#METABOLOMICS WORKBENCH naviaux@ucsd.edu_20170517_154534 DATATRACK_ID:913 STUDY_ID:ST000617 ANALYSIS_ID:AN000947 PROJECT_ID:PR000451 VERSION 1 CREATED_ON June 5, 2017, 2:58 pm #PROJECT PR:PROJECT_TITLE Clinical validation for the utility of targeted metabolomic method in chronic PR:PROJECT_TITLE fatigue syndrome PR:PROJECT_TYPE Plasma samples PR:PROJECT_SUMMARY Chronic fatigue syndrome (CFS) is a complex, multisystem disease that has PR:PROJECT_SUMMARY affected more than 2 million people in the United States. No biochemical PR:PROJECT_SUMMARY diagnostic lab test is currently available.As a practical test of the PR:PROJECT_SUMMARY reproducibility of our new metabolomic method, we reanalyzed 40 samples from an PR:PROJECT_SUMMARY earlier CFS study PR:INSTITUTE University of California, San Diego PR:DEPARTMENT Department of Medicine PR:LAST_NAME Naviaux PR:FIRST_NAME Robert PR:ADDRESS 214 Dickinson St., Bldg CTF, Rm C102, San Diego, CA, 92103, USA PR:EMAIL naviaux@ucsd.edu PR:PHONE 619-543-2904 #STUDY ST:STUDY_TITLE Validation of the application of targeted metabolomic appraoch in the diagnosis ST:STUDY_TITLE of CFS ST:STUDY_TYPE Plasma metabolomic profiling ST:STUDY_SUMMARY This study was to validate the utility of the developed targeted metabolomic ST:STUDY_SUMMARY method in the diagnosis of chronic fatigue syndrome (CFS). Clinical validation ST:STUDY_SUMMARY consisted of a cohort of 20 male CFS (53 ± 2.8 years old, mean ± SEM, range ST:STUDY_SUMMARY 21-67 y) and 18 male controls (53 ± 3.5 years old, mean ± SEM, range 23-69 y), ST:STUDY_SUMMARY who were enrolled in a previous study (Naviaux et al. 2016). These plasma ST:STUDY_SUMMARY samples were stored in -80 ºC for about 1.5 years and reanalyzed on a different ST:STUDY_SUMMARY LC-MS/MS system by a different investigator. ST:INSTITUTE University of California, San Diego ST:DEPARTMENT Department of Medicine ST:LABORATORY The Mitochondrial and Metabolic Disease Center ST:LAST_NAME Naviaux ST:FIRST_NAME Robert ST:ADDRESS 214 Dikinson Street, CTF-C102, San Diego, CA, 92103 ST:EMAIL rnaviaux@ucsd.edu ST:PHONE 619-993-2904 ST:NUM_GROUPS 2 ST:TOTAL_SUBJECTS 38 ST:NUM_MALES 38 ST:STUDY_COMMENTS These plasma samples were stored in -80 ºC for about 1.5 years and reanalyzed ST:STUDY_COMMENTS on a different LC-MS/MS system by a different investigator. #SUBJECT SU:SUBJECT_TYPE Human SU:SUBJECT_SPECIES Homo sapiens SU:TAXONOMY_ID 9606 SU:AGE_OR_AGE_RANGE 53 ± 3.5 (23-69 yr) SU:GENDER Male SU:HUMAN_ETHNICITY White/non-Hispanic #SUBJECT_SAMPLE_FACTORS: SUBJECT(optional)[tab]SAMPLE[tab]FACTORS(NAME:VALUE pairs separated by |)[tab]Additional sample data SUBJECT_SAMPLE_FACTORS - M56MF_003 Treatment:Control SUBJECT_SAMPLE_FACTORS - M66CC_039 Treatment:Control SUBJECT_SAMPLE_FACTORS - M65WA_030 Treatment:Control SUBJECT_SAMPLE_FACTORS - M54MD_004 Treatment:Control SUBJECT_SAMPLE_FACTORS - M27RW_001 Treatment:Control SUBJECT_SAMPLE_FACTORS - M37AF_034 Treatment:Control SUBJECT_SAMPLE_FACTORS - M46MP_010 Treatment:Control SUBJECT_SAMPLE_FACTORS - M23CV_036 Treatment:Control SUBJECT_SAMPLE_FACTORS - M26JC_040 Treatment:Control SUBJECT_SAMPLE_FACTORS - M47WA_009 Treatment:Control SUBJECT_SAMPLE_FACTORS - M58JG_031 Treatment:Control SUBJECT_SAMPLE_FACTORS - M58RN_007 Treatment:Control SUBJECT_SAMPLE_FACTORS - M59JM_035 Treatment:Control SUBJECT_SAMPLE_FACTORS - M62JR_041 Treatment:Control SUBJECT_SAMPLE_FACTORS - M63RD_029 Treatment:Control SUBJECT_SAMPLE_FACTORS - M64EG_032 Treatment:Control SUBJECT_SAMPLE_FACTORS - M67NN_033 Treatment:Control SUBJECT_SAMPLE_FACTORS - M69JB_037 Treatment:Control SUBJECT_SAMPLE_FACTORS - 209_CFS Treatment:CFS SUBJECT_SAMPLE_FACTORS - 219_CFS Treatment:CFS SUBJECT_SAMPLE_FACTORS - 205_CFS Treatment:CFS SUBJECT_SAMPLE_FACTORS - 206_CFS Treatment:CFS SUBJECT_SAMPLE_FACTORS - 201_CFS Treatment:CFS SUBJECT_SAMPLE_FACTORS - 202_CFS Treatment:CFS SUBJECT_SAMPLE_FACTORS - 207_CFS Treatment:CFS SUBJECT_SAMPLE_FACTORS - 210_CFS Treatment:CFS SUBJECT_SAMPLE_FACTORS - 211_CFS Treatment:CFS SUBJECT_SAMPLE_FACTORS - 213_CFS Treatment:CFS SUBJECT_SAMPLE_FACTORS - 214_CFS Treatment:CFS SUBJECT_SAMPLE_FACTORS - 215_CFS Treatment:CFS SUBJECT_SAMPLE_FACTORS - 218_CFS Treatment:CFS SUBJECT_SAMPLE_FACTORS - 221_CFS Treatment:CFS SUBJECT_SAMPLE_FACTORS - 223_CFS Treatment:CFS SUBJECT_SAMPLE_FACTORS - 225_CFS Treatment:CFS SUBJECT_SAMPLE_FACTORS - 224_CFS Treatment:CFS SUBJECT_SAMPLE_FACTORS - 231_CFS Treatment:CFS SUBJECT_SAMPLE_FACTORS - 228_CFS Treatment:CFS SUBJECT_SAMPLE_FACTORS - 208_CFS Treatment:CFS #COLLECTION CO:COLLECTION_SUMMARY Blood samples from 18 male subjects with chronic fatigue syndrome and 20 age and CO:COLLECTION_SUMMARY sex matched controls were collected. Plasma was prepared according to the CO:COLLECTION_SUMMARY standard protocol. The metabolites were extracted from CO:SAMPLE_TYPE Blood CO:COLLECTION_METHOD Lithium-heparin vacutainer tubes CO:STORAGE_CONDITIONS -80 C CO:COLLECTION_VIALS Lithium-heparin vacutainer tubes CO:COLLECTION_TUBE_TEMP -80 C CO:BLOOD_SERUM_OR_PLASMA Plasma #TREATMENT TR:TREATMENT_SUMMARY No treatment. There are only two groups: control and disease group (Chronic TR:TREATMENT_SUMMARY fatigue syndrome) #SAMPLEPREP SP:SAMPLEPREP_SUMMARY Metabolites from plasma were extracted using pre-chilled methanol/acetonitrile SP:SAMPLEPREP_SUMMARY (50:50) SP:EXTRACTION_METHOD Typically, 90 μl of plasma was thawed on ice and mixed with 5 μl of isotope SP:EXTRACTION_METHOD standards and incubated for 10 min at 20°C to permit small molecules and SP:EXTRACTION_METHOD vitamins in the internal standards to associate with plasma binding proteins. SP:EXTRACTION_METHOD Macromolecules (protein, DNA, RNA, glycans, etc.) were precipitated by SP:EXTRACTION_METHOD extraction with 4 volumes (400 μl) of cold (-20°C), acetonitrile:methanol SP:EXTRACTION_METHOD (50:50) and incubated on crushed ice for 10 min, then removed by centrifugation SP:EXTRACTION_METHOD at 16,000g x 10 min at 4°C. The supernatants containing the extracted SP:EXTRACTION_METHOD metabolites and internal standards were transferred to labeled cryotubes and SP:EXTRACTION_METHOD stored at -80°C for LCMS/MS analysis. SP:EXTRACT_STORAGE -80 SP:SAMPLE_DERIVATIZATION No SP:SAMPLE_SPIKING 25-35 commercial stable isotope internal standards, and 57 stable isotope SP:SAMPLE_SPIKING internal standards that were custom-synthesized in E. coli and S. cerevisiae by SP:SAMPLE_SPIKING metabolic labeling with 13C-glucose and 13C bicarbonate #CHROMATOGRAPHY CH:CHROMATOGRAPHY_SUMMARY hydrophilic interaction chromatography (HILIC) on shodex column CH:CHROMATOGRAPHY_TYPE HILIC CH:INSTRUMENT_NAME Shimadzu 20AD CH:COLUMN_NAME Shodex NH2P-40 2E (250 mm × 2.0 mm) CH:FLOW_GRADIENT 0-3.5 min: 95%B, 3.6-8 min: 85% B, 8.1-13 min: 75% B, 13.5–35 min: 0% B, CH:FLOW_GRADIENT 36–46 min: 95% B, 46.1 min: end. CH:FLOW_RATE 0.2 ml/min CH:COLUMN_TEMPERATURE 25 C CH:SOLVENT_A 95% water with 20 mM (NH4)2CO3, 5% acetonitrile, and 38 mM NH4OH, final pH 9.8 CH:SOLVENT_B 100% acetonitrile CH:COLUMN_PRESSURE 900~2800 psi CH:INJECTION_TEMPERATURE room temperature CH:ANALYTICAL_TIME 46.1 min CH:OVEN_TEMPERATURE 25 C CH:SAMPLE_LOOP_SIZE 10 ul CH:SAMPLE_SYRINGE_SIZE 100 ul #ANALYSIS AN:ANALYSIS_TYPE MS AN:LABORATORY_NAME Naviaux Lab in UCSD AN:OPERATOR_NAME K.L. AN:SOFTWARE_VERSION Analyst 1.6.2 #MS MS:MS_COMMENTS - MS:INSTRUMENT_NAME ABI Sciex 5500 QTrap MS:INSTRUMENT_TYPE Triple quadrupole MS:MS_TYPE ESI MS:ION_MODE POSITIVE MS:COLLISION_ENERGY Compound-specific MS:COLLISION_GAS High MS:ION_SOURCE_TEMPERATURE 500 C MS:ION_SPRAY_VOLTAGE 5500 MS:MASS_ACCURACY 0.1 Da MS:SCANNING MRM #MS_METABOLITE_DATA MS_METABOLITE_DATA:UNITS AUC MS_METABOLITE_DATA_START Samples M56MF_003 M66CC_039 M65WA_030 M54MD_004 M27RW_001 M37AF_034 M46MP_010 M23CV_036 M26JC_040 M47WA_009 M58JG_031 M58RN_007 M59JM_035 M62JR_041 M63RD_029 M64EG_032 M67NN_033 M69JB_037 209_CFS 219_CFS 205_CFS 206_CFS 201_CFS 202_CFS 207_CFS 210_CFS 211_CFS 213_CFS 214_CFS 215_CFS 218_CFS 221_CFS 223_CFS 225_CFS 224_CFS 231_CFS 228_CFS 208_CFS Factors Treatment:Control Treatment:Control Treatment:Control Treatment:Control Treatment:Control Treatment:Control Treatment:Control Treatment:Control Treatment:Control Treatment:Control Treatment:Control Treatment:Control Treatment:Control Treatment:Control Treatment:Control Treatment:Control Treatment:Control Treatment:Control Treatment:CFS Treatment:CFS Treatment:CFS Treatment:CFS Treatment:CFS Treatment:CFS Treatment:CFS Treatment:CFS Treatment:CFS Treatment:CFS Treatment:CFS Treatment:CFS Treatment:CFS Treatment:CFS Treatment:CFS Treatment:CFS Treatment:CFS Treatment:CFS Treatment:CFS Treatment:CFS 1,25-Dihydroxyvitamin D3 5590000.00 27500000.00 11100000.00 24200000.00 53400000.00 26200000.00 25100000.00 66100000.00 25100000.00 9170000.00 8180000.00 7820000.00 9970000.00 47300000.00 6530000.00 11200000.00 11700000.00 6150000.00 25900000.00 56300000.00 6170000.00 8730000.00 6470000.00 18000000.00 12700000.00 9330000.00 6660000.00 19500000.00 6690000.00 4370000.00 4580000.00 7730000.00 6690000.00 14200000.00 6130000.00 4860000.00 6060000.00 20000000.00 1-Methyladenosine 33800000.00 27800000.00 29000000.00 29700000.00 28900000.00 30100000.00 34500000.00 26100000.00 27900000.00 32800000.00 27100000.00 36400000.00 35100000.00 24500000.00 33200000.00 30700000.00 28900000.00 27200000.00 32400000.00 25700000.00 28200000.00 30100000.00 29300000.00 27000000.00 32000000.00 26000000.00 28400000.00 35900000.00 28400000.00 29800000.00 37700000.00 28200000.00 31400000.00 26400000.00 31400000.00 26700000.00 29800000.00 28500000.00 1-Methylhistidine 156000000.00 115000000.00 98000000.00 105000000.00 182000000.00 140000000.00 153000000.00 105000000.00 98200000.00 134000000.00 91300000.00 140000000.00 201000000.00 99900000.00 113000000.00 162000000.00 187000000.00 134000000.00 158000000.00 61300000.00 178000000.00 216000000.00 179000000.00 213000000.00 147000000.00 146000000.00 167000000.00 158000000.00 127000000.00 189000000.00 132000000.00 107000000.00 102000000.00 132000000.00 95000000.00 138000000.00 137000000.00 124000000.00 1-Methylnicotinamide 6230000.00 8440000.00 8910000.00 4890000.00 1740000.00 6840000.00 4720000.00 5910000.00 5920000.00 405000.00 77500000.00 3880000.00 10400000.00 5510000.00 11100000.00 3600000.00 3740000.00 2710000.00 2150000.00 3150000.00 4890000.00 4300000.00 14000000.00 235000000.00 2360000.00 39500000.00 52600000.00 7760000.00 9460000.00 9570000.00 5750000.00 2590000.00 13700000.00 9830000.00 3880000.00 1110000.00 2760000.00 309000000.00 1-Pyrroline-5-carboxylic acid 610000.00 565000.00 651000.00 428000.00 1020000.00 573000.00 480000.00 833000.00 1030000.00 763000.00 652000.00 548000.00 814000.00 723000.00 610000.00 1210000.00 743000.00 633000.00 721000.00 829000.00 895000.00 796000.00 1290000.00 1010000.00 844000.00 1980000.00 913000.00 862000.00 768000.00 726000.00 808000.00 1250000.00 1070000.00 1650000.00 592000.00 1230000.00 895000.00 987000.00 24,25-Dihydrolanosterol 540000.00 644000.00 893000.00 652000.00 628000.00 815000.00 604000.00 632000.00 800000.00 848000.00 884000.00 809000.00 963000.00 830000.00 885000.00 757000.00 882000.00 705000.00 501000.00 702000.00 635000.00 761000.00 749000.00 628000.00 744000.00 930000.00 805000.00 636000.00 721000.00 635000.00 742000.00 782000.00 649000.00 804000.00 634000.00 612000.00 883000.00 652000.00 24,25-Epoxycholesterol 243000.00 267000.00 423000.00 420000.00 365000.00 436000.00 313000.00 240000.00 261000.00 433000.00 227000.00 247000.00 628000.00 421000.00 276000.00 159000.00 422000.00 344000.00 150000.00 178000.00 171000.00 235000.00 176000.00 207000.00 170000.00 220000.00 180000.00 280000.00 126000.00 103000.00 124000.00 144000.00 215000.00 268000.00 167000.00 177000.00 164000.00 179000.00 2-Arachidonylglycerol 70600.00 85400.00 16400.00 91000.00 181000.00 51500.00 89800.00 27700.00 145000.00 312000.00 102000.00 136000.00 59300.00 78800.00 46200.00 94700.00 127000.00 166000.00 72800.00 81600.00 281000.00 162000.00 126000.00 116000.00 102000.00 112000.00 66800.00 110000.00 16200.00 85200.00 119000.00 232000.00 71000.00 127000.00 142000.00 207000.00 80100.00 78100.00 2-Octenoylcarnitine 458000000.00 310000000.00 413000000.00 1040000000.00 411000000.00 364000000.00 444000000.00 540000000.00 283000000.00 358000000.00 196000000.00 796000000.00 660000000.00 315000000.00 473000000.00 239000000.00 139000000.00 726000000.00 502000000.00 428000000.00 286000000.00 445000000.00 273000000.00 208000000.00 221000000.00 889000000.00 76500000.00 223000000.00 