.59 17270567.09 15758855.05 14734856.75 18464692.38 15079747.38 13657587.18 12169266.28 17770210.17 Choline 10960101.92 12641518.02 9523237.217 39471570.15 15558857.01 10645703.36 20825048.5 13692569.33 18299925.73 2507270.58 11392696.04 31279251.38 18187312.33 13788527.58 7778118.935 21004790.81 17993026.18 10937422.88 15408822.42 15201724.45 3977679.784 8358640.159 CITROPTEN 105731.9657 356026.4227 150206.1061 426535.7785 373192.1986 59535.3838 328063.7882 138976.1304 61302.3128 12242.18083 45153.36104 55724.48375 12072.2253 79971.7149 22270.79333 90241.81054 33802.37891 97706.31231 69634.88005 0 175819.2674 75689.15887 Daidzein 7508786.635 3797368.729 2160444.199 3967826.004 162947.7634 2036177.506 220039.4169 2463430.905 1882295.585 734496.7747 1739515.628 989190.7932 2341433.265 1637602.097 1082342.824 1325928.277 2523314.91 1104490.147 2048424.041 2875548.705 1479276.9 1519784.12 delta2-THA 3021704.837 3610904.625 3532912.698 1566058.835 3926276.341 3210655.087 4067847.117 4382553.185 3189497.584 4893751.566 3741953.42 1789215.913 5412020.071 1297930.335 4035380.306 3001424.212 2909918.985 3129777.135 2905724.486 2738968.331 3215444.481 3628150.335 DICTAMNINE 9410444.398 21724264.53 20699564.69 37414269.77 52703664.73 15270319.49 42628199.21 20537851.32 15830259.15 7642569.892 14475363.29 11780754.75 9135507.461 12667959.82 8744439.459 14021579.31 10658617.54 18857048.06 15156574.44 5491771.846 25172170.18 17190741.83 Diferuloylputrescine 13596319.04 14515644.03 4009034.282 21585791.42 1185038.597 1720458.796 6041352.987 2247045.902 4148324.066 5204406.12 1684368.467 234589.7628 6696571.081 1667031.073 253794.3258 2155451.857 7821362.373 7549831.585 1754351.751 369077.2775 803926.3835 3236367.116 DL-Phenylalanine 51538748.58 38938221.53 28482060.26 82805861.51 48965848.77 57851032.84 48983197.6 62659726.69 37893209.17 72261328.88 63365219 55573414.62 51053710.74 39455171.12 49897214.18 69289718.2 54490362.81 55447574.59 45059715.58 64359213.97 59207261.27 47508267.61 D-Lysine 1964770.853 1965361.571 1122110.52 6494111.493 2180541.699 2503757.531 2689694.617 2598879.95 2139343.234 3595321.158 2755256.153 2298094.356 1601512.914 1094461.371 2229515.085 2979488.065 2738963.297 2038641.53 1884754.491 3079743.555 2482418.156 1662388.901 Docosahexaenoyl PAF C-16 0 1128.048247 392.1507646 0 0 0 0 0 102.930335 0 0 814.0330019 0 1479.465981 175.7430735 0 5327.774723 10158.90172 4109.338941 0 150034.1039 56009.42983 D-Pipecolic acid 622809.4786 599622.6939 406332.9195 2050080.572 667093.4644 810241.3325 838527.1372 827011.8502 728647.0372 1116034.475 884312.5926 745214.5918 533921.1931 467747.5711 798139.6685 1058437.573 880310.2605 722064.1041 637180.5628 1027577.326 916740.8599 621535.5215 Eremopetasidione 702968.6569 1146912.707 532908.9362 520447.3317 138502.4989 24139.42887 218786.7839 365855.343 138954.8623 8263.787772 37207.33497 11595.94993 8701.787285 25825.62618 0 29703.86742 0 27955.54957 57968.22067 50239.55127 61299.65005 14286.12954 Gabapentin 0 0 0 690.8322547 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 5200.183819 Glu Leu Arg 1557861.394 1279719.351 632627.6936 9297424.426 1307913.837 1152407.46 909972.1401 1159877.069 987464.1011 873466.5219 1115591.517 1318077.803 946447.8157 2158717.734 1043911.076 5607543.707 4362816.55 