#METABOLOMICS WORKBENCH LautenbergLab_20170214_055519_mwtab.txt DATATRACK_ID:843 STUDY_ID:ST000553 ANALYSIS_ID:AN000845 PROJECT_ID:PR000405 VERSION 1 CREATED_ON February 15, 2017, 9:40 am #PROJECT PR:PROJECT_TITLE UT Pool Characterization PR:PROJECT_TYPE Reference Material Characterization PR:PROJECT_SUMMARY Human Urine and Plasma (pool) PR:INSTITUTE Mount Sinai PR:DEPARTMENT Environmental Medicine and Public Health PR:LABORATORY Lautenberg Environmental Health Sciences Laboratory, Mount Sinai PR:LAST_NAME Andra PR:FIRST_NAME Syam PR:ADDRESS 1428 Madison Avenue, Atran Bldg., Floor 3, Room 002 PR:EMAIL syam.andra@mssm.edu PR:PHONE 212-241-7369 PR:FUNDING_SOURCE NIEHS PR:PROJECT_COMMENTS CHEAR_UT Pool Characterization #STUDY ST:STUDY_TITLE CHEAR UT Urine and Plasma Pool Characterization ST:STUDY_SUMMARY Analyze CHEAR UT urine and plasma pool in six replicates ST:INSTITUTE Mount Sinai ST:LAST_NAME Andra ST:FIRST_NAME Syam ST:ADDRESS Mount Sinai ST:EMAIL syam.andra@mssm.edu ST:PHONE 212-241-7369 #SUBJECT SU:SUBJECT_TYPE Human SU:SUBJECT_SPECIES Homo sapiens SU:TAXONOMY_ID 9606 #SUBJECT_SAMPLE_FACTORS: SUBJECT(optional)[tab]SAMPLE[tab]FACTORS(NAME:VALUE pairs separated by |)[tab]Additional sample data SUBJECT_SAMPLE_FACTORS - Urine_UT_Rep1 Sample type:Urine SUBJECT_SAMPLE_FACTORS - Urine_UT_Rep2 Sample type:Urine SUBJECT_SAMPLE_FACTORS - Urine_UT_Rep3 Sample type:Urine SUBJECT_SAMPLE_FACTORS - Urine_UT_Rep4 Sample type:Urine SUBJECT_SAMPLE_FACTORS - Urine_UT_Rep5 Sample type:Urine SUBJECT_SAMPLE_FACTORS - Urine_UT_Rep6 Sample type:Urine SUBJECT_SAMPLE_FACTORS - Plasma_UT_Rep1 Sample type:Plasma SUBJECT_SAMPLE_FACTORS - Plasma_UT_Rep2 Sample type:Plasma SUBJECT_SAMPLE_FACTORS - Plasma_UT_Rep3 Sample type:Plasma SUBJECT_SAMPLE_FACTORS - Plasma_UT_Rep4 Sample type:Plasma SUBJECT_SAMPLE_FACTORS - Plasma_UT_Rep5 Sample type:Plasma SUBJECT_SAMPLE_FACTORS - Plasma_UT_Rep6 Sample type:Plasma #COLLECTION CO:COLLECTION_SUMMARY UT urine and plasma reference pools were supplied by the CHEAR Emory Lab Hub #TREATMENT TR:TREATMENT_SUMMARY Not available #SAMPLEPREP SP:SAMPLEPREP_SUMMARY Sample preparation Plasma: Plasma samples were stored at -80°C until the day of SP:SAMPLEPREP_SUMMARY the analysis. Metabolite extraction was performed by adding 300μL of cold LC-MS SP:SAMPLEPREP_SUMMARY grade methanol (containing ISTDs) to 100μL of plasma. Samples were centrifuged SP:SAMPLEPREP_SUMMARY to pellet the precipitate (13,000g, 15 min, 4°C). An aliquot of 60μL of the SP:SAMPLEPREP_SUMMARY supernatants was transferred to 2 separate LC vials for Reversed-phase SP:SAMPLEPREP_SUMMARY chromatography and positive and negative ESI mode detection. Extracts were SP:SAMPLEPREP_SUMMARY evaporated to dryness using a speed vac system. The extracts were reconstituted SP:SAMPLEPREP_SUMMARY using 50μL of methanol on the day of analysis. In case of the HILIC analysis SP:SAMPLEPREP_SUMMARY (positive and negative ESI detection), the extracts were reconstituted using SP:SAMPLEPREP_SUMMARY 50μL acetonitrile: water in 8:2 ratio. Urine: Urine samples were stored at SP:SAMPLEPREP_SUMMARY -80°C until the day of the analysis. Metabolite extraction was performed by SP:SAMPLEPREP_SUMMARY adding 180μL of Acetonitrile (containing ISTDs) to 20μL of urine. Samples were SP:SAMPLEPREP_SUMMARY centrifuged to pellet the precipitate (13,000g, 15 min, 4°C). An aliquot of SP:SAMPLEPREP_SUMMARY 40μL of the supernatants was transferred to 4 separate LC vials (RP and HILIC SP:SAMPLEPREP_SUMMARY mode, positive and negative ESI analysis). #CHROMATOGRAPHY CH:CHROMATOGRAPHY_SUMMARY Metabolites were separated using a C18 column, Zorbax Eclipse Plus C18 (2.1 x CH:CHROMATOGRAPHY_SUMMARY 100 mm, 1.8μm particle size), mobile phase A: water and mobile phase B: CH:CHROMATOGRAPHY_SUMMARY IPA/ACN(90:10) both with 0.1% HCOOH at a flow rate of 400μL/min injecting 2μL CH:CHROMATOGRAPHY_SUMMARY of extracts on a 1290 Infinity II LC System (Agilent Technologies). CH:CHROMATOGRAPHY_TYPE Reversed phase CH:INSTRUMENT_NAME Agilent 1290 Infinity II CH:COLUMN_NAME Agilent Zorbax Eclipse Plus C18 (100 x 2.1mm, 1.8 um) #ANALYSIS AN:ANALYSIS_TYPE MS #MS MS:INSTRUMENT_NAME Agilent 6550 QTOF MS:INSTRUMENT_TYPE QTOF MS:MS_TYPE ESI MS:ION_MODE POSITIVE #MS_METABOLITE_DATA MS_METABOLITE_DATA:UNITS Peak Area MS_METABOLITE_DATA_START Samples Urine_UT_Rep1 Urine_UT_Rep2 Urine_UT_Rep3 Urine_UT_Rep4 Urine_UT_Rep5 Urine_UT_Rep6 Plasma_UT_Rep1 Plasma_UT_Rep2 Plasma_UT_Rep3 Plasma_UT_Rep4 Plasma_UT_Rep5 Plasma_UT_Rep6 Factors Sample type:Urine Sample type:Urine Sample type:Urine Sample type:Urine Sample type:Urine Sample type:Urine Sample type:Plasma Sample type:Plasma Sample type:Plasma Sample type:Plasma Sample type:Plasma Sample type:Plasma 102.0132_0.3 273000.00 278000.00 268000.00 279000.00 278000.00 258000.00 Spermidine 5470.00 5760.00 3930.00 4520.00 4500.00 3720.00 4200.00 4380.00 2800.00 3330.00 3980.00 2190.00 110.0088_0.54 297000.00 300000.00 305000.00 295000.00 315000.00 313000.00 110.0089_0.54 1540000.00 1510000.00 1530000.00 1520000.00 1500000.00 1460000.00 84.9598_0.54 2130000.00 2710000.00 2100000.00 2720000.00 2020000.00 2000000.00 125.9865_0.54 1360000.00 1260000.00 1330000.00 1280000.00 1270000.00 1260000.00 170.0931_0.55 494000.00 524000.00 498000.00 476000.00 473000.00 464000.00 156.0772_0.55 126000.00 125000.00 122000.00 120000.00 124000.00 114000.00 159.0683_0.55 75700.00 76400.00 65100.00 77900.00 76700.00 70800.00 175.1193_0.55 441000.00 450000.00 446000.00 449000.00 436000.00 442000.00 189.1603_0.56 242000.00 239000.00 248000.00 240000.00 236000.00 231000.00 159.0686_0.56 380000.00 679000.00 410000.00 366000.00 613000.00 626000.00 381.0258_0.57 358000.00 398000.00 403000.00 403000.00 423000.00 413000.00 104.1074_0.58 286000.00 279000.00 262000.00 266000.00 257000.00 266000.00 203.1492_0.58 117000.00 115000.00 108000.00 117000.00 112000.00 116000.00 136.0488_0.59 1230000.00 1280000.00 1240000.00 1230000.00 1220000.00 1210000.00 152.0228_0.59 736000.00 716000.00 737000.00 729000.00 716000.00 712000.00 139.0645_0.59 149000.00 147000.00 137000.00 153000.00 148000.00 146000.00 155.0417_0.59 73000.00 76400.00 65100.00 77200.00 77000.00 74100.00 104.1072_0.59 924000.00 1080000.00 716000.00 732000.00 754000.00 735000.00 280.0927_0.59 928000.00 1050000.00 1040000.00 1120000.00 1220000.00 1110000.00 296.0665_0.59 540000.00 597000.00 610000.00 658000.00 675000.00 667000.00 221.0213_0.59 130000.00 128000.00 127000.00 136000.00 72600.00 75200.00 117.0854_0.6 876000.00 863000.00 846000.00 939000.00 905000.00 888000.00 115.0696_0.6 391000.00 422000.00 344000.00 387000.00 377000.00 396000.00 80.9478_0.6 354000.00 357000.00 358000.00 