337000000.00 571000000.00 73300000.00 284000000.00 34300000.00 185000000.00 614000000.00 70200000.00 395000000.00 338000000.00 3, 5-Tetradecadiencarnitine 172000.00 399000.00 201000.00 413000.00 440000.00 192000.00 272000.00 437000.00 168000.00 126000.00 215000.00 667000.00 408000.00 330000.00 387000.00 247000.00 308000.00 360000.00 139000.00 268000.00 434000.00 286000.00 296000.00 144000.00 416000.00 380000.00 382000.00 290000.00 161000.00 459000.00 323000.00 249000.00 181000.00 87000.00 567000.00 392000.00 909000.00 422000.00 3-Aminoisobutyric acid 1070000.00 2100000.00 2270000.00 1040000.00 1220000.00 1480000.00 1400000.00 1140000.00 1820000.00 1350000.00 2630000.00 1160000.00 1510000.00 1360000.00 1260000.00 1500000.00 3290000.00 1270000.00 828000.00 3050000.00 1290000.00 1200000.00 3320000.00 1900000.00 2120000.00 968000.00 2010000.00 2080000.00 1580000.00 1180000.00 2990000.00 1420000.00 1340000.00 1510000.00 1380000.00 1520000.00 1450000.00 1370000.00 3-Hydroxy-cis-5-tetradecenoylcarnitine 599000.00 1870000.00 738000.00 1220000.00 1780000.00 654000.00 926000.00 1440000.00 562000.00 467000.00 854000.00 2130000.00 1600000.00 1440000.00 1370000.00 1200000.00 1920000.00 1030000.00 432000.00 1350000.00 423000.00 1290000.00 1190000.00 604000.00 2210000.00 1080000.00 2280000.00 664000.00 344000.00 1070000.00 681000.00 1110000.00 434000.00 281000.00 1650000.00 776000.00 2990000.00 1670000.00 3-Hydroxydodecanoylcarnitine 3120000.00 10500000.00 3910000.00 6740000.00 8750000.00 2850000.00 4110000.00 10200000.00 2000000.00 2740000.00 4420000.00 12300000.00 11900000.00 6930000.00 7380000.00 8070000.00 12300000.00 6580000.00 2960000.00 6260000.00 2470000.00 7480000.00 7060000.00 2540000.00 7550000.00 3550000.00 10700000.00 4430000.00 3710000.00 6340000.00 3010000.00 6500000.00 3190000.00 1410000.00 7830000.00 3730000.00 12000000.00 7850000.00 3-Hydroxyhexadecanoylcarnitine 3080000.00 4320000.00 2500000.00 2730000.00 3400000.00 2530000.00 2110000.00 4600000.00 1530000.00 2430000.00 1830000.00 4790000.00 5410000.00 4270000.00 3300000.00 4560000.00 4880000.00 3970000.00 3010000.00 2630000.00 1850000.00 3570000.00 3250000.00 1530000.00 2380000.00 2200000.00 3710000.00 3060000.00 2440000.00 4630000.00 1820000.00 2690000.00 2490000.00 1440000.00 3900000.00 2730000.00 3160000.00 4060000.00 3-Hydroxyhexadecenoylcarnitine 3160000.00 6190000.00 4570000.00 4410000.00 6070000.00 3560000.00 3760000.00 7270000.00 2520000.00 2700000.00 3050000.00 6390000.00 7730000.00 5000000.00 4370000.00 5950000.00 6210000.00 5420000.00 3250000.00 4350000.00 2190000.00 5840000.00 5170000.00 1920000.00 5320000.00 3700000.00 9210000.00 4460000.00 3210000.00 5000000.00 2910000.00 4770000.00 3950000.00 2400000.00 6190000.00 4300000.00 6270000.00 5080000.00 3-Hydroxyisovaleryl Carnitine 18200000.00 15000000.00 8560000.00 15000000.00 19500000.00 18100000.00 14700000.00 15600000.00 18500000.00 14500000.00 7770000.00 14000000.00 18100000.00 10200000.00 13400000.00 13700000.00 18200000.00 12400000.00 15000000.00 18300000.00 15300000.00 18000000.00 14300000.00 12500000.00 12800000.00 16400000.00 12000000.00 16500000.00 16500000.00 16000000.00 6150000.00 23400000.00 5450000.00 10900000.00 7920000.00 28000000.00 9220000.00 9360000.00 3-Hydroxylinoleylcarnitine 1280000.00 1150000.00 1240000.00 1510000.00 1370000.00 1340000.00 1210000.00 1280000.00 1540000.00 1640000.00 1890000.00 2400000.00 1370000.00 1130000.00 1050000.00 1130000.00 1470000.00 1090000.00 3170000.00 1670000.00 1550000.00 1580000.00 1090000.00 4220000.00 1860000.00 1040000.00 1350000.00 1170000.00 1220000.00 1350000.00 1210000.00 1440000.00 2520000.00 2920000.00 981000.00 802000.00 979000.00 1420000.00 3-Hydroxyoleoylcarnitine 114000.00 178000.00 223000.00 172000.00 172000.00 150000.00 137000.00 176000.00 136000.00 120000.00 172000.00 217000.00 255000.00 227000.00 203000.00 208000.00 185000.00 178000.00 84300.00 181000.00 101000.00 166000.00 262000.00 162000.00 199000.00 211000.00 245000.00 138000.00 128000.00 206000.00 148000.00 258000.00 113000.00 134000.00 261000.00 196000.00 283000.00 203000.00 5,6-trans-25-Hydroxyvitamin D3 5600000.00 6820000.00 4700000.00 11200000.00 4430000.00 6380000.00 3530000.00 3730000.00 6060000.00 9220000.00 8380000.00 21400000.00 14100000.00 8690000.00 5370000.00 5940000.00 3780000.00 5310000.00 7380000.00 5210000.00 4370000.00 5780000.00 4270000.00 4630000.00 4680000.00 8040000.00 9440000.00 7080000.00 4870000.00 5170000.00 6780000.00 10800000.00 5420000.00 5760000.00 4360000.00 8120000.00 3600000.00 9310000.00 5-Methylthioadenosine 790000.00 743000.00 693000.00 737000.00 471000.00 590000.00 398000.00 565000.00 676000.00 300000.00 420000.00 766000.00 726000.00 708000.00 345000.00 370000.00 649000.00 708000.00 695000.00 977000.00 403000.00 510000.00 554000.00 748000.00 358000.00 1350000.00 621000.00 1050000.00 714000.00 457000.00 375000.00 633000.00 464000.00 517000.00 472000.00 2050000.00 559000.00 663000.00 7-Dehydrocholesterol 1750000.00 2230000.00 1920000.00 2410000.00 2520000.00 2370000.00 1010000.00 1950000.00 2330000.00 2530000.00 3270000.00 3450000.00 3940000.00 2600000.00 2830000.00 2300000.00 2820000.00 2940000.00 2480000.00 2640000.00 2350000.00 3130000.00 1950000.00 2450000.00 2350000.00 2270000.00 3730000.00 3120000.00 3680000.00 3040000.00 3360000.00 2610000.00 3000000.00 3350000.00 3590000.00 3220000.00 2790000.00 2740000.00 7-ketocholesterol 1220000.00 2080000.00 1110000.00 2680000.00 752000.00 1590000.00 900000.00 987000.00 1330000.00 1910000.00 1920000.00 5640000.00 3720000.00 2460000.00 1310000.00 1270000.00 767000.00 1590000.00 2070000.00 1190000.00 1330000.00 1250000.00 1060000.00 992000.00 1440000.00 2410000.00 2280000.00 1610000.00 862000.00 1020000.00 1670000.00 1750000.00 1550000.00 1310000.00 1040000.00 1950000.00 597000.00 2690000.00 7-methylguanine 7060000.00 7110000.00 7980000.00 8040000.00 6820000.00 6940000.00 7180000.00 8150000.00 5610000.00 6780000.00 6300000.00 9080000.00 9790000.00 8490000.00 9140000.00 7450000.00 7260000.00 6870000.00 6540000.00 5020000.00 7700000.00 8840000.00 6870000.00 9890000.00 8670000.00 6750000.00 7750000.00 7100000.00 7520000.00 9250000.00 9140000.00 6490000.00 8770000.00 4840000.00 7790000.00 5110000.00 8720000.00 8870000.00 9-Decenoylcarnitine 61100000.00 121000000.00 47300000.00 112000000.00 96800000.00 66400000.00 77600000.00 111000000.00 41200000.00 48900000.00 62200000.00 138000000.00 103000000.00 80900000.00 98900000.00 44800000.00 98800000.00 88000000.00 40000000.00 78300000.00 63500000.00 82300000.00 77200000.00 61500000.00 91700000.00 76100000.00 66600000.00 92900000.00 44700000.00 78300000.00 64700000.00 67700000.00 38300000.00 35400000.00 111000000.00 64200000.00 132000000.00 81100000.00 9-Hexadecenoylcarnitine 97700.00 142000.00 127000.00 175000.00 307000.00 183000.00 225000.00 226000.00 181000.00 202000.00 281000.00 269000.00 310000.00 164000.00 364000.00 217000.00 228000.00 244000.00 110000.00 119000.00 126000.00 343000.00 292000.00 211000.00 302000.00 202000.00 285000.00 218000.00 188000.00 336000.00 210000.00 315000.00 182000.00 158000.00 256000.00 147000.00 272000.00 134000.00 Adenine 106000000.00 77700000.00 83300000.00 80200000.00 86200000.00 85200000.00 91300000.00 94700000.00 93100000.00 88400000.00 81500000.00 88900000.00 84600000.00 87400000.00 92800000.00 88500000.00 93200000.00 91000000.00 87700000.00 80400000.00 91900000.00 88200000.00 86800000.00 89200000.00 85700000.00 80400000.00 87500000.00 85200000.00 83100000.00 84400000.00 87300000.00 79900000.00 92300000.00 100000000.00 84200000.00 78400000.00 86000000.00 78800000.00 Adenosine 455000000.00 41700000.00 154000000.00 34500000.00 31300000.00 71800000.00 126000000.00 308000000.00 194000000.00 15000000.00 161000000.00 51800000.00 159000000.00 57300000.00 314000000.00 216000000.00 290000000.00 103000000.00 126000000.00 47100000.00 101000000.00 114000000.00 30500000.00 154000000.00 25400000.00 7460000.00 21900000.00 175000000.00 162000000.00 94500000.00 122000000.00 79800000.00 29200000.00 280000000.00 30300000.00 18800000.00 93400000.00 80000000.00 Adenosine monophosphate 1610000.00 442000.00 526000.00 345000.00 468000.00 424000.00 539000.00 2390000.00 448000.00 432000.00 456000.00 426000.00 547000.00 468000.00 1500000.00 624000.00 605000.00 397000.00 560000.00 360000.00 464000.00 544000.00 399000.00 527000.00 439000.00 414000.00 412000.00 466000.00 549000.00 478000.00 462000.00 342000.00 419000.00 746000.00 456000.00 436000.00 446000.00 441000.00 Adenosine triphosphate 26900.00 25600.00 28400.00 24400.00 23400.00 29200.00 23800.00 23100.00 22800.00 22300.00 23800.00 27300.00 20200.00 25800.00 21500.00 29100.00 23700.00 21700.00 26200.00 25400.00 28700.00 23100.00 25600.00 23900.00 26600.00 20300.00 19900.00 21200.00 27200.00 23900.00 717000.00 18700.00 24500.00 19800.00 27300.00 21600.00 26100.00 33000.00 Adipoylcarnitine 1930000.00 4060000.00 3830000.00 2810000.00 2430000.00 2590000.00 2290000.00 3530000.00 1770000.00 2110000.00 4220000.00 2520000.00 3480000.00 3540000.00 1620000.00 2190000.00 1840000.00 3100000.00 3440000.00 2820000.00 4390000.00 3230000.00 2400000.00 1580000.00 2680000.00 1580000.00 3850000.00 2190000.00 1730000.00 2060000.00 2010000.00 1920000.00 4920000.00 2110000.00 2550000.00 2130000.00 3140000.00 3590000.00 Alanine 76500000.00 72200000.00 46500000.00 75700000.00 59100000.00 78200000.00 64800000.00 58900000.00 128000000.00 76300000.00 53200000.00 72500000.00 73500000.00 69200000.00 68500000.00 56600000.00 63200000.00 61400000.00 66300000.00 117000000.00 73600000.00 63400000.00 87000000.00 46600000.00 58200000.00 103000000.00 65500000.00 83300000.00 54900000.00 63200000.00 60300000.00 86800000.00 72200000.00 108000000.00 55000000.00 134000000.00 54500000.00 61200000.00 Alpha-Tocopherol 12200000.00 11700000.00 16300000.00 9840000.00 9850000.00 12600000.00 8010000.00 8310000.00 11800000.00 13000000.00 14400000.00 13800000.00 15100000.00 10900000.00 12600000.00 13100000.00 11800000.00 11900000.00 11100000.00 12600000.00 11200000.00 13100000.00 10800000.00 11500000.00 13700000.00 17200000.00 13100000.00 12600000.00 15600000.00 11700000.00 13100000.00 12100000.00 11600000.00 13000000.00 13200000.00 11100000.00 15300000.00 12200000.00 Arachidonyl carnitine 568000.00 755000.00 295000.00 889000.00 1240000.00 273000.00 764000.00 573000.00 611000.00 672000.00 374000.00 616000.00 598000.00 647000.00 341000.00 330000.00 435000.00 439000.00 378000.00 258000.00 243000.00 521000.00 758000.00 326000.00 534000.00 541000.00 552000.00 252000.00 373000.00 569000.00 394000.00 368000.00 487000.00 542000.00 614000.00 539000.00 379000.00 421000.00 Aspartylglycosamine 84400.00 59700.00 45400.00 64100.00 76300.00 44600.00 54000.00 84300.00 42800.00 39100.00 43200.00 84800.00 106000.00 93300.00 85300.00 59300.00 58800.00 87100.00 83800.00 25100.00 68500.00 75600.00 54000.00 78700.00 73100.00 48300.00 59900.00 99300.00 76900.00 72400.00 38700.00 50600.00 84000.00 66300.00 63600.00 52900.00 56000.00 75300.00 beta-Alanine 1240000.00 1080000.00 939000.00 944000.00 1100000.00 1210000.00 988000.00 1090000.00 5040000.00 1210000.00 825000.00 1140000.00 1140000.00 901000.00 867000.00 1360000.00 1530000.00 2640000.00 991000.00 872000.00 1260000.00 1640000.00 4510000.00 2010000.00 990000.00 1860000.00 1030000.00 2210000.00 1080000.00 2290000.00 789000.00 1200000.00 1100000.00 2610000.00 820000.00 1590000.00 905000.00 990000.00 Betaine 7610000.00 8510000.00 6300000.00 6810000.00 8380000.00 7510000.00 6830000.00 6580000.00 7830000.00 6070000.00 7430000.00 7320000.00 7060000.00 3850000.00 5730000.00 6610000.00 6930000.00 7660000.00 7480000.00 9760000.00 8590000.00 5580000.00 8890000.00 3850000.00 7340000.00 15300000.00 11200000.00 7710000.00 4920000.00 6900000.00 5420000.00 6860000.00 6980000.00 7220000.00 7180000.00 38800000.00 7940000.00 5460000.00 BMP(16:0/16:0) 2600000.00 1270000.00 1320000.00 549000.00 1680000.00 954000.00 936000.00 1710000.00 433000.00 2200000.00 1110000.00 1940000.00 1910000.00 1030000.00 2050000.00 1370000.00 2310000.00 897000.00 1270000.00 573000.00 1430000.00 1620000.00 822000.00 1270000.00 985000.00 583000.00 644000.00 1580000.00 1320000.00 2630000.00 1470000.00 527000.00 1190000.00 1520000.00 1170000.00 1400000.00 483000.00 1080000.00 BMP(18:1/16:0) 1020000.00 717000.00 565000.00 232000.00 877000.00 523000.00 787000.00 764000.00 322000.00 624000.00 1430000.00 787000.00 741000.00 451000.00 944000.00 735000.00 1120000.00 393000.00 455000.00 398000.00 689000.00 1090000.00 