2523270.71 5029345.412 1287791.734 1270317.385 6497598.288 Gly Val Val 466105.2016 584325.5699 49199.44964 904974.2892 744165.7028 1029936.133 896852.2184 1046062.146 920627.1866 679028.7517 1081225.483 702647.3556 949951.6146 677785.778 754261.5643 468380.3716 657700.6012 159663.4745 720387.6489 897131.5798 987145.7603 481929.2168 His Lys 292259.2084 199134.5401 1155635.655 1536110.801 377366.0013 285555.6636 566634.2291 392378.673 286545.8874 359147.582 328431.165 548152.5109 203633.6296 305350.2201 177634.6544 272683.5621 230701.1628 138956.1741 237604.4849 381360.2613 429226.0099 954639.2987 Histamine 640299.129 411798.0565 2216280.827 181816.9129 355739.351 2464573.922 326906.2742 1869960.089 2060180.707 449733.2393 2392308.926 1701168.414 4723330.541 4713688.839 4058506.629 577848.2298 756912.5536 450799.7754 412398.3646 998376.9516 1518136.002 507113.0912 Ile Ile Leu 868119.949 690323.8296 443111.3307 514600.1624 901652.5119 1894810.306 836048.189 1640222.234 1354058.081 1796787.832 2006547.068 1423378.674 2089467.704 1356895.591 1552180.863 869871.2179 1249485.807 447266.7482 1298581.337 1582616.178 1482286.962 721676.6004 Indole-3-carboxaldehyde 5683948.682 6516601.963 10968616.22 804893.3051 2594822.247 4614873.768 2058511.506 4358604.367 4207662.694 4183035.584 5056461.629 9443224.368 10245787.55 12104161.76 9660965.008 8919546.273 10212787.21 11527382.15 11906846.41 8982507.954 8698951.085 7801575.061 Indole-3-carboxylic acid 0 0 0 0 8745.926412 187251.6104 0 24567.04662 59427.01949 0 192634.0468 207484.2898 200139.0935 260985.9327 30639.62136 0 44867.70252 0 13952.7591 16818.87158 0 0 Indoleacetaldehyde 414473.7519 606607.5283 733776.7124 627204.4812 602875.79 506011.2746 538659.5874 461157.9713 501806.3843 655449.5113 516020.5475 539734.2639 577983.3705 664486.3935 614919.0904 597442.0904 515805.95 723752.914 657412.5128 542578.296 455447.478 677574.7316 L-2-Methyltryptophan 11337162.85 15767990.96 19393686.46 15516484.82 17478973.41 13327152.56 14903139.09 13245466.2 14197685.39 16039203.58 13475991.44 12853473.73 14487952.76 17496742.98 16519022.63 14955501.07 14107700.72 17551035.68 14295746.66 12879735.34 11399305.42 16725876.67 L-Arginine 4169820.132 5497066.696 638528.987 10676756.8 5885139.389 6430426.596 6930396.862 5285787.156 4308597.044 2807425.095 6752341.665 3525804.203 4096414.321 2802794.051 5260139.935 5783669.263 5149617.835 3098446.459 3122114.732 4616638.494 4433951.402 3313303.108 L-Carnitine 3507923.433 2681153.137 4657485.239 8878834.528 2760333.355 3217306.547 4162737.02 2698167.84 4539159.155 3090000.747 3622783.365 6077706.19 2761601.34 4277997.242 4006328.588 6231235.398 6217100.107 7049697.777 4971333.18 4921893.383 3971632.301 8056034.721 L-Histidine 826686.9327 640055.5691 442626.0193 2420942.391 520290.9873 614593.9806 804804.3533 599333.4824 660928.5862 994645.5736 709841.0309 892140.4905 713304.884 461449.5836 726184.6031 1080728.431 842155.9743 936383.3293 716211.6444 917388.8176 773508.5299 1008237.137 L-Isoleucine 32554.50375 106896.6509 25466.48983 288052.7871 457174.7866 276570.0481 568465.3392 370432.6389 397913.9508 195339.2336 404310.054 724923.3032 287331.9594 223731.0961 241149.5922 540047.7708 266502.4167 181077.1172 282644.1884 298898.9493 229132.5501 156951.1515 L-Methionine 169698.2901 