167000.00 362000.00 362000.00 96.9219_0.6 181000.00 180000.00 185000.00 184000.00 186000.00 191000.00 140.0687_0.6 1000000.00 991000.00 968000.00 976000.00 983000.00 971000.00 112.8957_0.6 205000.00 202000.00 205000.00 200000.00 212000.00 210000.00 338.0537_0.61 8990.00 7140.00 10200.00 9570.00 6730.00 6950.00 191.0407_0.61 108000.00 109000.00 108000.00 110000.00 105000.00 106000.00 403.008_0.61 92700.00 111000.00 114000.00 119000.00 122000.00 107000.00 162.1129_0.62 7780000.00 8200000.00 8250000.00 8150000.00 8150000.00 8030000.00 114.0665_0.62 1180000.00 1180000.00 1200000.00 1180000.00 1180000.00 1160000.00 196.8663_0.62 72600.00 76400.00 76700.00 69700.00 73700.00 76400.00 198.8626_0.62 66100.00 69300.00 70700.00 68100.00 69600.00 67600.00 372.7388_0.62 20800.00 20700.00 22100.00 17900.00 22700.00 22200.00 432.6943_0.62 13600.00 14900.00 17100.00 16100.00 15700.00 16200.00 374.7361_0.62 15400.00 15100.00 16700.00 16300.00 16400.00 17600.00 160.1335_0.62 83600.00 80800.00 82100.00 90200.00 84700.00 81100.00 359.044_0.62 916000.00 1000000.00 1020000.00 997000.00 1030000.00 1020000.00 219.0272_0.62 703000.00 705000.00 701000.00 705000.00 696000.00 705000.00 365.1051_0.63 38500.00 40000.00 45500.00 37700.00 36900.00 37000.00 203.0532_0.63 4770000.00 4960000.00 4940000.00 4770000.00 5000000.00 4900000.00 118.0866_0.63 1750000.00 1860000.00 1900000.00 1830000.00 1880000.00 1770000.00 144.1023_0.63 658000.00 1050000.00 670000.00 669000.00 723000.00 708000.00 132.0769_0.63 554000.00 286000.00 254000.00 552000.00 275000.00 551000.00 156.0426_0.63 500000.00 469000.00 476000.00 464000.00 468000.00 459000.00 383.1161_0.63 200000.00 207000.00 201000.00 195000.00 201000.00 197000.00 338.0593_0.63 194000.00 195000.00 197000.00 196000.00 197000.00 204000.00 438.9844_0.63 196000.00 217000.00 218000.00 219000.00 221000.00 226000.00 383.1145_0.64 8750.00 8710.00 9110.00 8370.00 8910.00 9480.00 293.0986_0.64 555000.00 607000.00 572000.00 629000.00 535000.00 550000.00 316.0843_0.64 143000.00 146000.00 158000.00 153000.00 143000.00 144000.00 315.0806_0.64 1090000.00 1210000.00 1250000.00 1200000.00 1160000.00 1280000.00 136.0484_0.6484 395000.00 373000.00 366000.00 372000.00 373000.00 381000.00 258.1107_0.65 507000.00 583000.00 606000.00 625000.00 651000.00 649000.00 139.0672_0.65 936000.00 908000.00 863000.00 854000.00 857000.00 861000.00 73.0779_0.65 549000.00 272000.00 547000.00 517000.00 297000.00 247000.00 155.0413_0.65 260000.00 263000.00 254000.00 242000.00 240000.00 245000.00 136.0484_0.6523 398000.00 379000.00 374000.00 375000.00 376000.00 384000.00 163.0477_0.66 171000.00 173000.00 173000.00 166000.00 167000.00 167000.00 417.0026_0.66 175000.00 196000.00 202000.00 202000.00 208000.00 209000.00 229.1552_0.67 262000.00 260000.00 262000.00 261000.00 265000.00 224000.00 353.0351_0.67 345000.00 371000.00 375000.00 366000.00 370000.00 376000.00 454.9575_0.68 91900.00 96500.00 98700.00 94500.00 96000.00 95200.00 338.9208_0.68 103000.00 103000.00 104000.00 108000.00 102000.00 103000.00 366.0583_0.69 93000.00 88400.00 91800.00 91300.00 88200.00 85800.00 446.1772_0.69 16200.00 15200.00 14200.00 14800.00 13600.00 15600.00 166.0845_0.69 196000.00 188000.00 187000.00 185000.00 185000.00 190000.00 206.8944_0.69 45900.00 44800.00 47700.00 47200.00 45300.00 48300.00 375.0176_0.69 314000.00 332000.00 346000.00 335000.00 334000.00 334000.00 258.9805_0.69 296000.00 285000.00 283000.00 296000.00 293000.00 286000.00 252.9726_0.69 173000.00 164000.00 165000.00 171000.00 176000.00 166000.00 426.2106_0.7 10800.00 11500.00 10100.00 10800.00 11000.00 9080.00 216.9232_0.7 67200.00 66400.00 65400.00 63000.00 65800.00 66700.00 215.0167_0.7 737000.00 712000.00 705000.00 750000.00 722000.00 659000.00 236.9985_0.7 823000.00 804000.00 774000.00 832000.00 812000.00 759000.00 331.0528_0.7 303000.00 313000.00 326000.00 312000.00 320000.00 312000.00 164.9293_0.7 192000.00 182000.00 185000.00 189000.00 192000.00 185000.00 316.9388_0.7 142000.00 138000.00 137000.00 139000.00 135000.00 135000.00 441.1614_0.71 23100.00 23600.00 20500.00 23200.00 21100.00 19700.00 274.9544_0.71 113000.00 107000.00 101000.00 114000.00 113000.00 103000.00 393.2099_0.73 25000.00 22600.00 21600.00 22100.00 23100.00 22300.00 184.0946_0.73 24200.00 22000.00 22600.00 25800.00 23200.00 25200.00 377.1421_0.74 12500.00 11900.00 12200.00 13100.00 14200.00 13600.00 407.1887_0.74 10500.00 9120.00 8870.00 9700.00 11100.00 9450.00 337.0623_0.74 1420000.00 1510000.00 1540000.00 1530000.00 1530000.00 1520000.00 337.0622_0.74 1430000.00 1530000.00 1540000.00 1550000.00 1550000.00 1540000.00 319.1306_0.75 80400.00 77000.00 79700.00 72800.00 73300.00 74700.00 202.1197_0.76 18100.00 16600.00 16600.00 15600.00 16900.00 16300.00 135.0031_0.76 527000.00 531000.00 522000.00 522000.00 525000.00 521000.00 169.0371_0.77 151000.00 142000.00 141000.00 137000.00 145000.00 132000.00 192.0982_0.78 389000.00 288000.00 339000.00 387000.00 406000.00 376000.00 210.1296_0.78 325000.00 293000.00 292000.00 324000.00 337000.00 300000.00 172.1341_0.78 160000.00 145000.00 150000.00 159000.00 169000.00 152000.00 160.9652_0.78 252000.00 256000.00 262000.00 255000.00 270000.00 290000.00 193.1021_0.78 224000.00 225000.00 216000.00 220000.00 235000.00 224000.00 236.0727_0.84 163000.00 168000.00 167000.00 160000.00 159000.00 162000.00 315.0798_0.84 3350000.00 3610000.00 3620000.00 3590000.00 2410000.00 2260000.00 216.0198_0.84 56500.00 54600.00 56400.00 61200.00 59900.00 55700.00 147.0765_0.85 68200.00 68300.00 67200.00 65200.00 63500.00 59900.00 214.0908_0.86 140000.00 141000.00 142000.00 137000.00 92200.00 130000.00 258.1106_0.86 695000.00 828000.00 871000.00 908000.00 929000.00 808000.00 160.0615_0.86 95700.00 108000.00 103000.00 108000.00 105000.00 98000.00 130.0503_0.86 177000.00 183000.00 172000.00 187000.00 184000.00 135000.00 192.109_0.87 1430000.00 1390000.00 1370000.00 1390000.00 1350000.00 1260000.00 145.1006_0.87 555000.00 525000.00 510000.00 538000.00 508000.00 466000.00 174.0852_0.87 358000.00 338000.00 347000.00 342000.00 351000.00 321000.00 182.0813_0.87 300000.00 281000.00 288000.00 300000.00 287000.00 274000.00 130.067_0.87 215000.00 211000.00 168000.00 171000.00 170000.00 152000.00 156.0761_0.87 225000.00 230000.00 225000.00 230000.00 217000.00 212000.00 127.0765_0.87 95800.00 88600.00 87200.00 88700.00 86900.00 81300.00 136.0757_0.87 88800.00 79500.00 82300.00 89000.00 85200.00 77800.00 215.0166_0.87 979000.00 912000.00 896000.00 976000.00 931000.00 892000.00 189.0876_0.87 58200.00 59000.00 59800.00 58400.00 60700.00 57300.00 235.0923_0.88 77300.00 80800.00 76200.00 78300.00 79700.00 77000.00 174.1242_0.92 121000.00 120000.00 121000.00 