558000.00 451000.00 716000.00 659000.00 578000.00 758000.00 377000.00 925000.00 641000.00 439000.00 394000.00 547000.00 1150000.00 611000.00 312000.00 605000.00 BMP(18:1/16:1) 83700.00 24700.00 242000.00 11400.00 27100.00 55900.00 33200.00 65800.00 44000.00 36400.00 133000.00 47900.00 42000.00 17900.00 77700.00 58800.00 86500.00 85600.00 120000.00 208000.00 132000.00 93300.00 24300.00 130000.00 24500.00 202000.00 40400.00 53200.00 114000.00 65600.00 76900.00 25600.00 43700.00 142000.00 40200.00 99800.00 184000.00 128000.00 BMP(18:1/18:1) 15900.00 5540.00 10700.00 2540.00 5970.00 7660.00 10600.00 8260.00 5850.00 14900.00 8700.00 18600.00 8390.00 6030.00 10500.00 5980.00 23900.00 8670.00 3580.00 6900.00 12200.00 14900.00 5300.00 11600.00 5180.00 15500.00 5700.00 12000.00 7210.00 12000.00 18600.00 11900.00 10100.00 10300.00 19300.00 13400.00 6930.00 5120.00 BMP(18:1/18:2) 52600.00 30900.00 55500.00 16400.00 19400.00 14300.00 22600.00 30500.00 25200.00 23600.00 28600.00 41600.00 37000.00 17900.00 27900.00 24300.00 45000.00 29100.00 31200.00 38100.00 32200.00 23000.00 26900.00 29500.00 26100.00 63200.00 38400.00 21600.00 21300.00 24300.00 47300.00 25700.00 10100.00 80100.00 27700.00 48800.00 55300.00 46800.00 Butyrylcarnitine 320000000.00 373000000.00 139000000.00 143000000.00 272000000.00 211000000.00 212000000.00 388000000.00 322000000.00 146000000.00 186000000.00 390000000.00 248000000.00 192000000.00 192000000.00 242000000.00 402000000.00 218000000.00 297000000.00 231000000.00 270000000.00 356000000.00 212000000.00 297000000.00 247000000.00 211000000.00 248000000.00 265000000.00 323000000.00 178000000.00 111000000.00 171000000.00 270000000.00 247000000.00 265000000.00 202000000.00 141000000.00 136000000.00 Carnosine 392000.00 158000.00 155000.00 193000.00 212000.00 278000.00 202000.00 378000.00 279000.00 219000.00 233000.00 301000.00 262000.00 254000.00 313000.00 298000.00 356000.00 213000.00 229000.00 144000.00 235000.00 243000.00 203000.00 193000.00 331000.00 206000.00 273000.00 309000.00 326000.00 288000.00 321000.00 290000.00 323000.00 229000.00 175000.00 320000.00 151000.00 192000.00 Ceramide(d18:1/12:0) 483000.00 374000.00 520000.00 466000.00 347000.00 1190000.00 451000.00 510000.00 163000.00 512000.00 3290000.00 1030000.00 670000.00 1100000.00 491000.00 839000.00 311000.00 551000.00 1660000.00 2090000.00 2130000.00 846000.00 780000.00 1520000.00 272000.00 81500.00 623000.00 485000.00 847000.00 305000.00 2070000.00 884000.00 3790000.00 1540000.00 701000.00 165000.00 163000.00 444000.00 Ceramide(d18:1/16:0 OH) 121000.00 95000.00 132000.00 138000.00 142000.00 208000.00 108000.00 95700.00 132000.00 138000.00 120000.00 162000.00 312000.00 125000.00 208000.00 146000.00 139000.00 91900.00 69700.00 147000.00 146000.00 191000.00 106000.00 101000.00 95000.00 83700.00 118000.00 129000.00 103000.00 126000.00 205000.00 105000.00 64700.00 95300.00 68500.00 78600.00 160000.00 118000.00 Ceramide(d18:1/16:0) 89800000.00 60000000.00 91200000.00 85700000.00 88600000.00 120000000.00 46300000.00 74400000.00 56900000.00 97200000.00 82400000.00 111000000.00 126000000.00 71100000.00 68700000.00 69000000.00 60400000.00 47700000.00 50300000.00 44900000.00 72800000.00 69500000.00 49800000.00 55400000.00 40900000.00 44500000.00 66700000.00 80000000.00 59800000.00 51300000.00 53400000.00 49900000.00 27400000.00 34200000.00 34800000.00 46900000.00 45900000.00 54900000.00 Ceramide(d18:1/16:1 OH) 703000.00 383000.00 475000.00 701000.00 649000.00 990000.00 439000.00 630000.00 462000.00 620000.00 533000.00 714000.00 1290000.00 431000.00 415000.00 681000.00 742000.00 381000.00 323000.00 322000.00 523000.00 645000.00 294000.00 371000.00 292000.00 268000.00 534000.00 767000.00 548000.00 404000.00 628000.00 330000.00 176000.00 487000.00 300000.00 261000.00 295000.00 513000.00 Ceramide(d18:1/16:1) 865000.00 400000.00 686000.00 761000.00 627000.00 966000.00 555000.00 568000.00 527000.00 904000.00 546000.00 914000.00 1350000.00 594000.00 627000.00 744000.00 712000.00 511000.00 418000.00 569000.00 668000.00 832000.00 506000.00 368000.00 495000.00 336000.00 463000.00 876000.00 584000.00 427000.00 662000.00 418000.00 286000.00 624000.00 536000.00 425000.00 459000.00 816000.00 Ceramide(d18:1/16:2) 172000.00 76500.00 132000.00 162000.00 104000.00 252000.00 85500.00 137000.00 122000.00 135000.00 112000.00 156000.00 254000.00 124000.00 126000.00 142000.00 204000.00 103000.00 70400.00 92300.00 131000.00 172000.00 96400.00 71800.00 68400.00 75700.00 152000.00 166000.00 155000.00 120000.00 137000.00 98500.00 68200.00 150000.00 75900.00 88100.00 92100.00 92100.00 Ceramide(d18:1/18:0 OH) 303000.00 279000.00 402000.00 405000.00 487000.00 506000.00 235000.00 390000.00 250000.00 495000.00 500000.00 420000.00 714000.00 217000.00 318000.00 480000.00 412000.00 419000.00 236000.00 345000.00 435000.00 307000.00 273000.00 255000.00 398000.00 258000.00 657000.00 319000.00 229000.00 223000.00 339000.00 300000.00 116000.00 264000.00 242000.00 507000.00 336000.00 422000.00 Ceramide(d18:1/18:0) 10100000.00 5430000.00 6100000.00 8020000.00 5540000.00 12600000.00 3890000.00 6290000.00 2440000.00 7100000.00 3370000.00 13600000.00 16100000.00 4080000.00 6150000.00 8090000.00 5830000.00 3920000.00 4030000.00 2490000.00 7540000.00 7270000.00 3700000.00 4670000.00 3520000.00 1890000.00 5780000.00 8030000.00 4650000.00 3660000.00 3120000.00 2910000.00 2100000.00 3630000.00 2500000.00 4800000.00 2140000.00 6200000.00 Ceramide(d18:1/18:1 OH) 282000.00 168000.00 193000.00 268000.00 198000.00 286000.00 67900.00 183000.00 114000.00 276000.00 162000.00 294000.00 369000.00 132000.00 192000.00 185000.00 236000.00 172000.00 88400.00 136000.00 298000.00 267000.00 152000.00 183000.00 130000.00 140000.00 178000.00 328000.00 138000.00 202000.00 306000.00 163000.00 62200.00 249000.00 125000.00 204000.00 141000.00 154000.00 Ceramide(d18:1/18:1) 2610000.00 1350000.00 3190000.00 2940000.00 2830000.00 4090000.00 1510000.00 3130000.00 1720000.00 2650000.00 3290000.00 3320000.00 4020000.00 1590000.00 1940000.00 2850000.00 2530000.00 1740000.00 1460000.00 3060000.00 2060000.00 2690000.00 2040000.00 1610000.00 2890000.00 2270000.00 4260000.00 2580000.00 1700000.00 1280000.00 1950000.00 2300000.00 985000.00 1810000.00 1830000.00 3510000.00 2470000.00 2620000.00 Ceramide(d18:1/18:2) 530000.00 278000.00 449000.00 457000.00 535000.00 704000.00 274000.00 356000.00 292000.00 387000.00 356000.00 704000.00 534000.00 344000.00 463000.00 353000.00 498000.00 374000.00 383000.00 427000.00 449000.00 404000.00 344000.00 377000.00 536000.00 458000.00 347000.00 453000.00 348000.00 391000.00 397000.00 349000.00 175000.00 479000.00 301000.00 555000.00 428000.00 482000.00 Ceramide(d18:1/20:0 OH) 447000.00 185000.00 469000.00 275000.00 265000.00 281000.00 165000.00 377000.00 286000.00 326000.00 194000.00 291000.00 519000.00 177000.00 391000.00 188000.00 449000.00 303000.00 228000.00 284000.00 390000.00 356000.00 257000.00 596000.00 305000.00 336000.00 342000.00 299000.00 369000.00 255000.00 345000.00 200000.00 252000.00 741000.00 186000.00 347000.00 311000.00 376000.00 Ceramide(d18:1/20:0) 3780000.00 1900000.00 1940000.00 2680000.00 1800000.00 3840000.00 1550000.00 2780000.00 1020000.00 2230000.00 2120000.00 3810000.00 5530000.00 1510000.00 3220000.00 3450000.00 2940000.00 1710000.00 2350000.00 1880000.00 2880000.00 3420000.00 1840000.00 1880000.00 955000.00 1490000.00 3090000.00 3980000.00 1890000.00 1840000.00 2020000.00 1580000.00 1080000.00 1450000.00 1600000.00 2080000.00 1430000.00 2900000.00 Ceramide(d18:1/20:1 OH) 417000.00 227000.00 193000.00 293000.00 319000.00 348000.00 114000.00 212000.00 115000.00 259000.00 253000.00 464000.00 471000.00 195000.00 312000.00 373000.00 300000.00 301000.00 212000.00 187000.00 399000.00 360000.00 274000.00 261000.00 162000.00 149000.00 279000.00 677000.00 183000.00 259000.00 251000.00 249000.00 106000.00 257000.00 197000.00 300000.00 176000.00 286000.00 Ceramide(d18:1/20:1) 766000.00 424000.00 514000.00 717000.00 660000.00 783000.00 393000.00 959000.00 383000.00 607000.00 435000.00 788000.00 1020000.00 274000.00 566000.00 489000.00 657000.00 451000.00 301000.00 437000.00 575000.00 795000.00 333000.00 526000.00 521000.00 251000.00 657000.00 683000.00 676000.00 429000.00 457000.00 311000.00 374000.00 419000.00 325000.00 730000.00 270000.00 742000.00 Ceramide(d18:1/20:2) 288000.00 122000.00 209000.00 323000.00 293000.00 368000.00 91300.00 229000.00 99900.00 232000.00 206000.00 324000.00 339000.00 111000.00 243000.00 234000.00 257000.00 258000.00 117000.00 148000.00 185000.00 229000.00 223000.00 296000.00 241000.00 142000.00 142000.00 187000.00 179000.00 126000.00 198000.00 170000.00 122000.00 141000.00 165000.00 301000.00 99400.00 237000.00 Ceramide(d18:1/22:0 OH) 716000.00 335000.00 364000.00 493000.00 527000.00 477000.00 251000.00 444000.00 160000.00 504000.00 546000.00 735000.00 855000.00 252000.00 457000.00 456000.00 685000.00 392000.00 234000.00 368000.00 672000.00 524000.00 322000.00 541000.00 330000.00 352000.00 520000.00 704000.00 422000.00 366000.00 395000.00 348000.00 177000.00 424000.00 250000.00 485000.00 229000.00 498000.00 Ceramide(d18:1/22:0) 11300000.00 6700000.00 7010000.00 7360000.00 6100000.00 10600000.00 4840000.00 5420000.00 5310000.00 7620000.00 6190000.00 14300000.00 18700000.00 6890000.00 9840000.00 11100000.00 10400000.00 7500000.00 10000000.00 8380000.00 12100000.00 8550000.00 7650000.00 7100000.00 3910000.00 4730000.00 10600000.00 16300000.00 7280000.00 7050000.00 6080000.00 10000000.00 3780000.00 3800000.00 7790000.00 5360000.00 5960000.00 10100000.00 Ceramide(d18:1/22:1) 3670000.00 1930000.00 1940000.00 2580000.00 1990000.00 3200000.00 1490000.00 3300000.00 1380000.00 2930000.00 2310000.00 3480000.00 4210000.00 1290000.00 1890000.00 1770000.00 3190000.00 1660000.00 1080000.00 1650000.00 2700000.00 2500000.00 1120000.00 2290000.00 1240000.00 987000.00 2070000.00 2510000.00 1770000.00 1500000.00 1380000.00 1080000.00 993000.00 1650000.00 900000.00 2630000.00 746000.00 2440000.00 Ceramide(d18:1/22:2 OH) 1660000.00 841000.00 865000.00 1090000.00 919000.00 1440000.00 342000.00 1130000.00 534000.00 1170000.00 782000.00 1190000.00 1510000.00 585000.00 811000.00 942000.00 1100000.00 927000.00 519000.00 586000.00 1410000.00 1250000.00 531000.00 852000.00 428000.00 642000.00 638000.00 1660000.00 760000.00 764000.00 490000.00 579000.00 307000.00 773000.00 380000.00 709000.00 361000.00 1090000.00 Ceramide(d18:1/22:2) 2810000.00 1280000.00 1220000.00 1700000.00 2000000.00 2730000.00 708000.00 1820000.00 1160000.00 2130000.00 2060000.00 2640000.00 3310000.00 1280000.00 1850000.00 1790000.00 2120000.00 1700000.00 1280000.00 1630000.00 1830000.00 1880000.00 1490000.00 1870000.00 791000.00 959000.00 1450000.00 3190000.00 1520000.00 1490000.00 1370000.00 1240000.00 750000.00 1060000.00 979000.00 1500000.00 711000.00 2190000.00 Ceramide(d18:1/23:0) or Ceramide(d18:1/22:1 OH) 9050000.00 3600000.00 4490000.00 4900000.00 5800000.00 6500000.00 2530000.00 3840000.00 2840000.00 6840000.00 6620000.00 7730000.00 10500000.00 4880000.00 7260000.00 9180000.00 8880000.00 7690000.00 4600000.00 7810000.00 9820000.00 7490000.00 6610000.00 8030000.00 3410000.00 3840000.00 8300000.00 17900000.00 5290000.00 6940000.00 4180000.00 6580000.00 2510000.00 4350000.00 3370000.00 4070000.00 3890000.00 7950000.00 Ceramide(d18:1/24:0 OH) 7130000.00 4890000.00 4960000.00 8220000.00 6950000.00 9650000.00 4640000.00 6550000.00 4030000.00 8540000.00 6180000.00 7540000.00 15300000.00 3860000.00 8230000.00 5550000.00 6120000.00 3300000.00 4150000.00 4440000.00 7920000.00 8500000.00 4240000.00 5900000.00 2480000.00 4990000.00 5640000.00 7180000.00 2560000.00 3590000.00 5320000.00 3770000.00 2510000.00 5460000.00 1950000.00 5530000.00 3770000.00 3610000.00 Ceramide(d18:1/24:0) 21800000.00 12900000.00 14600000.00 14900000.00 13700000.00 19800000.00 9330000.00 9540000.00 9580000.00 15800000.00 16500000.00 21400000.00 30300000.00 15200000.00 20400000.00 18700000.00 17800000.00 15800000.00 14100000.00 21000000.00 21400000.00 20000000.00 15300000.00 16900000.00 8390000.00 12000000.00 17800000.00 29700000.00 14300000.00 13400000.00 15100000.00 19100000.00 8650000.00 7940000.00 12500000.00 10400000.00 12300000.00 21400000.00 Ceramide(d18:1/24:1) 80400000.00 57200000.00 58300000.00 80900000.00 65700000.00 104000000.00 37800000.00 69100000.00 36300000.00 89000000.00 64700000.00 80300000.00 111000000.00 41300000.00 58100000.00 46200000.00 69300000.00 49100000.00 37200000.00 