230809.3313 68092.22165 670529.3697 205652.8776 258820.0276 300673.8225 319412.2367 219233.7131 269647.423 246263.3257 566196.9655 147896.1104 141273.6419 153747.1323 606309.2903 399562.341 301950.9195 265771.0372 252533.0302 177423.805 186285.7923 L-Proline 1842528.707 2162488.728 1022237.103 3270614.605 3030896.081 3524595.147 3901050.048 3638150.584 3239771.098 4923198.748 3778510.39 3810418.247 3012047.284 2707428.25 2877701.094 3662972.851 3276770.578 2368478.072 3310436.146 4235438.415 2679190.165 2378828.834 L-Tryptophan 10571562.93 10281115.65 6246019.861 25793796.66 12115089.88 12272721.06 15027106.71 13980331.42 10387932.45 15710214.34 12932683.15 11472631.21 9839791.78 8246328.192 10287894.12 13908880.63 11720575.39 11482709.68 9400168.897 13525148.08 11087667.59 10046801.23 L-Tyrosine 0 0 3555.029079 0 0 1637.280139 9555.092295 10880.6698 7900.264205 0 20907.91193 7771.385866 0 15388.55777 0 7765.978571 0 1630.766339 0 0 1287.688819 0 Lumichrome 1299289.581 1679329.001 257276.7119 113478.6529 548380.9106 1338941.149 121403.0967 481255.796 803307.7739 275849.7051 1307707.4 1645979.581 347898.6292 262796.4923 0 195987.3371 341446.1968 388040.2381 79909.57658 1025324.21 477257.5156 444727.9995 Lys Phe 1750438.369 1273746.23 1617599.339 1223916.896 1633119.149 1999074.225 1758944.086 1474537.15 1374564.147 1562528.612 2012135.451 2611347.959 2442855.176 2438234.9 1583088.383 1915270.472 1831308.534 1312613.735 1414890.627 1753764.911 1436600.59 1107827.816 LysoPC(18:0) 2091118.318 56300485.62 50566609.86 105299697.9 35637701.72 79068206.23 21359673.05 3805720.755 30065625.14 12917971.14 8628110.164 10152576.41 2736986.214 19291862.41 6262010.543 4764635.372 4777959.444 14761034.08 2051075.508 7034291.995 6030123.303 3856321.564 Melatonin 2880143.267 4224320.698 6230447.142 2891938.913 4227270.07 3212787.843 3456101.119 3100714.1 3141599.496 4071037.988 3254413.466 3504440.056 3544866.568 4360001.861 4180070.186 3941375.777 3314847.419 5172944.233 3464371.269 2820950.385 2961368.12 4720748.598 Met Val 896022.5062 612034.8312 418855.4005 232563.4637 506094.1973 1111859.661 641518.9277 727985.4771 1420940.318 1479324.572 1065894.071 1014649.727 1508394.295 821271.2792 1059671.051 227915.5209 518709.5347 373426.1108 869155.7325 628402.8838 1007067.904 397119.1469 Methenamine 1030907.735 1136895.182 987653.2474 1232362.604 1024913.986 902302.2871 897963.3217 919520.4968 997635.5284 917784.7842 1033828.811 1217697.242 1142517.815 1328582.695 1154144.71 1194213.757 1072335.669 1188208.036 972770.6026 987788.7269 906129.1757 920618.7058 Methylpyrazine 1041066.121 855247.6399 1621529.891 186067.0439 517976.0002 1453883.941 431955.0387 1111110.324 1355643.635 692746.2515 1459393.785 1057131.648 2090554.28 2214608.155 2165952.052 669322.4958 859741.2658 693236.5188 607122.4248 881286.4199 1063674.773 539962.0124 N,N'-Dicyclohexylurea 1382000.845 4429687.03 2865333.942 5355121.343 5513017.925 1633052.218 3427136.325 1707610.551 1309559.945 958194.2744 1615964.175 1808609.872 1717762.595 1756199.053 1329630.303 1635302.995 1511884.183 1953717.005 1587102.662 1733923.473 2694120.929 941596.8584 N1-Acetylspermidine 1738067.87 1997343.57 1553293.463 875390.1283 1815960.07 2463839.703 1185958.461 2674424.214 3388604.424 2727013.143 2522149.714 3082254.325 