103000.00 107000.00 111000.00 131.93_0.92 61400.00 62800.00 58600.00 64100.00 58300.00 60900.00 346.0091_0.92 297000.00 296000.00 283000.00 293000.00 296000.00 295000.00 182.986_0.93 111000.00 114000.00 116000.00 121000.00 113000.00 131000.00 170.0925_0.94 70800.00 70400.00 67800.00 66300.00 65200.00 61900.00 231.084_0.94 35000.00 38500.00 40500.00 35000.00 41900.00 43500.00 132.102_0.95 4710000.00 4660000.00 4660000.00 4870000.00 4900000.00 4700000.00 86.0966_0.95 1950000.00 1900000.00 1910000.00 2020000.00 2030000.00 1960000.00 158.0037_0.96 143000.00 110000.00 138000.00 137000.00 115000.00 138000.00 113.9644_0.96 430000.00 449000.00 451000.00 419000.00 415000.00 469000.00 199.9987_0.99 115000.00 65300.00 84700.00 110000.00 110000.00 133000.00 167.0577_1.01 736000.00 726000.00 705000.00 695000.00 677000.00 683000.00 129.0557_1.01 70100.00 67900.00 69400.00 63400.00 64000.00 61300.00 176.1148_1.02 761000.00 770000.00 728000.00 769000.00 749000.00 733000.00 129.1054_1.02 724000.00 709000.00 679000.00 677000.00 679000.00 710000.00 166.0875_1.02 611000.00 625000.00 550000.00 560000.00 545000.00 559000.00 120.0816_1.02 632000.00 634000.00 600000.00 581000.00 577000.00 575000.00 181.0737_1.02 240000.00 227000.00 247000.00 248000.00 230000.00 251000.00 182.0805_1.02 205000.00 199000.00 204000.00 199000.00 195000.00 178000.00 426.2131_1.03 73500.00 73200.00 69100.00 74700.00 69000.00 67600.00 294.1547_1.03 146000.00 140000.00 148000.00 133000.00 129000.00 93000.00 399.234_1.03 129000.00 131000.00 134000.00 128000.00 130000.00 130000.00 195.0379_1.04 1690000.00 1660000.00 1660000.00 1640000.00 1630000.00 1620000.00 276.1813_1.05 62200.00 62200.00 56900.00 53000.00 53500.00 55300.00 293.098_1.05 3190000.00 4700000.00 4860000.00 4680000.00 4530000.00 4620000.00 185.1301_1.06 902000.00 905000.00 878000.00 845000.00 834000.00 795000.00 170.0467_1.06 602000.00 586000.00 557000.00 560000.00 534000.00 510000.00 207.1122_1.06 426000.00 425000.00 414000.00 409000.00 395000.00 407000.00 126.0924_1.06 223000.00 218000.00 212000.00 190000.00 184000.00 186000.00 192.0283_1.06 167000.00 167000.00 155000.00 160000.00 154000.00 151000.00 152.0356_1.06 108000.00 97800.00 98600.00 103000.00 96300.00 91100.00 124.0406_1.06 77500.00 80400.00 81700.00 80500.00 77300.00 74300.00 113.0243_1.06 80100.00 62300.00 70900.00 58700.00 64100.00 54900.00 221.0022_1.06 52100.00 54100.00 53800.00 54300.00 55900.00 59900.00 269.971_1.06 44400.00 46300.00 43400.00 44600.00 45800.00 50700.00 284.1868_1.07 277000.00 285000.00 277000.00 262000.00 252000.00 261000.00 220.1194_1.07 153000.00 155000.00 146000.00 144000.00 134000.00 133000.00 275.1121_1.07 112000.00 126000.00 117000.00 118000.00 114000.00 117000.00 289.0905_1.07 33500.00 30400.00 29600.00 26700.00 28200.00 28500.00 253.1281_1.07 29400.00 31200.00 28500.00 29000.00 23700.00 26800.00 291.0849_1.07 21500.00 21600.00 19800.00 22000.00 20900.00 20700.00 239.15_1.08 17600.00 17500.00 15900.00 21800.00 22700.00 24000.00 158.0282_1.09 288000.00 281000.00 279000.00 275000.00 265000.00 275000.00 218.0444_1.11 66100.00 64600.00 63700.00 64000.00 62200.00 58200.00 121.0299_1.12 772000.00 790000.00 777000.00 751000.00 759000.00 729000.00 196.0619_1.12 178000.00 161000.00 159000.00 161000.00 155000.00 153000.00 195.0769_1.14 225000.00 208000.00 209000.00 203000.00 210000.00 196000.00 120.0455_1.14 387000.00 381000.00 344000.00 349000.00 351000.00 353000.00 134.0954_1.16 52800.00 52400.00 55600.00 53900.00 53300.00 53800.00 205.0828_1.17 721000.00 755000.00 721000.00 664000.00 684000.00 688000.00 152.0721_1.17 648000.00 638000.00 618000.00 583000.00 602000.00 577000.00 153.0742_1.17 61700.00 64400.00 57100.00 62800.00 58300.00 57700.00 110.0619_1.17 46700.00 47200.00 41600.00 42700.00 43700.00 41000.00 171.0648_1.18 332000.00 326000.00 185000.00 299000.00 186000.00 293000.00 152.0711_1.18 160000.00 163000.00 161000.00 169000.00 160000.00 154000.00 166.1243_1.2 542000.00 541000.00 529000.00 500000.00 486000.00 488000.00 298.0979_1.2 50800.00 50600.00 49600.00 50700.00 54300.00 53900.00 115.0561_1.2 11100.00 11000.00 15500.00 7980.00 11000.00 11300.00 268.1562_1.21 1800000.00 1820000.00 1800000.00 1610000.00 1650000.00 1650000.00 244.1558_1.21 242000.00 250000.00 243000.00 235000.00 226000.00 230000.00 117.0699_1.22 37200.00 39700.00 33300.00 32400.00 34900.00 31700.00 148.1112_1.23 1820000.00 1820000.00 1800000.00 1720000.00 1710000.00 1690000.00 148.1113_1.23 1800000.00 1800000.00 1770000.00 1700000.00 1690000.00 1680000.00 248.1659_1.23 41300.00 47500.00 41700.00 42200.00 37900.00 38500.00 434.2177_1.24 28000.00 26300.00 25500.00 26600.00 24500.00 26200.00 412.1974_1.25 19800.00 18200.00 17700.00 19600.00 17800.00 16900.00 132.0457_1.26 152000.00 150000.00 140000.00 129000.00 134000.00 134000.00 372.1812_1.27 85200.00 96000.00 172000.00 140000.00 144000.00 92400.00 174.1127_1.28 80600.00 74900.00 72900.00 83700.00 77500.00 78500.00 197.0684_1.29 341000.00 350000.00 341000.00 315000.00 322000.00 314000.00 181.0738_1.3 564000.00 573000.00 528000.00 518000.00 537000.00 1190000.00 182.0967_1.3 988.00 181.0728_1.3 236000.00 221000.00 218000.00 222000.00 224000.00 230000.00 157.0849_1.31 362000.00 339000.00 368000.00 365000.00 364000.00 348000.00 157.0839_1.31 208000.00 207000.00 206000.00 216000.00 212000.00 217000.00 149.1141_1.32 523000.00 525000.00 478000.00 458000.00 384000.00 493000.00 151.0403_1.33 280000.00 288000.00 291000.00 261000.00 248000.00 265000.00 192.0975_1.35 11500000.00 11500000.00 11500000.00 11300000.00 11300000.00 11100000.00 210.1302_1.35 11400000.00 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103000.00 101000.00 96500.00 93000.00 266.1387_1.66 135000.00 123000.00 115000.00 112000.00 114000.00 103000.00 150.1277_1.68 30400.00 29900.00 28600.00 27500.00 28400.00 27300.00 250.1806_1.69 139000.00 158000.00 149000.00 143000.00 132000.00 134000.00 192.0661_1.75 80600.00 74600.00 75100.00 71300.00 69500.00 69600.00 146.0603_1.76 69200.00 67800.00 65800.00 61700.00 59400.00 61100.00 338.1483_1.79 40800.00 43600.00 40500.00 37800.00 38000.00 38200.00 377.1418_1.82 95100.00 97900.00 91800.00 90900.00 91200.00 93800.00 372.1863_1.82 54800.00 56800.00 53900.00 51900.00 55700.00 51500.00 393.1145_1.82 24700.00 23200.00 23300.00 22100.00 23300.00 24200.00 355.1599_1.82 9660.00 10200.00 9960.00 9250.00 9220.00 10700.00 183.0794_1.82 6020.00 6470.00 6530.00 10300.00 10600.00 8470.00 363.1627_1.83 122000.00 115000.00 119000.00 108000.00 106000.00 110000.00 318.1912_1.83 99200.00 104000.00 98800.00 95100.00 90100.00 89800.00 327.2013_1.83 102000.00 102000.00 55000.00 99600.00 96800.00 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247000.00 