44600000.00 70000000.00 71900000.00 44300000.00 65000000.00 26800000.00 41700000.00 59100000.00 77000000.00 35300000.00 36700000.00 48600000.00 38500000.00 29400000.00 41100000.00 19500000.00 59000000.00 21900000.00 59700000.00 Ceramide(d18:1/24:2 OH) 1360000.00 554000.00 659000.00 847000.00 708000.00 996000.00 339000.00 850000.00 355000.00 1130000.00 958000.00 796000.00 1510000.00 585000.00 1130000.00 669000.00 986000.00 1010000.00 451000.00 515000.00 1150000.00 1460000.00 509000.00 954000.00 409000.00 663000.00 560000.00 1680000.00 597000.00 608000.00 551000.00 454000.00 342000.00 764000.00 308000.00 670000.00 357000.00 820000.00 Ceramide(d18:1/24:2) 11600000.00 6400000.00 5030000.00 13900000.00 11500000.00 15700000.00 3450000.00 8450000.00 4240000.00 10700000.00 6320000.00 13100000.00 13900000.00 4900000.00 8000000.00 4450000.00 6180000.00 6160000.00 3240000.00 4660000.00 6240000.00 8050000.00 3810000.00 6790000.00 3080000.00 2450000.00 2430000.00 8490000.00 4740000.00 3890000.00 4650000.00 3230000.00 2940000.00 3890000.00 2630000.00 4660000.00 1520000.00 8480000.00 Ceramide(d18:1/25:0) 3040000.00 1170000.00 1220000.00 2280000.00 2440000.00 2490000.00 954000.00 1230000.00 896000.00 2380000.00 2040000.00 2250000.00 2810000.00 1090000.00 2470000.00 1570000.00 1920000.00 1580000.00 923000.00 1500000.00 1870000.00 2520000.00 1230000.00 2340000.00 822000.00 1050000.00 1290000.00 2910000.00 1310000.00 1200000.00 1280000.00 988000.00 739000.00 1420000.00 719000.00 1190000.00 894000.00 1620000.00 Ceramide(d18:1/26:0 OH) 66700.00 44700.00 33800.00 73300.00 78200.00 55600.00 51500.00 110000.00 53100.00 113000.00 115000.00 68800.00 113000.00 75600.00 53800.00 80600.00 46000.00 78700.00 80800.00 69200.00 64700.00 70600.00 47500.00 62000.00 58800.00 31300.00 51700.00 105000.00 91000.00 42900.00 90700.00 68400.00 160000.00 67800.00 79700.00 18800.00 22800.00 76000.00 Ceramide(d18:1/26:0) 157000.00 102000.00 128000.00 279000.00 184000.00 155000.00 52900.00 106000.00 62200.00 173000.00 220000.00 223000.00 210000.00 131000.00 229000.00 165000.00 151000.00 195000.00 82200.00 224000.00 184000.00 254000.00 127000.00 173000.00 96800.00 100000.00 104000.00 292000.00 151000.00 156000.00 195000.00 110000.00 116000.00 163000.00 114000.00 146000.00 249000.00 152000.00 Ceramide(d18:1/26:1) 312000.00 230000.00 400000.00 233000.00 164000.00 236000.00 77900.00 196000.00 128000.00 290000.00 207000.00 245000.00 294000.00 127000.00 370000.00 109000.00 455000.00 258000.00 80000.00 205000.00 446000.00 425000.00 149000.00 669000.00 115000.00 263000.00 181000.00 282000.00 164000.00 178000.00 209000.00 118000.00 132000.00 444000.00 70800.00 310000.00 156000.00 298000.00 Ceramide(d18:1/26:2) 187000.00 58700.00 112000.00 201000.00 228000.00 209000.00 69000.00 125000.00 65700.00 196000.00 130000.00 146000.00 210000.00 107000.00 186000.00 71800.00 118000.00 181000.00 32400.00 76100.00 127000.00 223000.00 74100.00 159000.00 76200.00 58600.00 29100.00 120000.00 91900.00 84200.00 121000.00 69700.00 64800.00 95700.00 35400.00 107000.00 28600.00 167000.00 Cholestenone 2000000.00 2120000.00 2120000.00 2780000.00 2400000.00 2320000.00 1770000.00 2110000.00 2570000.00 2820000.00 2720000.00 3540000.00 3610000.00 2600000.00 2650000.00 2720000.00 2350000.00 2290000.00 2340000.00 2460000.00 1710000.00 2800000.00 2340000.00 2750000.00 2140000.00 1880000.00 2780000.00 2830000.00 3550000.00 2420000.00 2390000.00 2480000.00 2560000.00 2890000.00 3140000.00 2470000.00 2490000.00 2730000.00 Cholesterol 51100000.00 62700000.00 67800000.00 74500000.00 59400000.00 56500000.00 26200000.00 47400000.00 54500000.00 69000000.00 86600000.00 95000000.00 100000000.00 56200000.00 78900000.00 74900000.00 52600000.00 71100000.00 72400000.00 108000000.00 63400000.00 71700000.00 68400000.00 62400000.00 53100000.00 66600000.00 78000000.00 72400000.00 115000000.00 79100000.00 78600000.00 62500000.00 69800000.00 68300000.00 86500000.00 62300000.00 69100000.00 90800000.00 Choline 23800000.00 25800000.00 19100000.00 25400000.00 21100000.00 23300000.00 20600000.00 22700000.00 21700000.00 20700000.00 23800000.00 18500000.00 24800000.00 28900000.00 24000000.00 19500000.00 22900000.00 23700000.00 22900000.00 24300000.00 27400000.00 25600000.00 26100000.00 13600000.00 18600000.00 21100000.00 24500000.00 25900000.00 20300000.00 27500000.00 20100000.00 17300000.00 18200000.00 19700000.00 19300000.00 30100000.00 19300000.00 19900000.00 Cortisol 352000.00 420000.00 302000.00 568000.00 439000.00 384000.00 539000.00 562000.00 547000.00 459000.00 381000.00 518000.00 438000.00 386000.00 534000.00 579000.00 653000.00 476000.00 439000.00 494000.00 402000.00 459000.00 583000.00 468000.00 523000.00 591000.00 535000.00 571000.00 642000.00 470000.00 571000.00 499000.00 649000.00 705000.00 623000.00 405000.00 396000.00 448000.00 Creatine 338000000.00 301000000.00 275000000.00 328000000.00 282000000.00 357000000.00 315000000.00 241000000.00 392000000.00 258000000.00 205000000.00 242000000.00 201000000.00 242000000.00 311000000.00 273000000.00 304000000.00 282000000.00 271000000.00 356000000.00 312000000.00 288000000.00 315000000.00 254000000.00 234000000.00 321000000.00 275000000.00 337000000.00 287000000.00 289000000.00 297000000.00 356000000.00 350000000.00 389000000.00 207000000.00 318000000.00 245000000.00 252000000.00 Creatinine 319000000.00 304000000.00 312000000.00 300000000.00 318000000.00 320000000.00 339000000.00 314000000.00 347000000.00 320000000.00 288000000.00 334000000.00 321000000.00 310000000.00 279000000.00 333000000.00 325000000.00 316000000.00 327000000.00 288000000.00 342000000.00 308000000.00 342000000.00 295000000.00 333000000.00 269000000.00 318000000.00 306000000.00 326000000.00 271000000.00 328000000.00 290000000.00 302000000.00 315000000.00 300000000.00 225000000.00 280000000.00 297000000.00 Cysteamine 35600000.00 31400000.00 36400000.00 25000000.00 38700000.00 31600000.00 36300000.00 33300000.00 39200000.00 32900000.00 28400000.00 30900000.00 35200000.00 30200000.00 33900000.00 33000000.00 35300000.00 34400000.00 35000000.00 32500000.00 39800000.00 37700000.00 36100000.00 37800000.00 31400000.00 33100000.00 27400000.00 35100000.00 35900000.00 33000000.00 29000000.00 40500000.00 33200000.00 32300000.00 36000000.00 35300000.00 27300000.00 31000000.00 Cytidine 3310000.00 7350000.00 10200000.00 472000.00 594000.00 841000.00 1500000.00 1030000.00 1410000.00 437000.00 2010000.00 2980000.00 1740000.00 913000.00 1380000.00 1350000.00 2990000.00 610000.00 1740000.00 784000.00 2370000.00 1830000.00 1340000.00 5670000.00 2330000.00 556000.00 1730000.00 14000000.00 3090000.00 1990000.00 1910000.00 3580000.00 958000.00 2280000.00 363000.00 615000.00 2100000.00 1420000.00 Cytosine 2500000.00 2920000.00 3320000.00 2660000.00 2770000.00 2570000.00 2860000.00 3130000.00 2730000.00 2310000.00 2360000.00 2900000.00 3330000.00 3170000.00 2720000.00 2510000.00 2470000.00 3890000.00 3150000.00 2140000.00 2410000.00 2970000.00 2940000.00 2420000.00 2450000.00 2110000.00 2870000.00 2940000.00 3030000.00 2300000.00 4500000.00 1990000.00 2700000.00 2440000.00 2460000.00 2150000.00 2810000.00 2290000.00 Decanoylcarnitine 1510000.00 5560000.00 1470000.00 3930000.00 4420000.00 1240000.00 2660000.00 8420000.00 852000.00 1240000.00 1920000.00 5910000.00 4020000.00 1830000.00 3850000.00 2650000.00 4220000.00 2550000.00 1100000.00 2150000.00 1260000.00 5520000.00 2720000.00 1610000.00 2670000.00 1600000.00 5980000.00 5410000.00 1500000.00 2730000.00 2180000.00 3450000.00 2100000.00 913000.00 3850000.00 3220000.00 4310000.00 1680000.00 Desmosterol 1140000.00 1240000.00 1290000.00 1420000.00 1270000.00 1370000.00 596000.00 946000.00 1250000.00 1450000.00 1460000.00 1800000.00 1950000.00 1280000.00 1390000.00 1410000.00 1340000.00 1560000.00 1150000.00 1620000.00 1040000.00 1480000.00 840000.00 1270000.00 1060000.00 1260000.00 1630000.00 1580000.00 1880000.00 1500000.00 1710000.00 3920000.00 1540000.00 1380000.00 2680000.00 1300000.00 1250000.00 1700000.00 DHC(18:1/16:0) 5290000.00 7020000.00 6740000.00 21700000.00 11200000.00 13300000.00 10100000.00 7740000.00 7380000.00 11500000.00 9730000.00 11900000.00 14700000.00 9780000.00 9410000.00 8350000.00 6070000.00 7400000.00 4570000.00 5720000.00 6410000.00 9070000.00 6150000.00 6440000.00 5570000.00 2320000.00 5380000.00 8690000.00 9820000.00 4310000.00 7730000.00 6850000.00 5820000.00 3370000.00 6050000.00 6650000.00 11300000.00 4980000.00 DHC(18:1/20:0) 14000.00 7650.00 27300.00 20900.00 18500.00 21000.00 19000.00 19900.00 11600.00 6550.00 8800.00 28700.00 34300.00 9580.00 16800.00 9850.00 22900.00 14300.00 9900.00 10600.00 19000.00 12700.00 12600.00 20200.00 10800.00 28800.00 27600.00 30100.00 28000.00 22200.00 25600.00 15100.00 32700.00 21400.00 12200.00 30800.00 30300.00 6260.00 DHC(18:1/22:0) 7710.00 8420.00 26500.00 15500.00 15400.00 35100.00 25400.00 7680.00 14800.00 15600.00 36400.00 30500.00 25200.00 9370.00 38300.00 29800.00 22700.00 26100.00 9380.00 17900.00 24600.00 21000.00 22100.00 18600.00 14200.00 14200.00 20200.00 14900.00 30400.00 17900.00 41700.00 38200.00 26600.00 16400.00 30500.00 20100.00 35700.00 14700.00 DHC(18:1/24:1) 52200.00 61600.00 272000.00 162000.00 137000.00 146000.00 230000.00 101000.00 112000.00 116000.00 164000.00 112000.00 189000.00 131000.00 112000.00 80300.00 93100.00 74600.00 27000.00 95600.00 48800.00 173000.00 70700.00 112000.00 107000.00 55700.00 156000.00 59700.00 85500.00 66400.00 149000.00 85900.00 140000.00 109000.00 114000.00 133000.00 130000.00 109000.00 Dimethylglycine 152000000.00 186000000.00 159000000.00 119000000.00 146000000.00 167000000.00 145000000.00 170000000.00 215000000.00 135000000.00 160000000.00 137000000.00 173000000.00 128000000.00 165000000.00 129000000.00 137000000.00 176000000.00 116000000.00 261000000.00 148000000.00 188000000.00 168000000.00 141000000.00 263000000.00 295000000.00 196000000.00 189000000.00 116000000.00 140000000.00 222000000.00 128000000.00 134000000.00 176000000.00 133000000.00 300000000.00 234000000.00 164000000.00 Dimethyl-L-arginine 43100000.00 44100000.00 40900000.00 43000000.00 39500000.00 37000000.00 36300000.00 44400000.00 44200000.00 41900000.00 42200000.00 37200000.00 56100000.00 39900000.00 34200000.00 39500000.00 40200000.00 42900000.00 37100000.00 40700000.00 42100000.00 46200000.00 58000000.00 39000000.00 47000000.00 36400000.00 43900000.00 49800000.00 34500000.00 37100000.00 45300000.00 33800000.00 40300000.00 39600000.00 32300000.00 36200000.00 47300000.00 44400000.00 DL-2-Aminooctanoic acid 410000.00 420000.00 836000.00 593000.00 503000.00 457000.00 763000.00 377000.00 695000.00 266000.00 438000.00 526000.00 668000.00 993000.00 300000.00 593000.00 665000.00 583000.00 2840000.00 507000.00 607000.00 407000.00 697000.00 471000.00 1230000.00 587000.00 781000.00 421000.00 297000.00 459000.00 437000.00 1730000.00 246000.00 263000.00 530000.00 288000.00 1300000.00 183000000.00 Dodecanoylcarnitine 20500000.00 59700000.00 18500000.00 57400000.00 51500000.00 21100000.00 30400000.00 94400000.00 14200000.00 18400000.00 31200000.00 85200000.00 47200000.00 27800000.00 43900000.00 35600000.00 56700000.00 34200000.00 33700000.00 29700000.00 21700000.00 61500000.00 39000000.00 32800000.00 26600000.00 12700000.00 73500000.00 47100000.00 20000000.00 31300000.00 22700000.00 36900000.00 43700000.00 17000000.00 70600000.00 34100000.00 40600000.00 41200000.00 Dodecenoylcarnitine 9370000.00 26600000.00 6660000.00 20600000.00 19400000.00 9210000.00 13100000.00 31400000.00 9350000.00 7340000.00 7060000.00 28400000.00 18500000.00 13000000.00 13200000.00 10800000.00 20100000.00 12100000.00 7450000.00 11000000.00 6720000.00 16500000.00 15400000.00 5830000.00 17600000.00 9480000.00 22800000.00 16700000.00 7550000.00 9550000.00 7760000.00 13000000.00 10200000.00 5130000.00 19900000.00 11000000.00 19100000.00 16600000.00 Dopamine 4130000.00 1990000.00 1640000.00 2830000.00 1480000.00 1480000.00 2560000.00 2700000.00 2150000.00 2040000.00 1910000.00 4120000.00 10900000.00 1920000.00 1800000.00 1420000.00 2260000.00 2140000.00 1730000.00 2040000.00 2540000.00 2270000.00 1720000.00 1770000.00 3110000.00 1630000.00 2990000.00 2510000.00 3220000.00 3970000.00 4030000.00 2350000.00 1840000.00 2610000.00 2210000.00 1040000.00 1570000.00 1920000.00 Ethanolamine 28100000.00 27400000.00 20400000.00 30200000.00 27100000.00 24000000.00 30100000.00 30300000.00 28400000.00 32900000.00 25300000.00 30900000.00 40100000.00 26600000.00 28700000.00 25800000.00 32200000.00 