1636813.316 2044531.426 2154854.135 2702301.505 2850302.808 1220684.24 1593311.297 1621370.677 2493433.232 882249.738 N-Acetyl-DL-methionine 1757953.499 2041924.027 1551167.652 4165589.48 2309280.37 1986246.05 2201831.406 2259227.194 2088864.229 2121436.309 2106856.129 3529486.509 1628236.29 1706707.841 1687541.619 3886699.809 2590577.562 2461797.709 2180752.586 1922768.353 1811184.907 2080213.384 N-Acetyltyramine 551054.2981 571765.1795 1202883.121 1833714.57 649426.6141 802910.2267 1151177.073 901261.0704 1261364.749 2653051.108 924439.4414 425485.3887 798917.8299 489423.835 740837.0484 714145.055 873711.4948 1126758.567 1183132.067 1022665.322 790656.9302 1201571.118 N-decanoyl-L-Homoserine lactone 541001.9638 618010.7475 958301.1522 0 714854.1351 618115.877 464018.8204 622331.2789 816187.2815 405596.1326 710325.8283 989742.6468 1103951.41 1373024.979 1048231.18 988799.8686 1164469.369 1168778.554 1395088.438 1136329.745 1027884.694 888721.8908 N-methylundec-10-enamide 150797.3067 83781.14046 30507.73468 226710.9991 110429.8454 106537.4933 123831.2829 62335.35682 60998.09914 211838.7401 54136.44892 87295.71827 97805.18581 98384.58104 82167.61914 74096.00353 88635.1792 301399.0127 33259.24127 163309.1608 130798.2495 809532.0555 Oxindole 1168490.211 1803111.606 1665658.405 919352.1877 1179110.096 1328716.892 1775042.929 1268680.925 1271204.621 1848877.615 1454871.912 1390513.644 867610.8244 870927.3216 1431995.79 1218509.454 975493.3102 879029.1699 894783.8134 853200.5147 19592.19495 868398.1059 p-Acetamidophenol 204291.4187 367471.2077 8643.95919 13087.11937 0 127482.9909 4144.43968 209918.5659 146326.5529 50529.68251 154603.1825 107059.4116 72961.50856 381330.2419 10475.37411 44825.43295 198585.29 10176.33401 71293.64348 97952.84439 147366.9207 25007.86112 Pantothenic Acid 12292648.68 10764245.9 14036135.51 14745426.91 7765884.186 7377132.796 6515965.534 6467072.767 6922761.795 13833241.29 7015028.559 10501867.23 9403860.631 13324546.87 16958513.48 14663542.1 16246109.11 20789039.79 11025831.78 10316281.72 13516622.94 21535508.39 p-CHLOROPHENYLALANINE 5980412.798 8061715.001 9465443.523 12439841.15 9988500.195 8288175.061 8623303.359 8222838.07 8407732.321 9158669.25 8386547.212 8406068.554 8780583.342 9343981.822 9295438.606 9074977.354 8561722.396 9532516.834 8681190.654 7659297.791 8304250.224 9327018.281 Phenethylamine glucuronide 4217063.315 3174467.278 2669188.341 2775766.41 2015125.686 8882231.073 4317820.903 6121363.174 4753115.385 15706289.9 8584413.674 4315009.75 8557588.191 6124889.257 12964402.39 7575178.398 4544383.367 10149095.15 7004141.825 7510811.635 7766387.627 7109504.204 Pro Pro Pro 486877.6446 145817.4653 571912.7739 525729.7114 408340.4791 375025.7242 382756.9729 328038.1703 548713.3492 483061.9854 457259.6294 1763183.237 812055.2177 632404.5585 335121.94 759126.1109 877733.8302 1045499.914 716451.8322 536342.7102 504086.9163 899873.4402 Propamocarb 685983.5798 594642.6177 949850.7232 1353300.385 412124.6331 455162.5216 596911.4818 390924.3836 436205.9109 616180.8745 441826.9769 714663.5448 487467.0763 1368920.774 855500.1388 799797.7036 770468.1363 1171361.107 700719.2167 621422.0597 1006782.002 791046.4683 Prostaglandin I2 1864397.92 2494361.092 2764194.847 3818874.092 1515875.295 1709279.892 1981212.98 1724077.725 1853279 