498.096_2.26 1120000.00 1160000.00 1140000.00 1080000.00 1070000.00 1200000.00 468.1349_2.26 514000.00 510000.00 496000.00 472000.00 479000.00 447000.00 287.1007_2.27 9340000.00 9170000.00 9000000.00 8610000.00 8670000.00 8020000.00 303.0745_2.27 1220000.00 1210000.00 1190000.00 1120000.00 1130000.00 1040000.00 241.5662_2.27 131000.00 115000.00 117000.00 115000.00 106000.00 108000.00 265.1189_2.28 14700000.00 14400000.00 14100000.00 13500000.00 13400000.00 13000000.00 551.2115_2.28 2080000.00 2040000.00 1960000.00 1840000.00 1850000.00 1620000.00 130.0503_2.28 1610000.00 1610000.00 1600000.00 1520000.00 1520000.00 1450000.00 583.1482_2.28 504000.00 512000.00 499000.00 470000.00 471000.00 510000.00 248.0926_2.28 422000.00 420000.00 412000.00 398000.00 398000.00 396000.00 553.1975_2.28 216000.00 206000.00 204000.00 193000.00 189000.00 170000.00 136.076_2.28 183000.00 177000.00 170000.00 172000.00 172000.00 164000.00 309.0831_2.28 159000.00 150000.00 139000.00 131000.00 149000.00 123000.00 275.0472_2.29 359000.00 376000.00 376000.00 372000.00 371000.00 433000.00 567.1766_2.29 198000.00 197000.00 191000.00 186000.00 185000.00 175000.00 360.0647_2.29 274000.00 285000.00 279000.00 268000.00 275000.00 305000.00 307.087_2.29 270000.00 262000.00 262000.00 249000.00 258000.00 252000.00 284.0921_2.29 179000.00 169000.00 166000.00 165000.00 166000.00 155000.00 378.0893_2.29 233000.00 225000.00 225000.00 211000.00 210000.00 205000.00 152.037_2.29 143000.00 133000.00 126000.00 138000.00 134000.00 130000.00 160.0231_2.3 96100.00 96100.00 101000.00 105000.00 107000.00 116000.00 421.168_2.49 68000.00 64300.00 64700.00 65100.00 63200.00 64600.00 416.2122_2.49 56000.00 50500.00 52900.00 49600.00 49300.00 50700.00 399.186_2.49 8640.00 7670.00 7640.00 7660.00 8630.00 8710.00 407.1888_2.5 89600.00 96400.00 81300.00 82100.00 76100.00 157000.00 402.2334_2.5 75400.00 72300.00 143000.00 133000.00 60800.00 131000.00 385.2067_2.5 58400.00 56000.00 53800.00 53700.00 54400.00 52300.00 423.1622_2.5 42200.00 43800.00 43400.00 41100.00 39500.00 40100.00 437.141_2.5 16400.00 18200.00 16500.00 16100.00 17900.00 17000.00 393.2096_2.51 133000.00 131000.00 127000.00 113000.00 108000.00 115000.00 388.2543_2.51 107000.00 115000.00 125000.00 105000.00 89600.00 110000.00 334.6909_2.51 296000.00 309000.00 299000.00 307000.00 294000.00 297000.00 371.2276_2.52 122000.00 122000.00 126000.00 114000.00 116000.00 115000.00 149.0241_2.54 435000.00 448000.00 458000.00 452000.00 454000.00 453000.00 243.1343_2.56 113000.00 115000.00 109000.00 108000.00 101000.00 96200.00 226.0169_2.56 84600.00 81100.00 76000.00 84400.00 81000.00 81300.00 171.0997_2.57 19100.00 30000.00 31900.00 36600.00 38100.00 38700.00 171.0999_2.57 29200.00 26800.00 35300.00 31900.00 37900.00 41800.00 302.1964_2.62 94900.00 89400.00 89600.00 85200.00 82600.00 81500.00 371.6805_2.63 68000.00 65700.00 58900.00 67600.00 68000.00 70800.00 319.1661_2.79 251000.00 244000.00 239000.00 222000.00 226000.00 214000.00 304.1305_2.87 109000.00 97900.00 96700.00 88100.00 90400.00 87100.00 220.1353_2.99 1600.00 835.00 1290.00 1400.00 1600.00 868.00 177.0548_3.09 192000.00 166000.00 176000.00 139000.00 134000.00 144000.00 243.1343_3.13 306000.00 279000.00 288000.00 265000.00 260000.00 241000.00 135.0443_3.15 73100.00 94400.00 90700.00 87300.00 84400.00 81000.00 168.1024_3.2 172000.00 166000.00 158000.00 148000.00 150000.00 143000.00 324.9938_3.21 122000.00 111000.00 127000.00 119000.00 111000.00 137000.00 290.1388_3.21 250000.00 250000.00 241000.00 244000.00 230000.00 227000.00 283.9676_3.22 216000.00 224000.00 224000.00 201000.00 202000.00 245000.00 158.0034_3.23 2330000.00 2340000.00 2300000.00 2310000.00 2340000.00 2280000.00 290.1389_3.26 14000000.00 13600000.00 13400000.00 12800000.00 12700000.00 12400000.00 Leucyl-leucine 177000.00 166000.00 168000.00 182000.00 172000.00 173000.00 158.0034_3.41 2160000.00 2170000.00 2180000.00 2150000.00 2170000.00 2120000.00 245.1864_3.49 127000.00 122000.00 120000.00 132000.00 132000.00 125000.00 331.0925_3.52 189000.00 178000.00 174000.00 157000.00 153000.00 143000.00 465.1939_3.52 44100.00 40400.00 40200.00 37600.00 37500.00 38500.00 460.2384_3.52 35400.00 32900.00 31600.00 32100.00 33700.00 34100.00 451.2149_3.53 131000.00 127000.00 126000.00 122000.00 123000.00 123000.00 467.189_3.53 28500.00 26500.00 26700.00 25100.00 25900.00 24700.00 481.1666_3.53 5630.00 6120.00 5950.00 5050.00 6730.00 5430.00 415.2538_3.54 118000.00 118000.00 113000.00 111000.00 114000.00 110000.00 446.2593_3.54 123000.00 120000.00 119000.00 117000.00 119000.00 115000.00 429.2333_3.54 57900.00 56800.00 51700.00 52000.00 52500.00 48800.00 437.2357_3.55 68300.00 182000.00 183000.00 170000.00 171000.00 164000.00 432.2803_3.55 86300.00 190000.00 190000.00 181000.00 186000.00 180000.00 Riboflavin 78700.00 60600.00 65700.00 57700.00 62600.00 59600.00 158.0034_3.7 2250000.00 2260000.00 2260000.00 2240000.00 2260000.00 2200000.00 276.1249_3.82 330000.00 326000.00 327000.00 291000.00 304000.00 299000.00 130.0652_3.85 114000.00 113000.00 106000.00 105000.00 97200.00 101000.00 272.1865_4.01 175000.00 176000.00 144000.00 156000.00 147000.00 157000.00 294.9794_4.02 24300.00 22800.00 23200.00 26100.00 24600.00 23200.00 121.0295_4.03 250000.00 250000.00 263000.00 258000.00 256000.00 303000.00 196.0611_4.03 261000.00 175000.00 179000.00 234000.00 168000.00 169000.00 291.0071_4.03 81200.00 120000.00 132000.00 120000.00 122000.00 132000.00 445.032_4.03 3810.00 3190.00 4500.00 2340.00 2500.00 3230.00 415.0712_4.03 2440.00 1850.00 2250.00 1720.00 1220.00 1940.00 249.9805_4.03 16000.00 16600.00 17000.00 17600.00 18900.00 17700.00 218.0435_4.04 13600.00 10200.00 10600.00 11300.00 11300.00 11500.00 264.1968_4.11 574000.00 557000.00 579000.00 554000.00 558000.00 548000.00 254.0597_4.15 149000.00 156000.00 156000.00 152000.00 155000.00 151000.00 268.1915_4.28 454000.00 451000.00 445000.00 420000.00 434000.00 417000.00 107.0496_4.36 38700.00 39100.00 38500.00 37600.00 38100.00 35800.00 481.2623_4.37 191000.00 190000.00 184000.00 178000.00 176000.00 172000.00 476.3068_4.37 185000.00 180000.00 182000.00 168000.00 170000.00 163000.00 495.2414_4.37 112000.00 113000.00 113000.00 113000.00 107000.00 105000.00 490.286_4.37 91500.00 91100.00 90100.00 91400.00 87900.00 86400.00 459.2802_4.37 101000.00 95300.00 97900.00 96800.00 87000.00 83900.00 473.2595_4.37 45800.00 45900.00 46200.00 43900.00 41400.00 42500.00 509.2206_4.37 34000.00 35200.00 33500.00 33900.00 33400.00 34300.00 504.2646_4.37 25900.00 26300.00 23700.00 24400.00 24100.00 24700.00 504.3375_4.37 6820.00 6100.00 5730.00 6240.00 6010.00 5750.00 487.238_4.37 6440.00 