20400000.00 22000000.00 20600000.00 30900000.00 26200000.00 25400000.00 21500000.00 24000000.00 18900000.00 25700000.00 22500000.00 25600000.00 22800000.00 29100000.00 22000000.00 24900000.00 20400000.00 24900000.00 12500000.00 20300000.00 22600000.00 FAD 21800.00 9890.00 10500.00 7490.00 9660.00 8680.00 8120.00 5850.00 7150.00 10400.00 9790.00 8130.00 12000.00 11500.00 13700.00 7680.00 20200.00 9960.00 7560.00 3130.00 11800.00 10800.00 3000.00 4030.00 6320.00 9330.00 6540.00 5360.00 8820.00 12300.00 13900.00 14700.00 9960.00 8270.00 10400.00 10000.00 13000.00 5970.00 Gamma-Aminobutyric acid 82000.00 110000.00 137000.00 94700.00 87000.00 92800.00 125000.00 141000.00 133000.00 101000.00 107000.00 141000.00 112000.00 102000.00 98500.00 109000.00 104000.00 118000.00 111000.00 184000.00 73400.00 120000.00 88600.00 104000.00 169000.00 119000.00 179000.00 113000.00 70200.00 100000.00 100000.00 78600.00 97300.00 123000.00 84300.00 113000.00 87100.00 95200.00 GC(18:1/16:0) 470000.00 628000.00 690000.00 1020000.00 849000.00 1110000.00 867000.00 674000.00 736000.00 964000.00 822000.00 909000.00 1030000.00 576000.00 734000.00 464000.00 450000.00 380000.00 272000.00 507000.00 409000.00 450000.00 471000.00 278000.00 434000.00 204000.00 399000.00 433000.00 431000.00 278000.00 525000.00 352000.00 328000.00 220000.00 362000.00 433000.00 720000.00 314000.00 Glycerophosphocholine 16100000.00 6150000.00 9860000.00 12300000.00 11600000.00 9610000.00 15200000.00 18700000.00 8760000.00 15600000.00 11700000.00 12100000.00 15000000.00 11300000.00 10500000.00 10100000.00 15200000.00 7340000.00 13000000.00 9130000.00 15300000.00 13000000.00 7910000.00 13500000.00 14300000.00 6050000.00 7130000.00 9950000.00 10000000.00 12700000.00 9390000.00 8320000.00 7450000.00 10400000.00 10300000.00 11400000.00 12300000.00 9450000.00 Glycine 2700000.00 3100000.00 4130000.00 3920000.00 2900000.00 2570000.00 3760000.00 2810000.00 3350000.00 3050000.00 3330000.00 3670000.00 3140000.00 3210000.00 3230000.00 2980000.00 2080000.00 2120000.00 3070000.00 2960000.00 3420000.00 3540000.00 4050000.00 2740000.00 3970000.00 3570000.00 2660000.00 2790000.00 2840000.00 1720000.00 3550000.00 3490000.00 3810000.00 4150000.00 3190000.00 2450000.00 3560000.00 4100000.00 Glycylproline 138000.00 63200.00 80000.00 80700.00 63600.00 72100.00 60800.00 120000.00 76800.00 70800.00 68500.00 22300.00 69400.00 49000.00 108000.00 56200.00 87700.00 36600.00 50300.00 44100.00 66400.00 87900.00 53400.00 64300.00 110000.00 73700.00 65700.00 71000.00 60500.00 72300.00 79500.00 129000.00 96800.00 116000.00 40900.00 70500.00 89000.00 71000.00 Hexanoylcarnitine 29100000.00 70100000.00 28800000.00 43500000.00 57500000.00 32000000.00 45000000.00 92000000.00 16900000.00 21100000.00 36000000.00 97500000.00 66600000.00 34300000.00 42900000.00 55200000.00 55500000.00 43400000.00 24100000.00 31900000.00 27100000.00 75700000.00 40500000.00 32100000.00 89300000.00 49000000.00 90600000.00 57200000.00 29000000.00 77500000.00 32900000.00 52100000.00 39200000.00 28100000.00 54900000.00 82700000.00 61000000.00 26000000.00 Histamine 2560000.00 2570000.00 2740000.00 2580000.00 2450000.00 2500000.00 2480000.00 2610000.00 2660000.00 2070000.00 1870000.00 2900000.00 2710000.00 2650000.00 2510000.00 1810000.00 22400.00 3030000.00 2690000.00 1840000.00 1970000.00 2500000.00 2650000.00 2140000.00 2210000.00 1070000.00 2380000.00 2440000.00 2350000.00 2120000.00 3800000.00 1780000.00 2290000.00 2290000.00 2370000.00 1880000.00 2680000.00 2030000.00 Homoarginine 8670000.00 7400000.00 4410000.00 6570000.00 6680000.00 9770000.00 6260000.00 7870000.00 9390000.00 10800000.00 5720000.00 7090000.00 5690000.00 4390000.00 6490000.00 11200000.00 6710000.00 7660000.00 5650000.00 3420000.00 9910000.00 9900000.00 21800000.00 5270000.00 6300000.00 11500000.00 8670000.00 13000000.00 4150000.00 6530000.00 10000000.00 5280000.00 6970000.00 11400000.00 4320000.00 6270000.00 8880000.00 6130000.00 Homocysteine 85800.00 104000.00 110000.00 87100.00 101000.00 74000.00 89400.00 100000.00 74400.00 84300.00 91700.00 90300.00 93600.00 99100.00 88900.00 102000.00 102000.00 82000.00 97400.00 80400.00 81600.00 113000.00 111000.00 86000.00 107000.00 78200.00 113000.00 97300.00 88800.00 84500.00 86300.00 95300.00 104000.00 94500.00 77400.00 108000.00 81500.00 87500.00 Hydroxyproline 12700000.00 11200000.00 7070000.00 10600000.00 19900000.00 13900000.00 10800000.00 19400000.00 27700000.00 10800000.00 6420000.00 12800000.00 21100000.00 17200000.00 7960000.00 31700000.00 11500000.00 9640000.00 13400000.00 20600000.00 10100000.00 10300000.00 28400000.00 16200000.00 12600000.00 51100000.00 26900000.00 21000000.00 16100000.00 10400000.00 17200000.00 27200000.00 28200000.00 41500000.00 5980000.00 26700000.00 15600000.00 29700000.00 Hypotaurine 551000.00 268000.00 306000.00 352000.00 305000.00 226000.00 367000.00 373000.00 543000.00 291000.00 326000.00 211000.00 278000.00 265000.00 327000.00 256000.00 269000.00 245000.00 230000.00 406000.00 281000.00 493000.00 385000.00 196000.00 177000.00 216000.00 234000.00 571000.00 341000.00 346000.00 273000.00 422000.00 444000.00 282000.00 412000.00 291000.00 212000.00 340000.00 Imidazoleacetic acid 2040000.00 1570000.00 1650000.00 1920000.00 1590000.00 1840000.00 1660000.00 1570000.00 1660000.00 1970000.00 1210000.00 1380000.00 2180000.00 1510000.00 1280000.00 1620000.00 1650000.00 1570000.00 1310000.00 1460000.00 1640000.00 2140000.00 1510000.00 1730000.00 1850000.00 1420000.00 1840000.00 1690000.00 1860000.00 1950000.00 1420000.00 1060000.00 1380000.00 1060000.00 920000.00 1710000.00 1790000.00 1760000.00 Isovalerylcarnitine 217000000.00 148000000.00 91400000.00 148000000.00 205000000.00 248000000.00 115000000.00 123000000.00 222000000.00 111000000.00 167000000.00 188000000.00 188000000.00 164000000.00 122000000.00 203000000.00 197000000.00 201000000.00 164000000.00 136000000.00 179000000.00 254000000.00 201000000.00 115000000.00 154000000.00 297000000.00 156000000.00 256000000.00 208000000.00 209000000.00 71700000.00 130000000.00 83100000.00 178000000.00 185000000.00 413000000.00 79200000.00 125000000.00 L-Acetylcarnitine 1070000000.00 1110000000.00 1160000000.00 1130000000.00 1160000000.00 1120000000.00 1130000000.00 1110000000.00 850000000.00 968000000.00 1070000000.00 1170000000.00 1190000000.00 1180000000.00 1120000000.00 1110000000.00 1170000000.00 1120000000.00 1060000000.00 1110000000.00 905000000.00 1180000000.00 1160000000.00 1040000000.00 983000000.00 1160000000.00 1060000000.00 1120000000.00 1060000000.00 1120000000.00 936000000.00 1180000000.00 1070000000.00 891000000.00 1200000000.00 1120000000.00 1170000000.00 1170000000.00 L-Asparagine 8710000.00 9860000.00 9600000.00 10300000.00 12800000.00 8070000.00 8770000.00 8740000.00 11400000.00 8860000.00 10300000.00 8400000.00 10700000.00 10200000.00 7500000.00 10200000.00 8080000.00 8650000.00 7500000.00 9720000.00 9490000.00 10700000.00 12600000.00 13800000.00 14200000.00 14700000.00 7900000.00 11000000.00 7800000.00 7460000.00 7480000.00 11300000.00 9010000.00 14200000.00 8670000.00 14400000.00 9630000.00 8410000.00 Lathosterol 461000.00 618000.00 483000.00 483000.00 455000.00 617000.00 413000.00 352000.00 465000.00 640000.00 346000.00 653000.00 845000.00 655000.00 388000.00 266000.00 527000.00 353000.00 240000.00 256000.00 223000.00 347000.00 263000.00 334000.00 309000.00 279000.00 247000.00 405000.00 246000.00 237000.00 267000.00 230000.00 242000.00 289000.00 280000.00 250000.00 299000.00 265000.00 L-Carnitine 24300000.00 24600000.00 19100000.00 20700000.00 18600000.00 22400000.00 21800000.00 20100000.00 17500000.00 19600000.00 17700000.00 21500000.00 20100000.00 19600000.00 20200000.00 21400000.00 18000000.00 19300000.00 21300000.00 21800000.00 18700000.00 18300000.00 19900000.00 15800000.00 22000000.00 21500000.00 21800000.00 20500000.00 22300000.00 20900000.00 16800000.00 18500000.00 23400000.00 16600000.00 18600000.00 19800000.00 18600000.00 19800000.00 L-Glutamic acid 20900000.00 9860000.00 19300000.00 13100000.00 22200000.00 13500000.00 10300000.00 12300000.00 26800000.00 19700000.00 17600000.00 20600000.00 24100000.00 27900000.00 12500000.00 16600000.00 17000000.00 46200000.00 32000000.00 23500000.00 26300000.00 22700000.00 14200000.00 21500000.00 21900000.00 29200000.00 18500000.00 33400000.00 25900000.00 31400000.00 12600000.00 19600000.00 10800000.00 37000000.00 13800000.00 13200000.00 7590000.00 23800000.00 L-Glutamine 518000000.00 513000000.00 493000000.00 485000000.00 500000000.00 513000000.00 506000000.00 524000000.00 516000000.00 517000000.00 509000000.00 492000000.00 510000000.00 504000000.00 489000000.00 530000000.00 519000000.00 506000000.00 500000000.00 480000000.00 505000000.00 511000000.00 536000000.00 512000000.00 500000000.00 434000000.00 523000000.00 525000000.00 482000000.00 520000000.00 492000000.00 507000000.00 502000000.00 540000000.00 473000000.00 489000000.00 497000000.00 483000000.00 L-Glutarylcarnitine 8530000.00 10800000.00 10300000.00 8540000.00 9810000.00 9760000.00 13600000.00 12200000.00 9530000.00 12400000.00 10300000.00 11200000.00 13000000.00 7390000.00 8040000.00 8880000.00 6810000.00 7380000.00 9360000.00 8370000.00 9400000.00 9250000.00 11700000.00 6760000.00 12900000.00 10400000.00 15800000.00 15300000.00 5600000.00 9640000.00 6120000.00 7990000.00 7300000.00 9030000.00 7430000.00 13700000.00 7630000.00 8350000.00 L-Histidine 95500000.00 90100000.00 90900000.00 101000000.00 100000000.00 94600000.00 87600000.00 99100000.00 103000000.00 98500000.00 92700000.00 97200000.00 95600000.00 98500000.00 91500000.00 102000000.00 89700000.00 101000000.00 80500000.00 82300000.00 99600000.00 117000000.00 107000000.00 120000000.00 103000000.00 109000000.00 86100000.00 98400000.00 92200000.00 92400000.00 85900000.00 94300000.00 103000000.00 106000000.00 90300000.00 117000000.00 97400000.00 90500000.00 L-Homoserine 422000.00 512000.00 541000.00 497000.00 354000.00 536000.00 540000.00 566000.00 429000.00 550000.00 532000.00 406000.00 424000.00 414000.00 286000.00 1800000.00 430000.00 441000.00 385000.00 603000.00 545000.00 438000.00 626000.00 645000.00 603000.00 930000.00 589000.00 466000.00 333000.00 335000.00 518000.00 500000.00 354000.00 505000.00 393000.00 3060000.00 565000.00 614000.00 Linoleylcarnitine 169000.00 272000.00 257000.00 246000.00 300000.00 216000.00 224000.00 173000.00 163000.00 189000.00 165000.00 319000.00 274000.00 218000.00 234000.00 143000.00 285000.00 204000.00 140000.00 159000.00 118000.00 218000.00 359000.00 217000.00 259000.00 349000.00 252000.00 132000.00 207000.00 237000.00 206000.00 191000.00 112000.00 136000.00 222000.00 211000.00 423000.00 239000.00 L-isoleucine 691000000.00 662000000.00 691000000.00 671000000.00 795000000.00 752000000.00 660000000.00 715000000.00 783000000.00 769000000.00 694000000.00 768000000.00 659000000.00 755000000.00 658000000.00 845000000.00 848000000.00 861000000.00 784000000.00 674000000.00 727000000.00 817000000.00 835000000.00 710000000.00 730000000.00 835000000.00 699000000.00 874000000.00 709000000.00 790000000.00 640000000.00 790000000.00 653000000.00 860000000.00 663000000.00 942000000.00 637000000.00 650000000.00 L-Kynurenine 14100000.00 26400000.00 11700000.00 18900000.00 14200000.00 14000000.00 16800000.00 14900000.00 14400000.00 20000000.00 15200000.00 21000000.00 27800000.00 15900000.00 17000000.00 16800000.00 19400000.00 16300000.00 23700000.00 14100000.00 18900000.00 19800000.00 17900000.00 11700000.00 18300000.00 16100000.00 16000000.00 35300000.00 21000000.00 23400000.00 16800000.00 16200000.00 18300000.00 12000000.00 15800000.00 13800000.00 16800000.00 15000000.00 L-leucine 762000000.00 739000000.00 773000000.00 751000000.00 883000000.00 837000000.00 733000000.00 798000000.00 872000000.00 849000000.00 777000000.00 854000000.00 728000000.00 843000000.00 739000000.00 927000000.00 941000000.00 945000000.00 861000000.00 754000000.00 812000000.00 911000000.00 913000000.00 797000000.00 813000000.00 924000000.00 769000000.00 958000000.00 794000000.00 875000000.00 722000000.00 878000000.00 739000000.00 955000000.00 749000000.00 1040000000.00 723000000.00 727000000.00 L-Lysine 363000000.00 356000000.00 349000000.00 358000000.00 384000000.00 354000000.00 362000000.00 358000000.00 388000000.00 373000000.00 372000000.00 366000000.00 373000000.00 348000000.00 350000000.00 376000000.00 375000000.00 375000000.00 322000000.00 321000000.00 360000000.00 382000000.00 397000000.00 362000000.00 365000000.00 391000000.00 