2054774.846 1611217.49 1999182.488 1502418.321 1548079.388 1535617.009 2021465.311 1526729.03 1571186.422 1614168.09 1677948.891 1632204.375 1917967.895 Psoralen 2214612.348 4621427.905 2308101.128 5104688.432 6498445.51 1638709.496 5667049.279 2519260.045 1822474.935 851306.0797 1578832.254 1394057.234 845889.4031 1721914.395 1084626.026 1806228.165 1079053.682 1797660.053 1551268.585 475195.2835 2477345.303 2411582.213 Pyroquilon 1996102.907 1924019.56 438473.1101 135508.1381 6799.153476 7205.417325 23733.90363 318994.6756 115656.8136 4022.229597 7526.405334 33900.33016 17234.36115 0 8730.493855 156417.5611 12511.17458 5940.915003 92303.08328 4703.290212 2835.106393 227807.1028 Riboflavin 1047711.956 829519.9496 1056618.261 707905.4861 401996.377 345450.0218 733494.2015 287038.402 513694.452 761930.1429 383259.3315 1274947.453 447875.2455 674160.5459 730136.4813 1281642.521 1262755.339 1264594.072 728523.9524 520858.0334 918968.5957 1426724.382 Ricinoleic Acid methyl ester 7583.314528 0 6182.948999 5639.358735 13242.19564 57989.7355 455646.5864 541240.5828 437222.0473 753205.8263 916659.7305 949889.8046 1118872.686 907288.9819 1225660.945 1251668.076 1076457.883 1625936.643 1715683.674 1585621.115 1809753.61 1656171.271 Spermidine 1005309.103 3451264.193 484083.4126 1177582.27 9805930.72 1586675.937 3756551.215 2423828.168 2181965.189 456985.9443 1564595.369 1570021.628 1386293.365 1561591.933 1361794.742 1306567.937 1885988.377 733030.1611 949388.6263 1130236.357 1130980.604 611441.2648 Taurine 1533198.078 1347674.185 1026790.013 2192347.189 479307.0671 866459.5953 939763.4078 792690.5751 1025519.564 886671.1839 866668.2416 975869.5998 780504.3358 783174.4383 994186.6239 1327305.404 916580.063 1026598.768 875347.174 1038531.015 864137.9136 1718249.034 tetranor-12(S)-HETE 402703.9713 819668.4065 1248447.995 53595.05831 908464.6289 373960.5595 589457.9993 351494.2159 252958.3947 358086.6619 435750.3399 951657.3538 542737.0483 974135.547 1093353.238 1470654.25 1092659.555 1794315.532 1120806.729 841636.5975 1656714.88 993085.3169 Thiamine 3452964.83 2984994.969 38412.39805 329010.1403 1985277.026 5222519.306 2779975.337 3804185.443 5249942.797 3521573.519 4836061.562 4522032.581 5282875.675 8478082.766 5431836.843 2769582.226 4138406.571 5909342.074 4642603.31 4298829.533 4902308.769 6357133.672 Thymidine 229352.8293 140402.4965 160597.0227 192029.1423 89240.61649 216309.192 111374.4007 72529.58317 213465.1686 268307.088 263804.5714 353593.5151 267356.6195 420321.207 78770.80058 150330.0758 157356.8412 391315.0021 98781.14131 82773.71612 152560.1499 278714.9751 Thymine 1057507.839 201049.5312 526810.2852 255444.3037 422530.0815 1270835.297 594976.2994 443654.5607 1164094.165 1306166.93 1435018.666 1804720.605 1564803.757 2468967.292 385525.8773 708648.0652 751153.1395 2056853.412 488773.9632 511808.0093 822613.9185 1470545.035 Toluene 347485.7353 232404.3539 131629.823 507773.9579 342774.5864 384920.879 304864.2802 397106.4888 234602.9103 452684.3796 400337.3782 343482.9436 373174.7003 243477.7574 334115.4708 481422.3646 332969.4042 364869.8594 299302.5891 471044.7669 404364.6447 301127.175 trans-Cinnamic acid 2023020.892 1420521.691 1113847.617 3301016.961 1857832.527 2241422.166 1922970.706 2595627.689 1475610.544 3003328.652 2566024.203 2299090.697 