6940.00 6660.00 7010.00 7040.00 6190.00 525.193_4.37 6220.00 5810.00 6760.00 6910.00 6450.00 6850.00 257.1039_4.37 11900.00 8330.00 12700.00 9050.00 10200.00 10200.00 249.117_4.37 12400.00 11800.00 11800.00 13800.00 9810.00 9810.00 264.1595_4.38 161000.00 166000.00 159000.00 153000.00 143000.00 147000.00 258.1854_4.42 13400.00 11600.00 11600.00 11800.00 10800.00 10000.00 307.079_4.45 78300.00 76800.00 69400.00 70400.00 70800.00 58900.00 Cyclo(leucylprolyl) 88900.00 93400.00 92200.00 87400.00 83400.00 87800.00 31800.00 30800.00 36700.00 33800.00 32900.00 35000.00 354.5301_4.46 74800.00 73700.00 74400.00 80700.00 78500.00 75200.00 304.1544_4.47 3010000.00 3050000.00 2960000.00 2820000.00 2840000.00 2790000.00 211.1444_4.47 55700.00 58400.00 52500.00 51300.00 49400.00 49500.00 354.1954_4.47 134000.00 128000.00 140000.00 128000.00 136000.00 136000.00 530.7889_4.47 131000.00 128000.00 124000.00 124000.00 129000.00 124000.00 284.1856_4.48 192000.00 192000.00 189000.00 184000.00 181000.00 177000.00 525.288_4.53 138000.00 140000.00 135000.00 139000.00 130000.00 129000.00 520.3326_4.53 132000.00 134000.00 131000.00 127000.00 128000.00 134000.00 503.306_4.53 78100.00 77600.00 79400.00 76600.00 75600.00 72900.00 539.2674_4.53 81900.00 80200.00 79000.00 75500.00 80300.00 74100.00 534.3118_4.53 69800.00 68800.00 70400.00 64700.00 66400.00 66400.00 517.2854_4.53 26200.00 28800.00 27900.00 26300.00 25600.00 26000.00 553.2462_4.53 18400.00 17700.00 19000.00 18200.00 16900.00 18300.00 250.1804_4.53 49900.00 46800.00 46900.00 42500.00 43800.00 42700.00 555.2417_4.53 13900.00 15100.00 13400.00 13100.00 13800.00 13200.00 245.1499_4.56 154000.00 141000.00 137000.00 126000.00 143000.00 130000.00 267.1314_4.56 73200.00 70200.00 67700.00 57500.00 61500.00 60000.00 549.7887_4.56 116000.00 108000.00 117000.00 115000.00 115000.00 110000.00 408.1263_4.62 268000.00 262000.00 265000.00 249000.00 254000.00 253000.00 564.3587_4.62 89300.00 86600.00 84900.00 79400.00 82600.00 80500.00 585.2907_4.62 16100.00 16500.00 14700.00 13200.00 14100.00 14400.00 271.0791_4.63 250000.00 235000.00 226000.00 218000.00 213000.00 211000.00 569.3143_4.63 91200.00 87500.00 90500.00 81300.00 81400.00 84200.00 547.3324_4.63 45800.00 44900.00 43700.00 39800.00 42500.00 41100.00 583.2935_4.63 42100.00 42700.00 43000.00 41400.00 42100.00 40800.00 578.338_4.63 35100.00 35200.00 34400.00 33800.00 32900.00 32000.00 561.3112_4.63 15600.00 14100.00 15200.00 14800.00 13700.00 14100.00 Acetyl-L-Leucine 8860.00 8080.00 8840.00 8430.00 8530.00 7010.00 272.1858_4.66 87100.00 76000.00 78900.00 76600.00 78900.00 74300.00 302.1963_4.66 79900.00 76300.00 74700.00 74900.00 70000.00 72800.00 613.3403_4.7 42400.00 39900.00 38900.00 38600.00 39300.00 39900.00 608.3849_4.7 43400.00 43600.00 42400.00 43400.00 41100.00 39900.00 591.3585_4.7 23900.00 22800.00 22100.00 22300.00 21700.00 20800.00 627.3195_4.7 17700.00 17500.00 17300.00 18200.00 17600.00 17100.00 279.1703_4.7 81800.00 88900.00 90000.00 87000.00 86800.00 82800.00 768.8498_4.72 187000.00 178000.00 185000.00 193000.00 197000.00 180000.00 156.0105_4.73 77500.00 81100.00 96000.00 85700.00 80000.00 88900.00 225.1105_4.74 200000.00 195000.00 187000.00 179000.00 181000.00 157000.00 344.2071_4.74 135000.00 132000.00 125000.00 123000.00 113000.00 113000.00 167.1068_4.74 74300.00 81600.00 83900.00 76500.00 74500.00 71400.00 657.3663_4.75 14300.00 16400.00 15700.00 14600.00 15900.00 15400.00 342.2272_4.77 124000.00 120000.00 122000.00 106000.00 111000.00 111000.00 Phe-Ala-Phe-Ala 20500.00 19500.00 15900.00 23500.00 24600.00 22900.00 186.1129_4.8 89500.00 86800.00 88500.00 77300.00 82300.00 76500.00 532.1743_4.84 54000.00 53500.00 51700.00 54500.00 47900.00 46000.00 304.2119_4.86 357000.00 350000.00 339000.00 333000.00 322000.00 319000.00 404.5575_4.9 505000.00 517000.00 496000.00 510000.00 512000.00 491000.00 606.3313_4.9 332000.00 323000.00 334000.00 327000.00 331000.00 320000.00 400.169_4.91 160000.00 154000.00 149000.00 138000.00 142000.00 139000.00 352.1656_4.91 4430.00 4460.00 5230.00 4420.00 4150.00 3830.00 404.8919_4.91 332000.00 335000.00 326000.00 316000.00 347000.00 322000.00 375.262_4.92 683000.00 685000.00 673000.00 643000.00 636000.00 631000.00 400.1688_4.92 9090.00 9660.00 10000.00 9180.00 9440.00 8940.00 312.1176_4.94 536000.00 530000.00 520000.00 499000.00 501000.00 476000.00 HWESASXX 6500.00 5930.00 6870.00 7340.00 6270.00 6110.00 257.1499_4.99 263000.00 253000.00 248000.00 245000.00 236000.00 218000.00 149.024_4.99 69000.00 69700.00 76800.00 73300.00 79200.00 77900.00 330.2273_5.04 143000.00 147000.00 142000.00 133000.00 133000.00 125000.00 328.2118_5.05 112000.00 112000.00 111000.00 101000.00 64900.00 67300.00 346.2225_5.05 88900.00 87700.00 81300.00 78000.00 77200.00 79400.00 332.2427_5.05 54100.00 47200.00 46000.00 43400.00 44900.00 42600.00 414.1478_5.1 1230000.00 1210000.00 1170000.00 1120000.00 1090000.00 1060000.00 344.2429_5.1 112000.00 116000.00 108000.00 99600.00 109000.00 97100.00 274.2013_5.1 176000.00 121000.00 119000.00 109000.00 112000.00 109000.00 372.1585_5.16 28800.00 27100.00 28000.00 28500.00 28600.00 27700.00 170.0612_5.17 294000.00 285000.00 287000.00 271000.00 270000.00 250000.00 245.0923_5.17 93400.00 90500.00 89100.00 85200.00 83000.00 77000.00 723.362_5.17 75100.00 74200.00 72300.00 73300.00 74100.00 73800.00 370.1217_5.23 202000.00 191000.00 195000.00 187000.00 191000.00 171000.00 261.1166_5.27 65700.00 61200.00 57100.00 56100.00 53800.00 46900.00 131.0492_5.31 168000.00 168000.00 170000.00 159000.00 154000.00 149000.00 267.1565_5.32 119000.00 118000.00 114000.00 37300.00 33300.00 34100.00 267.157_5.33 57200.00 59900.00 63400.00 22600.00 24900.00 23400.00 286.2015_5.34 6270000.00 6130000.00 6130000.00 5840000.00 5830000.00 5650000.00 484.2323_5.34 155000.00 157000.00 144000.00 137000.00 139000.00 136000.00 221.0794_5.36 119000.00 117000.00 107000.00 106000.00 108000.00 98300.00 286.2015_5.37 122000.00 113000.00 115000.00 83500.00 89500.00 81300.00 328.2116_5.4 101000.00 98600.00 96200.00 94200.00 91700.00 87900.00 130.0652_5.41 149000.00 145000.00 149000.00 135000.00 144000.00 136000.00 631.0113_5.41 94900.00 89800.00 88800.00 92600.00 92100.00 86700.00 176.0708_5.42 74600.00 72300.00 66600.00 69600.00 70200.00 62700.00 130.0653_5.42 51600.00 47300.00 50800.00 47300.00 47600.00 49200.00 528.2803_5.42 478000.00 458000.00 468000.00 463000.00 457000.00 462000.00 237.1035_5.44 274000.00 267000.00 249000.00 253000.00 241000.00 236000.00 363.1438_5.45 202000.00 197000.00 190000.00 192000.00 193000.00 176000.00 277.095_5.45 107000.00 105000.00 99700.00 101000.00 104000.00 93500.00 trans-Resveratrol 57500.00 57500.00 55300.00 