371000000.00 395000000.00 358000000.00 358000000.00 365000000.00 369000000.00 376000000.00 400000000.00 349000000.00 360000000.00 357000000.00 357000000.00 L-Methionine 162000000.00 138000000.00 125000000.00 144000000.00 196000000.00 187000000.00 140000000.00 174000000.00 244000000.00 191000000.00 193000000.00 199000000.00 234000000.00 170000000.00 151000000.00 236000000.00 250000000.00 250000000.00 175000000.00 144000000.00 204000000.00 259000000.00 320000000.00 246000000.00 118000000.00 402000000.00 201000000.00 315000000.00 172000000.00 199000000.00 148000000.00 252000000.00 169000000.00 320000000.00 195000000.00 483000000.00 169000000.00 162000000.00 L-Palmitoylcarnitine 31600000.00 40200000.00 28600000.00 36400000.00 54000000.00 25800000.00 29900000.00 55600000.00 23600000.00 30900000.00 15100000.00 56000000.00 42900000.00 36500000.00 24800000.00 40300000.00 37600000.00 29900000.00 39100000.00 14100000.00 24500000.00 43900000.00 31700000.00 -1120000.00 23900000.00 15500000.00 31800000.00 32400000.00 25900000.00 40900000.00 23000000.00 23000000.00 31900000.00 20700000.00 32000000.00 30900000.00 32300000.00 37600000.00 L-Phenylalanine 257000000.00 206000000.00 228000000.00 217000000.00 277000000.00 243000000.00 195000000.00 214000000.00 287000000.00 258000000.00 201000000.00 317000000.00 262000000.00 283000000.00 263000000.00 265000000.00 273000000.00 326000000.00 245000000.00 209000000.00 254000000.00 285000000.00 283000000.00 232000000.00 236000000.00 296000000.00 216000000.00 275000000.00 241000000.00 282000000.00 209000000.00 237000000.00 220000000.00 285000000.00 217000000.00 273000000.00 194000000.00 199000000.00 L-Proline 283000000.00 236000000.00 274000000.00 279000000.00 308000000.00 299000000.00 257000000.00 296000000.00 285000000.00 348000000.00 293000000.00 298000000.00 327000000.00 304000000.00 320000000.00 315000000.00 282000000.00 335000000.00 259000000.00 229000000.00 326000000.00 330000000.00 317000000.00 303000000.00 328000000.00 375000000.00 258000000.00 310000000.00 252000000.00 353000000.00 302000000.00 287000000.00 283000000.00 309000000.00 303000000.00 342000000.00 296000000.00 266000000.00 L-Serine 14100000.00 16000000.00 21300000.00 19400000.00 28900000.00 15100000.00 14700000.00 17400000.00 22400000.00 17400000.00 19400000.00 16100000.00 18900000.00 16100000.00 11500000.00 18700000.00 16800000.00 17200000.00 14100000.00 18700000.00 20300000.00 18800000.00 28500000.00 16100000.00 21700000.00 27500000.00 21500000.00 19700000.00 17100000.00 15900000.00 21200000.00 25600000.00 20900000.00 31200000.00 25300000.00 37300000.00 21800000.00 17100000.00 L-Tryptophan 292000000.00 284000000.00 238000000.00 287000000.00 330000000.00 260000000.00 255000000.00 229000000.00 316000000.00 294000000.00 256000000.00 270000000.00 271000000.00 250000000.00 283000000.00 311000000.00 289000000.00 312000000.00 270000000.00 239000000.00 249000000.00 312000000.00 345000000.00 248000000.00 166000000.00 306000000.00 225000000.00 310000000.00 285000000.00 263000000.00 257000000.00 231000000.00 295000000.00 311000000.00 228000000.00 330000000.00 233000000.00 207000000.00 L-Tyrosine 9120000.00 7930000.00 7380000.00 8740000.00 10300000.00 9170000.00 6130000.00 8980000.00 9330000.00 10800000.00 6150000.00 9860000.00 10800000.00 9850000.00 9130000.00 7830000.00 12800000.00 14600000.00 11000000.00 7210000.00 9240000.00 12100000.00 11800000.00 11500000.00 10500000.00 12200000.00 5180000.00 12600000.00 8630000.00 12500000.00 7860000.00 10800000.00 4830000.00 11000000.00 8080000.00 13900000.00 5190000.00 7300000.00 L-Valine 11900000.00 10000000.00 12900000.00 9910000.00 18900000.00 15600000.00 11500000.00 12800000.00 16900000.00 16300000.00 14800000.00 16300000.00 11700000.00 13900000.00 13700000.00 19400000.00 23600000.00 21700000.00 14400000.00 9650000.00 15800000.00 17200000.00 17800000.00 14400000.00 15600000.00 21500000.00 15100000.00 20100000.00 14400000.00 17400000.00 10300000.00 15600000.00 12500000.00 22200000.00 13300000.00 25400000.00 11900000.00 9960000.00 LysoPC(16:0) 2770000.00 2280000.00 2230000.00 1870000.00 1990000.00 2100000.00 1530000.00 1960000.00 1770000.00 2490000.00 2460000.00 2790000.00 2920000.00 1640000.00 2520000.00 2980000.00 2330000.00 1890000.00 2110000.00 1950000.00 1600000.00 2460000.00 1290000.00 1270000.00 2220000.00 1530000.00 1490000.00 1800000.00 1830000.00 2800000.00 2160000.00 1620000.00 2340000.00 2460000.00 1140000.00 1450000.00 2130000.00 2050000.00 LysoPC(18:0) 17000000.00 12000000.00 10900000.00 14600000.00 13100000.00 14800000.00 11600000.00 9670000.00 10900000.00 16200000.00 16700000.00 19700000.00 18600000.00 11900000.00 16300000.00 20700000.00 17600000.00 10600000.00 17700000.00 14000000.00 15400000.00 15200000.00 10200000.00 8120000.00 12800000.00 14800000.00 11300000.00 13000000.00 7950000.00 15300000.00 14800000.00 13000000.00 18300000.00 15800000.00 8660000.00 9180000.00 15200000.00 12800000.00 LysoPC(24:1) 9470.00 8310.00 9220.00 14800.00 5720.00 21300.00 8870.00 22200.00 13100.00 26200.00 48600.00 15900.00 24200.00 22400.00 33700.00 34600.00 25800.00 36700.00 24100.00 31400.00 71200.00 22500.00 15100.00 25700.00 22200.00 4240.00 3330.00 22000.00 31200.00 25700.00 35600.00 33900.00 190000.00 10500.00 14900.00 13600.00 9990.00 21000.00 Malonylcarnitine 15800000.00 23700000.00 70000000.00 20100000.00 43900000.00 18000000.00 13500000.00 30800000.00 11200000.00 13000000.00 17500000.00 34200000.00 25400000.00 22700000.00 17900000.00 73000000.00 48500000.00 35200000.00 15900000.00 20700000.00 11200000.00 21200000.00 24000000.00 17600000.00 69100000.00 28600000.00 87800000.00 26100000.00 16900000.00 24800000.00 8660000.00 36100000.00 16500000.00 10900000.00 57100000.00 19500000.00 47600000.00 24200000.00 Methionine sulfoxide 465000.00 447000.00 733000.00 345000.00 557000.00 423000.00 332000.00 308000.00 507000.00 452000.00 1270000.00 271000.00 353000.00 521000.00 316000.00 556000.00 487000.00 536000.00 659000.00 402000.00 613000.00 601000.00 730000.00 623000.00 1090000.00 1230000.00 517000.00 884000.00 373000.00 577000.00 805000.00 520000.00 411000.00 1380000.00 229000.00 1000000.00 378000.00 697000.00 Methylcysteine 11500000.00 17000000.00 16900000.00 36700000.00 20600000.00 9450000.00 18100000.00 15500000.00 14900000.00 8860000.00 53800000.00 17700000.00 17200000.00 11600000.00 21000000.00 26000000.00 14500000.00 17500000.00 12200000.00 11500000.00 19900000.00 10400000.00 18100000.00 22700000.00 18000000.00 61300000.00 44900000.00 13900000.00 26300000.00 15800000.00 35300000.00 26000000.00 24100000.00 101000000.00 54800000.00 21800000.00 71400000.00 18500000.00 Myristoylcarnitine 12400000.00 23100000.00 13400000.00 17900000.00 27600000.00 10800000.00 13200000.00 35100000.00 8840000.00 12000000.00 12500000.00 30600000.00 25200000.00 17200000.00 16100000.00 21000000.00 26100000.00 20000000.00 18000000.00 11300000.00 11300000.00 32100000.00 19100000.00 10800000.00 12100000.00 6550000.00 20800000.00 20000000.00 12700000.00 19400000.00 9810000.00 18600000.00 20300000.00 8830000.00 26800000.00 17200000.00 14200000.00 20100000.00 N-Acetylornithine 1770000.00 1790000.00 1690000.00 1510000.00 1630000.00 1450000.00 1560000.00 1450000.00 1660000.00 1420000.00 1530000.00 1330000.00 2020000.00 1690000.00 1600000.00 1760000.00 1660000.00 1690000.00 1770000.00 1630000.00 1710000.00 2010000.00 2200000.00 1890000.00 1920000.00 1940000.00 1690000.00 1930000.00 1440000.00 1510000.00 1780000.00 1650000.00 1520000.00 2040000.00 1380000.00 1800000.00 1750000.00 1460000.00 N-alpha-Acetylarginine 1970000.00 3500000.00 2000000.00 972000.00 3390000.00 3020000.00 1400000.00 1700000.00 2780000.00 2330000.00 2080000.00 985000.00 1710000.00 1600000.00 2270000.00 2410000.00 1500000.00 1780000.00 1210000.00 2890000.00 1670000.00 2270000.00 1530000.00 2070000.00 1290000.00 2360000.00 1290000.00 4540000.00 2770000.00 1590000.00 2470000.00 1540000.00 1990000.00 1400000.00 1360000.00 2350000.00 1730000.00 2900000.00 Niacinamide 1780000.00 926000.00 772000.00 1820000.00 960000.00 1190000.00 632000.00 3170000.00 1030000.00 504000.00 919000.00 533000.00 474000.00 488000.00 552000.00 308000.00 606000.00 387000.00 652000.00 781000.00 756000.00 609000.00 827000.00 7500000.00 705000.00 5720000.00 7430000.00 586000.00 1170000.00 1040000.00 695000.00 343000.00 537000.00 1920000.00 379000.00 238000.00 260000.00 144000000.00 Nicotinamide N-oxide 429000.00 161000.00 542000.00 273000.00 274000.00 670000.00 268000.00 672000.00 818000.00 328000.00 4240000.00 251000.00 280000.00 289000.00 313000.00 185000.00 105000.00 97600.00 214000.00 263000.00 332000.00 238000.00 313000.00 2850000.00 291000.00 2020000.00 2160000.00 293000.00 678000.00 236000.00 126000.00 153000.00 210000.00 434000.00 219000.00 60500.00 131000.00 72500000.00 N-oleoylethanolamine 896000.00 827000.00 1800000.00 1570000.00 1400000.00 618000.00 942000.00 1050000.00 611000.00 924000.00 1100000.00 1420000.00 1230000.00 888000.00 523000.00 1140000.00 584000.00 866000.00 875000.00 778000.00 494000.00 1580000.00 1180000.00 1470000.00 1880000.00 1340000.00 1510000.00 816000.00 993000.00 895000.00 1220000.00 858000.00 1230000.00 849000.00 1200000.00 1200000.00 807000.00 1090000.00 O-acetylserine 290000.00 320000.00 350000.00 290000.00 299000.00 290000.00 331000.00 360000.00 329000.00 221000.00 263000.00 280000.00 289000.00 262000.00 122000.00 291000.00 204000.00 259000.00 282000.00 247000.00 293000.00 316000.00 353000.00 284000.00 327000.00 262000.00 303000.00 281000.00 209000.00 400000.00 268000.00 187000.00 217000.00 298000.00 220000.00 269000.00 247000.00 280000.00 Octadecanoylcarnitine 2760000.00 3980000.00 2100000.00 3370000.00 4660000.00 2580000.00 2640000.00 4360000.00 2980000.00 2420000.00 1540000.00 3950000.00 3440000.00 4320000.00 1890000.00 4920000.00 4390000.00 2470000.00 5640000.00 2150000.00 2990000.00 3290000.00 3100000.00 1850000.00 2360000.00 1950000.00 4810000.00 3610000.00 2310000.00 3540000.00 2060000.00 2710000.00 3670000.00 3760000.00 3270000.00 2150000.00 2290000.00 3600000.00 Octanoylcarnitine 127000000.00 329000000.00 119000000.00 285000000.00 225000000.00 124000000.00 203000000.00 359000000.00 69600000.00 101000000.00 149000000.00 337000000.00 274000000.00 147000000.00 217000000.00 174000000.00 260000000.00 153000000.00 121000000.00 188000000.00 111000000.00 311000000.00 195000000.00 125000000.00 295000000.00 171000000.00 312000000.00 322000000.00 114000000.00 181000000.00 172000000.00 194000000.00 161000000.00 77500000.00 249000000.00 200000000.00 243000000.00 130000000.00 Oleoylcarnitine 316000.00 576000.00 490000.00 411000.00 621000.00 316000.00 587000.00 434000.00 229000.00 395000.00 462000.00 639000.00 745000.00 458000.00 375000.00 502000.00 459000.00 514000.00 332000.00 445000.00 233000.00 576000.00 528000.00 293000.00 679000.00 373000.00 785000.00 337000.00 337000.00 493000.00 467000.00 548000.00 341000.00 283000.00 430000.00 668000.00 801000.00 557000.00 Ornithine 3360000.00 3390000.00 3480000.00 3960000.00 5010000.00 3680000.00 2930000.00 2450000.00 3300000.00 5480000.00 3960000.00 3050000.00 3060000.00 4680000.00 3090000.00 4700000.00 4980000.00 4210000.00 4020000.00 2520000.00 4430000.00 3800000.00 4640000.00 4440000.00 4230000.00 6720000.00 3540000.00 6290000.00 3000000.00 4330000.00 2770000.00 6520000.00 2950000.00 5190000.00 3020000.00 5400000.00 3520000.00 3420000.00 Palmitoylethanolamide 450000.00 309000.00 657000.00 783000.00 735000.00 393000.00 416000.00 654000.00 403000.00 458000.00 385000.00 760000.00 527000.00 499000.00 359000.00 614000.00 326000.00 406000.00 362000.00 248000.00 382000.00 863000.00 553000.00 768000.00 524000.00 442000.00 493000.00 321000.00 431000.00 490000.00 537000.00 334000.00 442000.00 445000.00 448000.00 507000.00 341000.00 566000.00 PC(16:0/16:0) 3560000.00 3420000.00 4460000.00 4570000.00 5880000.00 3940000.00 3570000.00 4840000.00 4080000.00 6120000.00 4770000.00 6150000.00 5220000.00 3890000.00 5630000.00 3980000.00 3920000.00 3980000.00 3250000.00 3700000.00 3710000.00 4180000.00 3670000.00 3810000.00 2820000.00 4200000.00 2880000.00 3480000.00 5570000.00 3910000.00 3400000.00 2410000.00 4500000.00 2430000.00 2060000.00 2770000.00 3070000.00 4110000.00 PC(16:0/18:1) 22200000.00 21200000.00 30000000.00 19900000.00 27500000.00 22800000.00 23600000.00 29100000.00 17700000.00 36600000.00 26800000.00 29600000.00 24500000.00 25800000.00 37300000.00 32700000.00 29600000.00 22000000.00 29000000.00 18800000.00 22300000.00 28400000.00 26500000.00 26600000.00 25700000.00 