2047877.166 1536553.234 1961269.388 2886351.783 2224882.46 2194797.664 1798442.472 2665085.261 2303773.909 1935386.412 Val Val 2495575.147 1879638.714 1939075.974 2997043.923 2582972.1 4138645.787 2718574.408 3297126.613 6541654.042 7605461.064 4411938.784 5213329.629 6037250.294 3446971.743 3299417.289 2066785.14 2993193.898 1886606.028 3787756.486 3748569.491 4359922.808 2724284.48 CYANO-3-HYDROXYCINNAMIC ACID 267463.8315 393129.4953 412163.1684 170588.1728 87398.69329 287848.2602 61158.51793 218470.0386 239898.7893 216372.7714 316704.4941 418006.2 332773.8649 454439.703 418650.8542 409928.1519 416610.5648 463040.4744 508379.2347 335371.3626 440736.94 400422.5166 PHENYL-gamma-Aminobutyric Acid 2412779.176 2784579.571 3051617.698 4345521.262 2221508.094 2695607.873 3063767.093 2721768.316 2531709.349 7841036.388 3009251.76 1515946.519 2529657.326 1234581.493 2281602.58 2295197.148 2269928.062 2936860.1 3336591.994 2936344.078 1546110.575 2691791.281 Valerolactam 2047357.263 2005638.534 3716103.55 1608816.974 1633210.749 1626176.168 1594220.602 1992642.083 2118509.159 2175866.704 1523669.892 1507324.094 1423920.221 2929495.422 2286201.619 2723596.928 2409062.615 3504560.791 1753174.314 1646602.835 3180214.751 2794846.89 MS_METABOLITE_DATA_END #METABOLITES METABOLITES_START metabolite_name 2-Methylthiazolidine 7-epi Jasmonic Acid 12,13-DiHOME (24S)-24,25-dihydroxyvitamin D3 1,4-Methylimidazoleacetic acid 1-AMINOCYCLOBUTANE CARBOXYLIC ACID 1-heptadecanoyl-sn-glycero-3-phosphocholine hydroxyvitamin D3 2,4-Dimethyl-1H-indole 2,5-Dimethylbenzaldehyde 2-Acetylpyrrolidine 2-Methyl-1-Pyrroline 2-O-ethyl PAF C-16 2-Pyrrolidone-5-carboxylic acid, methyl ester 3-Formyl-6-hydroxyindole 3-Indolepropionic acid 3-Methyleneoxindole 3-Oxocholic acid 3-Phenylpropyl formate 4-hydroxyestradiol 4-Hydroxyindole 4-Methyl-5-thiazoleethanol 4-Methylhistamine 4-Pyrimidine Methanamine 5(S)-HpEPE Deoxy-5(methylthio)adenosine 5-Hydroxyindoleacetic acid 5-Methoxy-DL-tryptophan 5-Phenylvaleric acid 6-Tridecynoic acid 6,12-Dihydroxy-3-oxochol-4-en-24-oic Acid 7-dehydrocholesterol 9,10-epoxy-13-hydroxy-11-octadecenoic acid 11-hydroxy-9-octadecenoic acid 13(S)-HODE 15(R),19(R)-hydroxy Prostaglandin E1 19(R)-hydroxy-PGE1 Acetylcholine alpha-Methylstyrene Benzaldehyde Benzene Caffeine Carbaryl Choline CITROPTEN Daidzein delta2-THA DICTAMNINE Diferuloylputrescine DL-Phenylalanine D-Lysine Docosahexaenoyl PAF C-16 D-Pipecolic acid Eremopetasidione Gabapentin Glu Leu Arg Gly Val Val His Lys Histamine Ile Ile Leu Indole-3-carboxaldehyde Indole-3-carboxylic acid Indoleacetaldehyde L-2-Methyltryptophan L-Arginine L-Carnitine L-Histidine L-Isoleucine L-Methionine L-Proline L-Tryptophan L-Tyrosine Lumichrome Lys Phe LysoPC(18:0) Melatonin Met Val Methenamine Methylpyrazine N,N'-Dicyclohexylurea N1-Acetylspermidine N-Acetyl-DL-methionine N-Acetyltyramine N-decanoyl-L-Homoserine lactone N-methylundec-10-enamide Oxindole p-Acetamidophenol Pantothenic Acid p-CHLOROPHENYLALANINE Phenethylamine glucuronide Pro Pro Pro Propamocarb Prostaglandin I2 Psoralen Pyroquilon Riboflavin Ricinoleic Acid methyl ester Spermidine Taurine tetranor-12(S)-HETE Thiamine Thymidine Thymine Toluene trans-Cinnamic acid Val Val CYANO-3-HYDROXYCINNAMIC ACID PHENYL-gamma-Aminobutyric Acid Valerolactam METABOLITES_END #END