57100.00 58100.00 49700.00 421.1472_5.46 760000.00 717000.00 662000.00 670000.00 651000.00 559000.00 205.1227_5.46 314000.00 302000.00 308000.00 301000.00 292000.00 273000.00 159.1172_5.46 362000.00 354000.00 354000.00 330000.00 332000.00 315000.00 416.1914_5.46 273000.00 256000.00 239000.00 242000.00 233000.00 193000.00 437.1197_5.46 193000.00 190000.00 174000.00 169000.00 168000.00 132000.00 453.0838_5.46 99500.00 118000.00 114000.00 105000.00 106000.00 126000.00 185.1154_5.46 53700.00 58100.00 51500.00 85200.00 79400.00 77300.00 185.1155_5.47 190000.00 186000.00 196000.00 199000.00 221000.00 221000.00 278.1908_5.48 1090000.00 1070000.00 1050000.00 998000.00 1010000.00 947000.00 272.2015_5.48 99000.00 97400.00 102000.00 93700.00 93700.00 90700.00 296.1215_5.52 9290.00 9380.00 10900.00 10000.00 9530.00 9520.00 296.1221_5.54 316000.00 311000.00 314000.00 294000.00 306000.00 294000.00 330.2276_5.56 1120000.00 1100000.00 1080000.00 1030000.00 1010000.00 994000.00 199.0949_5.56 87400.00 86900.00 83700.00 88700.00 84200.00 71300.00 288.217_5.57 227000.00 216000.00 211000.00 203000.00 209000.00 194000.00 435.1262_5.59 215000.00 194000.00 186000.00 179000.00 183000.00 161000.00 191.105_5.59 387000.00 384000.00 408000.00 386000.00 384000.00 398000.00 219.1022_5.59 143000.00 135000.00 129000.00 127000.00 126000.00 124000.00 430.171_5.59 75600.00 70300.00 63100.00 62600.00 65600.00 59000.00 451.0971_5.59 54600.00 49500.00 46200.00 45500.00 43800.00 40600.00 384.1742_5.59 6130.00 5950.00 5360.00 6180.00 6200.00 6010.00 325.1716_5.6 234000.00 230000.00 230000.00 215000.00 224000.00 212000.00 220.1372_5.6 142000.00 136000.00 136000.00 129000.00 129000.00 121000.00 764.4783_5.6 467.0637_5.6 64400.00 68700.00 68000.00 64500.00 64100.00 77700.00 395.1337_5.61 147000.00 143000.00 131000.00 131000.00 128000.00 124000.00 167.0862_5.63 304000.00 296000.00 294000.00 288000.00 272000.00 276000.00 222.1137_5.63 155000.00 151000.00 151000.00 142000.00 146000.00 134000.00 311.1554_5.65 127000.00 133000.00 123000.00 122000.00 125000.00 116000.00 432.2018_5.66 322000.00 310000.00 290000.00 292000.00 277000.00 278000.00 398.153_5.66 18000.00 14600.00 14900.00 17100.00 16100.00 14800.00 211.0153_5.66 141000.00 148000.00 149000.00 150000.00 149000.00 143000.00 308.1806_5.67 244000.00 232000.00 234000.00 229000.00 227000.00 234000.00 464.1913_5.67 52100.00 50400.00 49000.00 48000.00 47700.00 46100.00 308.1773_5.67 272000.00 265000.00 265000.00 248000.00 248000.00 247000.00 310.2016_5.68 2940000.00 2870000.00 2820000.00 2710000.00 2690000.00 2630000.00 398.1536_5.69 810000.00 777000.00 774000.00 754000.00 730000.00 711000.00 191.1045_5.69 236000.00 284000.00 310000.00 286000.00 299000.00 315000.00 217.9905_5.7 786000.00 801000.00 787000.00 802000.00 735000.00 741000.00 296.0705_5.7 63200.00 58100.00 58400.00 54500.00 55200.00 54100.00 141.0698_5.71 119000.00 106000.00 109000.00 108000.00 103000.00 105000.00 300.2172_5.73 1400000.00 1370000.00 1340000.00 1290000.00 1260000.00 1250000.00 217.9903_5.73 492000.00 575000.00 597000.00 583000.00 607000.00 700000.00 Octanoylcarnitine 65900.00 61300.00 62600.00 58000.00 62900.00 58200.00 68500.00 62000.00 63600.00 49600.00 50600.00 54500.00 354.1257_5.75 263000.00 251000.00 243000.00 239000.00 232000.00 229000.00 171.1498_5.75 143000.00 143000.00 147000.00 135000.00 134000.00 141000.00 354.1271_5.76 36000.00 33900.00 35700.00 37100.00 38900.00 38100.00 330.2271_5.8 51400.00 53000.00 51900.00 49600.00 47700.00 49100.00 233.9847_5.8 3220.00 3310.00 3960.00 4420.00 3890.00 3570.00 464.1906_5.82 155000.00 142000.00 141000.00 133000.00 131000.00 127000.00 267.1203_5.82 195000.00 191000.00 172000.00 171000.00 161000.00 151000.00 211.094_5.82 119000.00 111000.00 116000.00 108000.00 106000.00 99300.00 151.0754_5.82 74000.00 73600.00 66900.00 70000.00 68600.00 67400.00 463.1568_5.82 79000.00 69900.00 67300.00 68500.00 66500.00 58600.00 217.9903_5.85 816000.00 854000.00 870000.00 845000.00 853000.00 967000.00 271.1654_5.87 831000.00 809000.00 787000.00 753000.00 742000.00 695000.00 167.0855_5.87 148000.00 152000.00 143000.00 136000.00 132000.00 136000.00 272.1659_5.87 502000.00 486000.00 494000.00 467000.00 460000.00 448000.00 293.1467_5.88 669000.00 613000.00 568000.00 565000.00 551000.00 495000.00 310.2016_5.9 3480000.00 3390000.00 3370000.00 3230000.00 3200000.00 3090000.00 369.1519_5.93 411000.00 375000.00 358000.00 362000.00 356000.00 318000.00 311.1491_5.93 128000.00 137000.00 132000.00 130000.00 123000.00 118000.00 135.1169_5.93 77300.00 75800.00 69800.00 71400.00 67200.00 70700.00 401.0892_5.94 107000.00 106000.00 110000.00 100000.00 102000.00 116000.00 336.2168_5.95 170000.00 170000.00 165000.00 161000.00 139000.00 152000.00 326.1964_5.97 328000.00 320000.00 311000.00 308000.00 300000.00 283000.00 Estriol 131000.00 132000.00 132000.00 116000.00 130000.00 120000.00 300.217_6.02 302000.00 280000.00 285000.00 267000.00 263000.00 259000.00 356.243_6.07 170000.00 163000.00 157000.00 117000.00 146000.00 114000.00 302.2329_6.13 2000000.00 1960000.00 1920000.00 1850000.00 1820000.00 1780000.00 cis-Resveratrol 53100.00 61000.00 55800.00 58900.00 56600.00 49900.00 200.1287_6.17 98800.00 94700.00 90500.00 92000.00 85600.00 86100.00 502.2951_6.18 7310.00 6270.00 6360.00 6430.00 6000.00 6090.00 314.2324_6.18 174000.00 167000.00 172000.00 157000.00 157000.00 154000.00 585.271_6.21 184000.00 180000.00 176000.00 191000.00 184000.00 175000.00 240.1599_6.22 313000.00 294000.00 275000.00 261000.00 262000.00 246000.00 205.1228_6.22 278000.00 268000.00 263000.00 251000.00 250000.00 247000.00 245.1152_6.22 239000.00 231000.00 215000.00 210000.00 207000.00 203000.00 159.1172_6.22 191000.00 186000.00 178000.00 169000.00 174000.00 167000.00 277.0521_6.22 113000.00 116000.00 121000.00 110000.00 109000.00 133000.00 261.0881_6.22 68800.00 64900.00 64900.00 60600.00 62700.00 56600.00 185.097_6.28 155000.00 146000.00 143000.00 146000.00 143000.00 137000.00 461.0525_6.28 80100.00 82300.00 85700.00 82200.00 77000.00 96900.00 149.0242_6.29 375000.00 385000.00 393000.00 379000.00 385000.00 394000.00 231.1021_6.3 197000.00 189000.00 192000.00 181000.00 177000.00 164000.00 429.1156_6.3 196000.00 188000.00 182000.00 177000.00 174000.00 159000.00 231.0637_6.3 199000.00 205000.00 209000.00 196000.00 198000.00 207000.00 312.217_6.31 274000.00 270000.00 265000.00 257000.00 253000.00 247000.00 338.2326_6.31 121000.00 190000.00 110000.00 106000.00 113000.00 107000.00 389.1229_6.31 76400.00 68900.00 68400.00 69200.00 67300.00 62300.00 748.4837_6.32 115.00 356.2431_6.38 105000.00 100000.00 98000.00 102000.00 92300.00 99400.00 128.9525_6.39 463000.00 471000.00 442000.00 