27400000.00 32600000.00 30300000.00 37900000.00 27600000.00 30400000.00 24300000.00 35000000.00 22200000.00 21900000.00 27400000.00 27300000.00 25600000.00 PC(16:0/18:2) 8000000.00 7580000.00 8140000.00 7850000.00 8530000.00 8430000.00 6050000.00 7410000.00 6460000.00 6500000.00 7270000.00 8480000.00 7750000.00 8780000.00 8530000.00 7810000.00 9390000.00 8390000.00 7730000.00 6590000.00 7500000.00 6610000.00 7420000.00 10500000.00 8030000.00 7840000.00 8120000.00 8720000.00 8490000.00 7790000.00 8730000.00 8300000.00 6140000.00 7080000.00 8770000.00 7810000.00 8610000.00 9560000.00 PC(16:0/20:4) 4710000.00 3420000.00 2800000.00 4320000.00 4320000.00 2780000.00 3750000.00 5040000.00 4410000.00 3680000.00 2680000.00 3610000.00 2980000.00 4290000.00 4950000.00 3310000.00 3580000.00 3800000.00 3380000.00 1390000.00 2940000.00 3880000.00 3320000.00 2960000.00 3600000.00 2980000.00 1610000.00 2920000.00 3630000.00 3610000.00 2880000.00 3240000.00 3170000.00 5080000.00 3770000.00 4020000.00 2200000.00 3110000.00 PC(16:0/22:6) 2910000.00 1950000.00 4450000.00 3540000.00 2560000.00 1700000.00 2650000.00 2590000.00 2910000.00 2860000.00 1240000.00 2090000.00 2310000.00 2000000.00 2920000.00 1640000.00 2840000.00 3220000.00 3920000.00 2190000.00 4260000.00 1730000.00 2390000.00 2860000.00 2430000.00 3160000.00 2180000.00 1820000.00 2160000.00 2810000.00 3130000.00 1350000.00 1960000.00 6580000.00 1270000.00 3300000.00 3040000.00 3420000.00 PC(18:0/18:2) 15900000.00 16700000.00 18700000.00 17100000.00 21700000.00 27300000.00 14800000.00 13200000.00 17100000.00 23300000.00 21000000.00 23500000.00 17900000.00 20800000.00 22000000.00 21600000.00 21200000.00 18400000.00 20100000.00 21800000.00 21600000.00 15500000.00 20200000.00 21600000.00 21400000.00 25400000.00 23300000.00 21000000.00 15600000.00 20700000.00 19800000.00 22300000.00 20100000.00 14800000.00 18000000.00 22200000.00 21900000.00 16100000.00 PC(18:1/22:6) 55000.00 53900.00 85400.00 99400.00 81200.00 56800.00 91800.00 63700.00 90300.00 71300.00 59800.00 88200.00 61900.00 113000.00 123000.00 72100.00 61100.00 117000.00 49600.00 37500.00 86800.00 91400.00 59500.00 82500.00 67000.00 38500.00 51900.00 45200.00 42200.00 54400.00 78500.00 58600.00 137000.00 93600.00 78500.00 71200.00 66400.00 48400.00 PC(20:4/P-16:0) 3380000.00 2510000.00 2780000.00 4090000.00 4480000.00 3020000.00 3510000.00 5030000.00 8050000.00 3690000.00 1330000.00 2140000.00 2610000.00 2880000.00 4020000.00 3050000.00 2880000.00 2740000.00 3230000.00 2180000.00 3680000.00 2870000.00 4530000.00 3530000.00 3070000.00 2530000.00 1900000.00 3130000.00 5090000.00 2300000.00 4670000.00 2770000.00 4260000.00 6770000.00 2000000.00 2970000.00 2330000.00 2470000.00 PC(20:5/P-16:0) 250000.00 155000.00 597000.00 177000.00 212000.00 197000.00 219000.00 270000.00 421000.00 327000.00 191000.00 189000.00 212000.00 157000.00 319000.00 236000.00 242000.00 243000.00 569000.00 641000.00 423000.00 204000.00 264000.00 447000.00 166000.00 630000.00 216000.00 279000.00 721000.00 228000.00 372000.00 148000.00 276000.00 721000.00 135000.00 253000.00 550000.00 357000.00 PC(22:6/P-18:0) 128000.00 214000.00 412000.00 268000.00 211000.00 210000.00 263000.00 230000.00 489000.00 310000.00 183000.00 160000.00 216000.00 128000.00 317000.00 247000.00 274000.00 223000.00 286000.00 323000.00 535000.00 156000.00 282000.00 395000.00 282000.00 580000.00 412000.00 268000.00 216000.00 236000.00 316000.00 258000.00 360000.00 656000.00 131000.00 457000.00 404000.00 267000.00 PC(24:0/P-18:0) 58700.00 46800.00 61600.00 75200.00 68900.00 65200.00 50500.00 41700.00 88400.00 159000.00 96200.00 108000.00 106000.00 83700.00 95700.00 50400.00 31500.00 66900.00 68000.00 61500.00 34100.00 79000.00 72300.00 41200.00 84500.00 157000.00 51200.00 76100.00 69300.00 76100.00 85300.00 52900.00 121000.00 80000.00 62500.00 111000.00 76700.00 68300.00 PC(30:0) 3930000.00 4710000.00 5370000.00 5990000.00 8140000.00 5510000.00 3860000.00 6930000.00 6060000.00 6480000.00 6550000.00 7970000.00 6320000.00 6010000.00 5770000.00 5080000.00 5410000.00 4850000.00 4410000.00 4850000.00 5190000.00 4710000.00 4720000.00 4280000.00 3860000.00 3470000.00 3210000.00 3790000.00 5590000.00 4050000.00 4030000.00 4210000.00 6270000.00 3310000.00 2740000.00 3470000.00 3780000.00 4400000.00 PC(32:1) 1220000.00 1110000.00 1000000.00 1230000.00 1510000.00 984000.00 1100000.00 2140000.00 886000.00 1840000.00 1040000.00 1790000.00 1410000.00 1280000.00 1770000.00 1030000.00 1000000.00 1020000.00 1390000.00 740000.00 943000.00 1120000.00 898000.00 882000.00 868000.00 957000.00 600000.00 1110000.00 2030000.00 1470000.00 1020000.00 655000.00 1700000.00 746000.00 578000.00 930000.00 570000.00 1380000.00 PC(32:2) 7100000.00 8900000.00 8420000.00 11400000.00 11100000.00 8660000.00 7730000.00 10700000.00 7230000.00 11700000.00 7940000.00 15700000.00 9180000.00 8690000.00 8760000.00 10300000.00 9000000.00 7910000.00 7910000.00 5820000.00 10000000.00 7890000.00 8220000.00 9340000.00 11200000.00 5540000.00 6700000.00 9000000.00 5660000.00 7690000.00 6790000.00 7420000.00 7710000.00 7930000.00 7820000.00 10000000.00 8320000.00 8630000.00 PC(36:0) 1150000.00 922000.00 1950000.00 1240000.00 1380000.00 1400000.00 1170000.00 1580000.00 1900000.00 1890000.00 1330000.00 1400000.00 1260000.00 1160000.00 1930000.00 1590000.00 1670000.00 1320000.00 1760000.00 1900000.00 2020000.00 1230000.00 1500000.00 1770000.00 1160000.00 1930000.00 1850000.00 1630000.00 1900000.00 1450000.00 1720000.00 1320000.00 1900000.00 2490000.00 845000.00 1600000.00 1880000.00 1320000.00 PC(36:1) 10500000.00 10400000.00 13700000.00 13400000.00 12500000.00 17800000.00 13400000.00 12500000.00 11900000.00 19000000.00 16000000.00 15600000.00 12600000.00 13900000.00 17800000.00 18400000.00 15900000.00 14100000.00 16000000.00 15600000.00 15000000.00 13400000.00 13200000.00 13700000.00 12400000.00 17300000.00 20100000.00 15000000.00 14400000.00 14700000.00 16600000.00 16900000.00 19400000.00 11300000.00 11300000.00 17200000.00 16700000.00 11200000.00 PC(38:5) 7700000.00 7640000.00 17000000.00 9610000.00 6360000.00 5210000.00 8020000.00 5900000.00 10100000.00 12500000.00 4990000.00 7160000.00 7770000.00 4660000.00 12400000.00 6470000.00 10100000.00 11300000.00 14600000.00 8930000.00 12500000.00 6380000.00 8070000.00 8840000.00 7320000.00 18400000.00 9170000.00 7980000.00 7560000.00 9930000.00 9450000.00 5990000.00 6280000.00 20100000.00 5340000.00 14800000.00 11400000.00 11300000.00 PC(40:6) 2830000.00 2700000.00 5610000.00 4590000.00 2310000.00 3300000.00 2820000.00 1920000.00 4030000.00 5070000.00 1690000.00 3600000.00 3380000.00 2030000.00 4520000.00 2320000.00 3110000.00 5430000.00 5990000.00 4250000.00 5260000.00 3390000.00 3030000.00 2940000.00 2600000.00 7690000.00 3020000.00 3000000.00 2540000.00 4360000.00 4000000.00 2410000.00 3050000.00 7210000.00 1990000.00 7020000.00 4230000.00 3530000.00 Phosphorylcholine 6270000.00 1300000.00 2370000.00 1350000.00 3260000.00 1710000.00 2500000.00 5420000.00 2780000.00 2740000.00 2580000.00 2480000.00 2310000.00 2450000.00 4170000.00 3800000.00 3620000.00 1660000.00 2350000.00 1180000.00 6850000.00 3920000.00 4940000.00 2120000.00 1920000.00 1590000.00 1410000.00 3660000.00 3010000.00 2120000.00 1840000.00 1820000.00 1410000.00 5890000.00 1520000.00 2430000.00 2090000.00 1870000.00 Pimelylcarnitine 15700000.00 42900000.00 21900000.00 34300000.00 41000000.00 14800000.00 23500000.00 50500000.00 12000000.00 8170000.00 19400000.00 50900000.00 42700000.00 25700000.00 21600000.00 37100000.00 42800000.00 24800000.00 9970000.00 23200000.00 37200000.00 19700000.00 35800000.00 8310000.00 38600000.00 10200000.00 34400000.00 21800000.00 15100000.00 13500000.00 14600000.00 18000000.00 15200000.00 6160000.00 40300000.00 6080000.00 38700000.00 23200000.00 Pipecolic acid 279000000.00 389000000.00 291000000.00 365000000.00 384000000.00 233000000.00 263000000.00 372000000.00 344000000.00 298000000.00 595000000.00 268000000.00 444000000.00 315000000.00 386000000.00 357000000.00 331000000.00 307000000.00 262000000.00 372000000.00 340000000.00 276000000.00 453000000.00 409000000.00 377000000.00 525000000.00 339000000.00 387000000.00 346000000.00 329000000.00 484000000.00 448000000.00 422000000.00 510000000.00 453000000.00 116000000.00 321000000.00 354000000.00 Propionylcarnitine 459000000.00 400000000.00 219000000.00 410000000.00 414000000.00 427000000.00 345000000.00 335000000.00 401000000.00 354000000.00 371000000.00 437000000.00 462000000.00 401000000.00 361000000.00 411000000.00 479000000.00 382000000.00 462000000.00 308000000.00 344000000.00 425000000.00 350000000.00 422000000.00 311000000.00 435000000.00 375000000.00 533000000.00 499000000.00 443000000.00 187000000.00 335000000.00 336000000.00 432000000.00 355000000.00 161000000.00 161000000.00 328000000.00 PS(34:1) 398000.00 46200.00 92800.00 75400.00 46900.00 57600.00 63700.00 395000.00 166000.00 33400.00 93800.00 73500.00 167000.00 83900.00 200000.00 104000.00 142000.00 72100.00 86400.00 63600.00 131000.00 116000.00 15000.00 92200.00 84800.00 79900.00 94900.00 158000.00 127000.00 182000.00 254000.00 61100.00 65900.00 139000.00 24500.00 30700.00 38100.00 90800.00 PS(34:2) 69100.00 23500.00 19900.00 11500.00 40800.00 34300.00 11100.00 68800.00 33700.00 19900.00 19000.00 20100.00 23600.00 37700.00 48600.00 21400.00 32500.00 17800.00 20300.00 17500.00 44600.00 42200.00 14800.00 38400.00 24000.00 147000.00 27300.00 46600.00 48900.00 41100.00 52400.00 17900.00 15200.00 32900.00 23700.00 11600.00 20300.00 22500.00 Purine 4310000.00 3170000.00 3520000.00 3430000.00 4740000.00 4030000.00 3140000.00 3400000.00 4870000.00 4380000.00 3050000.00 5660000.00 4330000.00 4840000.00 4160000.00 4370000.00 4590000.00 6350000.00 3950000.00 3180000.00 4320000.00 5130000.00 4960000.00 3670000.00 3800000.00 5050000.00 3320000.00 4840000.00 3920000.00 4910000.00 3230000.00 3640000.00 3600000.00 4680000.00 3260000.00 4830000.00 2920000.00 3120000.00 Riboflavin 165000.00 144000.00 552000.00 106000.00 163000.00 117000.00 268000.00 110000.00 367000.00 211000.00 1060000.00 85700.00 230000.00 327000.00 155000.00 484000.00 464000.00 239000.00 137000.00 385000.00 407000.00 330000.00 96100.00 1790000.00 208000.00 982000.00 3040000.00 372000.00 112000.00 3900000.00 113000.00 158000.00 290000.00 280000.00 68500.00 86700.00 149000.00 3170000.00 Saccharopine 1190000.00 1380000.00 1260000.00 1320000.00 1630000.00 1240000.00 1500000.00 1280000.00 1350000.00 1420000.00 1450000.00 1110000.00 1600000.00 1320000.00 1170000.00 1410000.00 1300000.00 1150000.00 1080000.00 913000.00 1680000.00 1650000.00 1430000.00 1810000.00 1520000.00 1440000.00 1600000.00 1330000.00 1330000.00 1080000.00 1390000.00 1600000.00 1300000.00 1340000.00 1040000.00 990000.00 1270000.00 1240000.00 Sarcosine 23600000.00 19900000.00 15200000.00 21900000.00 18300000.00 42500000.00 21700000.00 13200000.00 92400000.00 13900000.00 8430000.00 10800000.00 5960000.00 15000000.00 23800000.00 18600000.00 20400000.00 18400000.00 13800000.00 76500000.00 21400000.00 16400000.00 22000000.00 12800000.00 10700000.00 42500000.00 18500000.00 35600000.00 20800000.00 18000000.00 19300000.00 43400000.00 32400000.00 58200000.00 9310000.00 83100000.00 11900000.00 9820000.00 Serotonin 27300000.00 1620000.00 3260000.00 1560000.00 1150000.00 3120000.00 6130000.00 12900000.00 8190000.00 1360000.00 4530000.00 2150000.00 5680000.00 2820000.00 10100000.00 4810000.00 7640000.00 4070000.00 4590000.00 2550000.00 4160000.00 14600000.00 1430000.00 5070000.00 7390000.00 744000.00 5740000.00 6660000.00 7570000.00 5170000.00 12600000.00 4670000.00 6500000.00 1940000.00 2550000.00 814000.00 5630000.00 3840000.00 Spermine 617000.00 1050000.00 953000.00 798000.00 1490000.00 762000.00 705000.00 933000.00 867000.00 1340000.00 937000.00 1040000.00 1200000.00 1010000.00 881000.00 1300000.00 1360000.00 903000.00 1050000.00 946000.00 1130000.00 1040000.00 1420000.00 1180000.00 1370000.00 1140000.00 1190000.00 827000.00 1050000.00 756000.00 839000.00 889000.00 837000.00 776000.00 682000.00 1020000.00 946000.00 1300000.00 Suberylcarnitine 2200000.00 2950000.00 2820000.00 2330000.00 2490000.00 2070000.00 2160000.00 2960000.00 1930000.00 1930000.00 3430000.00 2310000.00 2500000.00 2050000.00 2070000.00 2420000.00 1800000.00 2360000.00 2190000.00 2160000.00 2430000.00 3040000.00 2150000.00 2430000.00 2830000.00 1950000.00 2220000.00 2000000.00 1930000.00 2170000.00 1830000.00 2710000.00 2880000.00 1730000.00 2020000.00 1990000.00 