460000.00 430000.00 458000.00 219.1023_6.42 860000.00 844000.00 806000.00 770000.00 784000.00 759000.00 117.0701_6.42 135000.00 122000.00 133000.00 125000.00 123000.00 118000.00 297.168_6.42 126000.00 132000.00 124000.00 124000.00 120000.00 112000.00 259.0945_6.43 3470000.00 3380000.00 3190000.00 3130000.00 3130000.00 2950000.00 254.1393_6.43 1260000.00 1210000.00 1150000.00 1130000.00 1130000.00 1070000.00 191.1071_6.43 734000.00 727000.00 703000.00 683000.00 690000.00 660000.00 291.0319_6.43 671000.00 681000.00 699000.00 657000.00 649000.00 744000.00 275.0653_6.43 422000.00 414000.00 424000.00 400000.00 388000.00 367000.00 145.1015_6.43 153000.00 156000.00 150000.00 149000.00 146000.00 138000.00 163.0757_6.43 104000.00 98000.00 86100.00 94600.00 97800.00 91000.00 248.0498_6.43 70500.00 79000.00 73100.00 68700.00 71200.00 73400.00 259.0937_6.43 106000.00 109000.00 115000.00 110000.00 117000.00 115000.00 Sebacic acid 51500.00 35200.00 33800.00 32300.00 42000.00 41100.00 22200.00 28500.00 24200.00 22400.00 23600.00 24600.00 314.2327_6.51 1380000.00 1350000.00 1130000.00 1310000.00 1270000.00 1260000.00 350.2325_6.51 97900.00 93900.00 95300.00 88000.00 93300.00 92200.00 343.1366_6.6 88200.00 86700.00 85400.00 77500.00 77100.00 74400.00 358.2589_6.61 760000.00 757000.00 734000.00 688000.00 696000.00 688000.00 248.1683_6.65 255000.00 255000.00 248000.00 235000.00 237000.00 231000.00 231.1417_6.65 78200.00 79600.00 73200.00 73500.00 73500.00 69900.00 225.1107_6.65 21000.00 20700.00 22100.00 19200.00 20000.00 20000.00 406.2027_6.73 461000.00 448000.00 437000.00 447000.00 451000.00 439000.00 316.2482_6.73 127000.00 125000.00 88700.00 115000.00 116000.00 87200.00 406.2028_6.73 497000.00 479000.00 476000.00 491000.00 483000.00 473000.00 209.1152_6.79 39000.00 38400.00 38900.00 34400.00 35600.00 40700.00 213.1468_6.9 32400.00 33900.00 34400.00 48300.00 46700.00 45500.00 213.1467_6.91 24800.00 24400.00 31900.00 24400.00 29300.00 36400.00 328.2483_6.95 303000.00 291000.00 290000.00 278000.00 278000.00 271000.00 226.1807_7.12 139000.00 142000.00 141000.00 140000.00 143000.00 132000.00 266.1731_7.12 134000.00 124000.00 127000.00 139000.00 143000.00 128000.00 244.1913_7.13 70600.00 65300.00 68000.00 68400.00 70000.00 66200.00 349.1961_7.13 135000.00 139000.00 145000.00 142000.00 152000.00 130000.00 245.0788_7.15 80600.00 80800.00 83600.00 80400.00 102000.00 122000.00 274.1838_7.16 109000.00 114000.00 108000.00 110000.00 104000.00 96500.00 149.0241_7.17 74600.00 83700.00 91300.00 84700.00 94500.00 112000.00 313.2851_7.26 101000.00 96300.00 90500.00 91400.00 90200.00 85200.00 313.2849_7.26 75900.00 75500.00 71700.00 69400.00 65000.00 68300.00 274.1839_7.28 105000.00 102000.00 101000.00 102000.00 101000.00 96700.00 228.1964_7.3381 283000.00 275000.00 264000.00 309000.00 319000.00 299000.00 250.1783_7.3403 351000.00 339000.00 351000.00 407000.00 403000.00 376000.00 250.1783_7.3409 558000.00 536000.00 557000.00 540000.00 547000.00 546000.00 228.1964_7.3409 476000.00 461000.00 481000.00 456000.00 460000.00 449000.00 Naproxen 23400.00 26100.00 22700.00 23900.00 23600.00 22000.00 225.1261_7.419 210000.00 214000.00 199000.00 213000.00 210000.00 192000.00 183.0791_7.42 144000.00 140000.00 135000.00 136000.00 142000.00 128000.00 141.0316_7.42 51900.00 47800.00 51200.00 49600.00 52500.00 52100.00 98.984_7.42 216000.00 216000.00 202000.00 212000.00 216000.00 191000.00 247.1076_7.42 723000.00 718000.00 721000.00 650000.00 705000.00 700000.00 225.1261_7.4225 195000.00 173000.00 190000.00 165000.00 178000.00 173000.00 183.0792_7.43 140000.00 133000.00 130000.00 108000.00 121000.00 129000.00 98.984_7.44 166000.00 164000.00 164000.00 170000.00 159000.00 163000.00 158.1544_7.51 40600.00 41400.00 48300.00 37100.00 79500.00 109000.00 277.1412_7.55 51200.00 47300.00 49200.00 42700.00 45500.00 42800.00 583.2548_7.58 86500.00 91200.00 78000.00 81800.00 81900.00 64600.00 185.0971_7.61 112000.00 110000.00 114000.00 102000.00 100000.00 107000.00 Budesonide 45100.00 40500.00 44100.00 40600.00 37600.00 38900.00 355.1727_7.68 202000.00 200000.00 186000.00 186000.00 179000.00 171000.00 405.1521_7.79 501000.00 501000.00 503000.00 481000.00 456000.00 423000.00 161.133_7.79 209000.00 215000.00 225000.00 205000.00 201000.00 195000.00 400.1965_7.79 122000.00 116000.00 113000.00 113000.00 116000.00 97100.00 Dodecanoylcarnitine 32000.00 28200.00 30000.00 24800.00 24000.00 22600.00 437.0892_7.8 243000.00 244000.00 237000.00 231000.00 243000.00 256000.00 167.086_7.87 96800.00 89700.00 87800.00 86100.00 86500.00 86400.00 149.0237_7.92 110000.00 113000.00 119000.00 111000.00 113000.00 112000.00 286.1442_7.98 138000.00 144000.00 136000.00 128000.00 136000.00 130000.00 348.9902_8.05 127000.00 115000.00 120000.00 79100.00 89100.00 82800.00 350.9873_8.0521 120000.00 117000.00 113000.00 77600.00 81600.00 76700.00 350.9873_8.0539 68400.00 73000.00 73600.00 59300.00 61300.00 64700.00 348.9902_8.06 92000.00 91300.00 95400.00 74800.00 76700.00 78400.00 353.2297_8.12 49400.00 56700.00 55800.00 65700.00 69300.00 66000.00 259.0922_8.13 9850.00 16600.00 17600.00 19300.00 21000.00 20500.00 286.1442_8.15 130000.00 127000.00 128000.00 120000.00 115000.00 125000.00 gamma-Muricholic acid 10700.00 10900.00 11300.00 8610.00 9590.00 9520.00 225.1966_8.32 95200.00 88300.00 88100.00 31500.00 29400.00 27800.00 337.1049_8.33 374000.00 377000.00 375000.00 372000.00 367000.00 362000.00 149.06_8.33 74300.00 83500.00 84000.00 80600.00 78000.00 85600.00 414.3002_8.49 102000.00 99500.00 107000.00 96900.00 106000.00 96300.00 536.3346_8.58 68700.00 66100.00 70500.00 67000.00 74500.00 67200.00 354.2852_8.72 178000.00 184000.00 180000.00 181000.00 180000.00 175000.00 360.2438_8.72 94000.00 91300.00 87100.00 92100.00 84200.00 89100.00 359.2408_8.72 508000.00 500000.00 503000.00 501000.00 509000.00 488000.00 359.2407_8.72 559000.00 553000.00 516000.00 542000.00 538000.00 503000.00 354.285_8.73 160000.00 151000.00 148000.00 150000.00 146000.00 144000.00 360.2439_8.73 91400.00 94000.00 89800.00 88400.00 81200.00 86700.00 536.3345_8.74 54500.00 53700.00 55400.00 51500.00 57700.00 51900.00 353.2296_8.76 53500.00 55400.00 63200.00 59000.00 62700.00 61400.00 343.2956_8.7779 70300.00 68500.00 69100.00 77200.00 77700.00 75900.00 343.2956_8.7825 98800.00 84200.00 88600.00 100000.00 89100.00 90400.00 243.1361_9.1065 155000.00 138000.00 146000.00 146000.00 142000.00 136000.00 243.1361_9.1109 122000.00 121000.00 118000.00 114000.00 113000.00 111000.00 335.2195_9.48 899000.00 898000.00 929000.00 868000.00 942000.00 907000.00 295.227_9.48 189000.00 183000.00 189000.00 175000.00 193000.00 183000.00 367.1573_9.48 101000.00 101000.00 92600.00 