1960000.00 2480000.00 Testosterone 315000.00 482000.00 398000.00 806000.00 785000.00 379000.00 338000.00 482000.00 521000.00 191000.00 797000.00 474000.00 571000.00 182000.00 263000.00 543000.00 337000.00 323000.00 225000.00 1530000.00 274000.00 1540000.00 427000.00 547000.00 289000.00 337000.00 430000.00 539000.00 375000.00 300000.00 998000.00 170000.00 619000.00 720000.00 663000.00 525000.00 820000.00 1020000.00 THC 18:1/16:0 67700.00 77000.00 118000.00 104000.00 120000.00 187000.00 140000.00 347000.00 116000.00 200000.00 110000.00 146000.00 336000.00 156000.00 284000.00 106000.00 106000.00 92000.00 45800.00 149000.00 137000.00 87300.00 191000.00 83000.00 77500.00 100000.00 120000.00 162000.00 129000.00 104000.00 116000.00 69500.00 67300.00 207000.00 92700.00 133000.00 174000.00 108000.00 THC 18:1/22:0 17900.00 14500.00 14000.00 28300.00 22900.00 16600.00 20700.00 24700.00 12700.00 22400.00 35300.00 19600.00 24500.00 29600.00 34400.00 22200.00 15800.00 16200.00 12000.00 19400.00 13000.00 16000.00 10600.00 13700.00 10600.00 11400.00 3090.00 15300.00 19100.00 13300.00 20600.00 16400.00 40400.00 15100.00 15900.00 10200.00 10600.00 20100.00 THC 18:1/24:0 59200.00 53500.00 83000.00 110000.00 74000.00 109000.00 91900.00 104000.00 104000.00 93200.00 95700.00 114000.00 115000.00 77300.00 111000.00 68500.00 67100.00 42700.00 26600.00 64000.00 54400.00 59700.00 62200.00 57100.00 58700.00 56800.00 48200.00 62600.00 69600.00 57500.00 70800.00 57200.00 57700.00 59600.00 35900.00 41900.00 57000.00 57800.00 Thiamine 1050000.00 23800.00 2550000.00 454000.00 630000.00 730000.00 932000.00 437000.00 1770000.00 538000.00 2210000.00 481000.00 392000.00 1430000.00 621000.00 1170000.00 342000.00 1310000.00 455000.00 1340000.00 2000000.00 838000.00 429000.00 3780000.00 652000.00 4920000.00 3540000.00 138000000.00 293000.00 2970000.00 803000.00 639000.00 2990000.00 2820000.00 506000.00 506000.00 360000.00 2250000.00 Tiglylcarnitine 10300000.00 9050000.00 5030000.00 4500000.00 22500000.00 7710000.00 8340000.00 10700000.00 16500000.00 7730000.00 4940000.00 9280000.00 13900000.00 9740000.00 5890000.00 8410000.00 9940000.00 11300000.00 7230000.00 11100000.00 9280000.00 7720000.00 12900000.00 5390000.00 8410000.00 9440000.00 6520000.00 8600000.00 9530000.00 9880000.00 4180000.00 7770000.00 2950000.00 4280000.00 6080000.00 4930000.00 4960000.00 6910000.00 Trimethylamine-N-oxide 141000000.00 108000000.00 222000000.00 191000000.00 53400000.00 40000000.00 73200000.00 186000000.00 37000000.00 80700000.00 104000000.00 102000000.00 54400000.00 195000000.00 41600000.00 166000000.00 125000000.00 126000000.00 251000000.00 76300000.00 81400000.00 127000000.00 73000000.00 611000000.00 24700000.00 236000000.00 173000000.00 287000000.00 107000000.00 55500000.00 73800000.00 70300000.00 9580000.00 175000000.00 79100000.00 439000000.00 32300000.00 547000000.00 Urea 185000000.00 175000000.00 215000000.00 146000000.00 189000000.00 161000000.00 203000000.00 160000000.00 226000000.00 179000000.00 146000000.00 161000000.00 174000000.00 157000000.00 169000000.00 165000000.00 163000000.00 162000000.00 189000000.00 197000000.00 189000000.00 177000000.00 165000000.00 200000000.00 160000000.00 184000000.00 150000000.00 192000000.00 193000000.00 168000000.00 136000000.00 195000000.00 163000000.00 152000000.00 163000000.00 161000000.00 124000000.00 168000000.00 Ureidopropionic acid 3580000.00 3510000.00 4020000.00 4560000.00 5260000.00 3940000.00 2890000.00 2770000.00 3660000.00 5690000.00 3470000.00 3200000.00 3310000.00 4870000.00 2800000.00 5040000.00 5200000.00 4180000.00 3840000.00 2920000.00 4740000.00 4080000.00 4940000.00 4970000.00 4810000.00 6500000.00 3860000.00 6500000.00 3160000.00 3960000.00 3100000.00 6640000.00 3230000.00 5150000.00 2740000.00 5760000.00 3830000.00 3570000.00 Vitamin D3 5510000.00 6560000.00 5940000.00 8280000.00 7510000.00 6470000.00 3810000.00 6730000.00 8310000.00 8260000.00 8530000.00 10000000.00 10600000.00 7240000.00 8390000.00 7090000.00 7920000.00 7700000.00 6560000.00 7850000.00 6160000.00 8470000.00 5940000.00 7470000.00 5380000.00 6420000.00 8720000.00 8180000.00 9450000.00 7560000.00 8680000.00 7450000.00 8210000.00 8170000.00 8600000.00 8060000.00 7640000.00 8050000.00 Vitamin K2 13700000.00 12600000.00 18300000.00 11600000.00 12000000.00 13400000.00 8580000.00 9000000.00 13400000.00 14400000.00 18600000.00 14400000.00 16700000.00 11900000.00 15100000.00 16300000.00 14400000.00 13600000.00 12500000.00 17400000.00 14200000.00 15100000.00 13500000.00 14700000.00 14400000.00 18600000.00 13700000.00 13400000.00 17600000.00 13300000.00 15900000.00 15600000.00 11800000.00 15700000.00 14300000.00 11600000.00 16600000.00 12900000.00 Zymosterol 986000.00 1140000.00 1070000.00 1440000.00 1220000.00 1250000.00 826000.00 1090000.00 1390000.00 1510000.00 1200000.00 1840000.00 1840000.00 1220000.00 1360000.00 1310000.00 1380000.00 1170000.00 1230000.00 1300000.00 1060000.00 1490000.00 1140000.00 1350000.00 1190000.00 1150000.00 1600000.00 1480000.00 1540000.00 1280000.00 1350000.00 1300000.00 1350000.00 1400000.00 1350000.00 1320000.00 1230000.00 1250000.00 MS_METABOLITE_DATA_END #METABOLITES METABOLITES_START metabolite_name HMDB ID PubChem ID ChEBI ID KEGG ID METLIN ID 1,25-Dihydroxyvitamin D3 HMDB01903 5280453 17823 C01673 6382 1-Methyladenosine HMDB03331 27476 16020 C02494 6888 1-Methylhistidine HMDB00001 92105 50599 C01152 3741 1-Methylnicotinamide HMDB00699 457 16797 C02918 5667 1-Pyrroline-5-carboxylic acid HMDB01301 1196 1372 C04322 6145 24,25-Dihydrolanosterol HMDB06839 440560 28113 C05109 24,25-Epoxycholesterol 2-Arachidonylglycerol HMDB04666 5282280 52392 C13856 2-Octenoylcarnitine HMDB13324 53481667 3, 5-Tetradecadiencarnitine HMDB13331 53481681 3-Aminoisobutyric acid HMDB03911 64956 27389 C05145 5472 3-Hydroxy-cis-5-tetradecenoylcarnitine HMDB13330 53481679 3-Hydroxydodecanoylcarnitine 3-Hydroxyhexadecanoylcarnitine HMDB13336 53481691 3-Hydroxyhexadecenoylcarnitine HMDB13333 53481685 3-Hydroxyisovaleryl Carnitine 3-Hydroxylinoleylcarnitine 3-Hydroxyoleoylcarnitine 5,6-trans-25-Hydroxyvitamin D3 HMDB06721 53477885 5-Methylthioadenosine HMDB01173 439176 17509 C00170 3425 7-Dehydrocholesterol HMDB00032 439423 17759 C01164 5101 7-ketocholesterol HMDB00501 53477696 5487 7-methylguanine HMDB00897 11361 28664 C02242 9-Decenoylcarnitine HMDB13205 53481651 9-Hexadecenoylcarnitine HMDB13207 53481653 Adenine HMDB00034 190 16708 C00147 85 Adenosine HMDB00050 60961 16335 C00212 86 Adenosine monophosphate HMDB00045 6083 16027 C00020 5111 Adenosine triphosphate HMDB00538 5957 15422 C00002 5523 Adipoylcarnitine Alanine HMDB00161 5950 16977 C00041 Alpha-Tocopherol HMDB01893 14985 18145 C02477 6376 Arachidonyl carnitine HMDB06455 53477832 Aspartylglycosamine HMDB00489 123826 17261 C04540 5476 beta-Alanine HMDB00056 239 16958 C00099 5119 Betaine HMDB00043 247 17750 C00719 287 BMP(16:0/16:0) BMP(18:1/16:0) BMP(18:1/16:1) BMP(18:1/18:1) BMP(18:1/18:2) Butyrylcarnitine HMDB02013 439829 C02862 6436 Carnosine HMDB00033 439224 15727 C00386 38 Ceramide(d18:1/12:0) Ceramide(d18:1/16:0 OH) Ceramide(d18:1/16:0) Ceramide(d18:1/16:1 OH) Ceramide(d18:1/16:1) Ceramide(d18:1/16:2) Ceramide(d18:1/18:0 OH) Ceramide(d18:1/18:0) Ceramide(d18:1/18:1 OH) Ceramide(d18:1/18:1) Ceramide(d18:1/18:2) Ceramide(d18:1/20:0 OH) Ceramide(d18:1/20:0) Ceramide(d18:1/20:1 OH) Ceramide(d18:1/20:1) Ceramide(d18:1/20:2) Ceramide(d18:1/22:0 OH) Ceramide(d18:1/22:0) Ceramide(d18:1/22:1) Ceramide(d18:1/22:2 OH) Ceramide(d18:1/22:2) Ceramide(d18:1/23:0) or Ceramide(d18:1/22:1 OH) Ceramide(d18:1/24:0 OH) Ceramide(d18:1/24:0) Ceramide(d18:1/24:1) Ceramide(d18:1/24:2 OH) Ceramide(d18:1/24:2) Ceramide(d18:1/25:0) Ceramide(d18:1/26:0 OH) Ceramide(d18:1/26:0) Ceramide(d18:1/26:1) Ceramide(d18:1/26:2) Cholestenone HMDB00921 91477 16175 C00599 3898 Cholesterol HMDB00067 11025495 1307929 C00187 163 Choline HMDB00097 305 15354 C00114 56 Cortisol HMDB00063 657311 C00735 5124 Creatine HMDB00064 586 16919 C00300 7 Creatinine HMDB00562 588 16737 C00791 8 Cysteamine HMDB02991 6058 17141 C01678 3222 Cytidine HMDB00089 6175 17562 C00475 3376 Cytosine HMDB00630 597 16040 C00380 283 Decanoylcarnitine HMDB00651 10245190 5623 Desmosterol HMDB02719 439577 17737 C01802 423 DHC(18:1/16:0) DHC(18:1/20:0) DHC(18:1/22:0) DHC(18:1/24:1) Dimethylglycine HMDB00092 673 17724 C01026 277 Dimethyl-L-arginine HMDB01539 123831 17929 C03626 6309 DL-2-Aminooctanoic acid HMDB00991 69522 5923 Dodecanoylcarnitine HMDB02250 168381 6573 Dodecenoylcarnitine Dopamine HMDB00073 681 18243 C03758 64 Ethanolamine HMDB00149 700 16000 C00189 3207 FAD HMDB01248 643975 16238 C00016 6106 Gamma-Aminobutyric acid HMDB00112 119 16865 C00334 GC(18:1/16:0) Glycerophosphocholine HMDB00086 71920 16870 C00670 370 Glycine HMDB00123 750 15428 C00037 20 Glycylproline HMDB00721 79101 356660 5689 Hexanoylcarnitine HMDB00705 6426853 5673 Histamine HMDB00870 774 18295 C00388 68 Homoarginine HMDB00670 9085 27747 C01924 5640 Homocysteine HMDB00742 778 17230 C05330 3256 Hydroxyproline HMDB00725 5810 18095 C01157 257 Hypotaurine HMDB00965 107812 16668 C00519 281 Imidazoleacetic acid HMDB02024 96215 16974 C02835 6445 Isovalerylcarnitine HMDB00688 6426851 5657 L-Acetylcarnitine HMDB00201 1 C02571 5213 L-Asparagine HMDB00168 6267 17196 C00152 14 Lathosterol HMDB01170 65728 17168 C01189 6052 L-Carnitine HMDB00062 2724480 11060 C15025 52 L-Glutamic acid HMDB00148 33032 16015 C00025 5174 L-Glutamine HMDB00641 5961 18050 C00064 5614 L-Glutarylcarnitine L-Histidine HMDB00177 6274 15971 C00135 21 L-Homoserine HMDB00719 12647 15699 C00263 5687 Linoleylcarnitine L-isoleucine HMDB00172 6306 17191 C00407 5193 L-Kynurenine HMDB00684 161166 16946 C00328 72 L-leucine HMDB00687 6106 15603 C00123 24 L-Lysine HMDB00182 5962 18019 C00047 5200 L-Methionine HMDB00696 6137 16643 C00073 5664 L-Palmitoylcarnitine HMDB00222 11953816 17490 C02990 5231 L-Phenylalanine HMDB00159 6140 17295 C00079 28 L-Proline HMDB00162 145742 17203 C00148 29 L-Serine HMDB00187 5951 17115 C00065 5203 L-Tryptophan HMDB00929 6305 16828 C00078 5879 L-Tyrosine HMDB00158 6057 17895 C00082 34 L-Valine HMDB00883 6287 16414 C00183 5842 LysoPC(16:0) HMDB10382 460602 C04230 LysoPC(18:0) HMDB10384 497299 C04230 LysoPC(24:1) HMDB10406 53480477 C04230 Malonylcarnitine HMDB02095 22833583 6484 Methionine sulfoxide HMDB02005 847 49033 6428 Methylcysteine HMDB02108 24417 497729 6490 Myristoylcarnitine HMDB05066 53477791 N-Acetylornithine HMDB03357 439232 16543 C00437 N-alpha-Acetylarginine HMDB03263 67249 28510 C05904 3399 Niacinamide HMDB01406 936 17154 C00153 1497 Nicotinamide N-oxide HMDB02730 72661 1503 N-oleoylethanolamine HMDB02088 5283454 116103 O-acetylserine HMDB03011 99478 17981 C00979 3270 Octadecanoylcarnitine HMDB00848 6426855 5811 Octanoylcarnitine HMDB00791 11953814 18102 C02838 Oleoylcarnitine HMDB05065 53477789 Ornithine HMDB00214 6262 15729 C00077 27 Palmitoylethanolamide HMDB02100 4671 147261 C16512 PC(16:0/16:0) HMDB00564 452110 C00157 5548 PC(16:0/18:1) HMDB07972 5497103 C00157 PC(16:0/18:2) HMDB07973 5287971 C00157 PC(16:0/20:4) HMDB07982 10747814 C00157 PC(16:0/22:6) HMDB07991 6441886 C00157 PC(18:0/18:2) HMDB08039 6441487 C00157 PC(18:1/22:6) HMDB08090 24778901 C00157 PC(20:4/P-16:0) PC(20:5/P-16:0) PC(22:6/P-18:0) PC(24:0/P-18:0) HMDB08785 53479481 C00157 PC(30:0) HMDB07869 129657 C00157 PC(32:1) HMDB07969 6443788 C00157 PC(32:2) HMDB07874 24778624 C00157 PC(36:0) HMDB08036 94190 C00157 PC(36:1) HMDB08037 24778815 C00157 PC(38:5) HMDB07989 24778735 C00157 PC(40:6) HMDB08057 24778876 C00157 Phosphorylcholine HMDB01565 1014 18132 C00588 6326 Pimelylcarnitine HMDB13328 53481675 Pipecolic acid HMDB00070 849 17964 C00408 50 Propionylcarnitine HMDB00824 107738 28867 C03017 5787 PS(34:1) HMDB12357 5283499 34086 PS(34:2) HMDB12358 46891802 Purine HMDB01366 1044 17258 C15587 6193 Riboflavin HMDB00244 493570 17015 C00255 5249 Saccharopine HMDB00279 160556 16927 C00449 383 Sarcosine HMDB00271 1088 15611 C00213 51 Serotonin HMDB00259 5202 28790 C00780 74 Spermine HMDB01256 1103 15746 C00750 255 Suberylcarnitine Testosterone HMDB00234 6013 17347 C00535 390 THC 18:1/16:0 THC 18:1/22:0 THC 18:1/24:0 Thiamine HMDB00235 1130 18385 C00378 5242 Tiglylcarnitine HMDB02366 22833596 6648 Trimethylamine-N-oxide HMDB00925 1145 15724 C01104 5876 Urea HMDB00294 1176 16199 C00086 6 Ureidopropionic acid HMDB00026 111 18261 C02642 5097 Vitamin D3 HMDB00876 10883523 283119 C05443 222 Vitamin K2 HMDB30017 5283547 C00828 Zymosterol HMDB06271 92746 18252 C05437 METABOLITES_END #END