105000.00 97400.00 95100.00 313.2374_9.48 67800.00 66000.00 68100.00 64200.00 66700.00 68500.00 277.216_9.48 61600.00 59800.00 58800.00 55500.00 56200.00 59500.00 Sphingosine (d18:1) 49200.00 56800.00 57600.00 58000.00 61000.00 59800.00 361.3039_9.67 219000.00 213000.00 208000.00 188000.00 200000.00 196000.00 Chenodeoxycholic Acid 30400.00 30500.00 31900.00 27900.00 30300.00 29800.00 365.1362_9.71 246000.00 257000.00 264000.00 254000.00 261000.00 255000.00 Lovastatin Hydroxy Acid 14100.00 10900.00 37900.00 11600.00 37700.00 54700.00 196.0075_9.83 1350000.00 1350000.00 1290000.00 1290000.00 1210000.00 1220000.00 137.9646_9.86 1830000.00 1850000.00 1770000.00 1790000.00 1680000.00 1740000.00 Sphinganine (d18:0) Deoxycholic acid 34300.00 37400.00 33800.00 35700.00 36100.00 37000.00 377.1637_9.96 252000.00 241000.00 254000.00 260000.00 254000.00 252000.00 330.1156_9.97 913000.00 949000.00 920000.00 927000.00 871000.00 905000.00 374.1066_9.97 809000.00 825000.00 773000.00 805000.00 741000.00 767000.00 889.3817_9.98 458000.00 440000.00 442000.00 436000.00 430000.00 411000.00 873.4095_9.98 220000.00 208000.00 220000.00 222000.00 223000.00 205000.00 569.2406_9.98 167000.00 172000.00 166000.00 168000.00 167000.00 170000.00 652.2333_9.98 114000.00 109000.00 106000.00 103000.00 105000.00 96900.00 666.285_9.98 77500.00 73600.00 75800.00 70800.00 75200.00 69100.00 191.0708_9.98 72400.00 76900.00 75000.00 78200.00 76900.00 76800.00 393.1357_9.98 224000.00 234000.00 221000.00 224000.00 215000.00 216000.00 859.4224_9.98 64300.00 64900.00 69800.00 65200.00 69800.00 64400.00 139.0401_9.98 175000.00 178000.00 176000.00 182000.00 180000.00 189000.00 879.4257_9.98 67600.00 63700.00 66600.00 63700.00 72100.00 63300.00 323.1227_9.99 249000.00 239000.00 248000.00 238000.00 263000.00 252000.00 595.2579_9.99 308000.00 285000.00 300000.00 307000.00 302000.00 291000.00 390.1499_9.99 281000.00 277000.00 274000.00 256000.00 251000.00 250000.00 349.1456_9.99 184000.00 182000.00 175000.00 175000.00 167000.00 183000.00 670.2801_10 435000.00 420000.00 406000.00 419000.00 407000.00 406000.00 601.275_10 348000.00 321000.00 349000.00 327000.00 360000.00 327000.00 71.0856_10 183000.00 180000.00 190000.00 172000.00 182000.00 169000.00 113.1324_10 102000.00 92700.00 98900.00 93900.00 98900.00 87500.00 371.1185_10 140000.00 139000.00 133000.00 127000.00 130000.00 132000.00 217.9902_10 112000.00 104000.00 95400.00 114000.00 107000.00 114000.00 495.171_10.01 113000.00 109000.00 110000.00 103000.00 114000.00 110000.00 334.1117_10.01 159000.00 172000.00 162000.00 166000.00 153000.00 165000.00 Palmitoylcarnitine 56800.00 54800.00 54500.00 49200.00 45200.00 43900.00 434.1433_10.02 195000.00 193000.00 179000.00 181000.00 173000.00 177000.00 358.1327_10.02 200000.00 201000.00 199000.00 213000.00 208000.00 191000.00 611.2302_10.03 1090000.00 1090000.00 1080000.00 1080000.00 1030000.00 1040000.00 379.0844_10.03 381000.00 394000.00 365000.00 384000.00 358000.00 370000.00 409.1804_10.03 157000.00 151000.00 153000.00 150000.00 153000.00 149000.00 301.1416_10.04 19000000.00 18700000.00 19000000.00 18300000.00 19000000.00 18800000.00 121.0291_10.04 836000.00 801000.00 848000.00 797000.00 815000.00 789000.00 579.293_10.05 3390000.00 3170000.00 3280000.00 3180000.00 3370000.00 3170000.00 279.1597_10.05 2270000.00 2190000.00 2180000.00 2120000.00 2170000.00 2070000.00 317.1145_10.05 648000.00 617000.00 637000.00 608000.00 624000.00 603000.00 366.2407_10.07 49600.00 52000.00 50100.00 51700.00 50800.00 50000.00 452.1863_10.07 1080000.00 1080000.00 1030000.00 1070000.00 996000.00 1020000.00 149.0244_10.08 23700000.00 23000000.00 21500000.00 22700000.00 21100000.00 20800000.00 167.0346_10.08 3240000.00 3100000.00 3170000.00 3140000.00 3200000.00 3110000.00 209.0819_10.08 674000.00 594000.00 662000.00 666000.00 612000.00 618000.00 291.1948_10.13 165000.00 154000.00 166000.00 166000.00 154000.00 149000.00 403.3613_10.13 301000.00 288000.00 286000.00 228000.00 217000.00 210000.00 291.194_10.14 109000.00 110000.00 107000.00 65300.00 57000.00 67100.00 468.309_10.16 203000.00 193000.00 205000.00 169000.00 166000.00 154000.00 301.1418_10.17 2050000.00 2050000.00 2010000.00 1940000.00 1960000.00 1880000.00 279.1609_10.17 252000.00 243000.00 252000.00 248000.00 239000.00 234000.00 149.0246_10.19 748000.00 752000.00 769000.00 744000.00 751000.00 734000.00 149.0245_10.21 761000.00 746000.00 775000.00 755000.00 760000.00 727000.00 379.0855_10.28 173000.00 166000.00 175000.00 246000.00 190000.00 201000.00 279.1606_10.28 472000.00 447000.00 471000.00 506000.00 530000.00 535000.00 303.1482_10.28 77500.00 72900.00 87800.00 81000.00 86800.00 86300.00 317.1158_10.28 125000.00 118000.00 131000.00 139000.00 137000.00 135000.00 438.1348_10.29 131000.00 123000.00 137000.00 138000.00 126000.00 160000.00 579.2936_10.29 161000.00 164000.00 172000.00 198000.00 206000.00 200000.00 301.1425_10.29 4140000.00 3850000.00 4230000.00 4440000.00 4680000.00 4770000.00 205.0873_10.29 274000.00 255000.00 266000.00 296000.00 306000.00 316000.00 378.2649_10.29 74800.00 75100.00 78800.00 77500.00 85200.00 84500.00 280.1638_10.29 75000.00 69600.00 71900.00 80700.00 77000.00 79500.00 100.1124_10.29 253000.00 247000.00 250000.00 252000.00 260000.00 256000.00 518.3254_10.34 190000.00 186000.00 191000.00 145000.00 164000.00 149000.00 542.3255_10.37 287000.00 284000.00 287000.00 221000.00 231000.00 220000.00 494.3242_10.5 592000.00 575000.00 587000.00 473000.00 490000.00 481000.00 Simvastatin 67300.00 64300.00 68200.00 67400.00 68700.00 73800.00 60100.00 50700.00 48900.00 52400.00 54800.00 59400.00 349.2352_10.53 180000.00 183000.00 192000.00 206000.00 201000.00 208000.00 319.224_10.67 86300.00 84500.00 84700.00 82400.00 89200.00 86000.00 520.3402_10.72 2300000.00 2290000.00 2330000.00 1740000.00 1820000.00 1750000.00 287.6341_10.72 166000.00 172000.00 173000.00 130000.00 126000.00 135000.00 279.6473_10.72 58600.00 64600.00 61800.00 54600.00 50100.00 49700.00 619.2574_10.72 63900.00 68100.00 64000.00 50300.00 48500.00 50400.00 482.3236_10.73 95100.00 94200.00 95600.00 72400.00 79100.00 72900.00 542.3217_10.73 311000.00 303000.00 320000.00 190000.00 216000.00 209000.00 568.339_10.76 110000.00 107000.00 112000.00 79100.00 69900.00 67700.00 544.3399_10.77 840000.00 842000.00 855000.00 611000.00 661000.00 641000.00 566.3216_10.77 97300.00 101000.00 101000.00 63800.00 67600.00 64800.00 315.157_10.85 205000.00 210000.00 207000.00 295000.00 301000.00 304000.00 1061.6533_10.91 215000.00 211000.00 216000.00 142000.00 153000.00 176000.00 547.3008_10.91 190000.00 188000.00 194000.00 141000.00 124000.00 142000.00 619.2574_10.91 172000.00 163000.00 163000.00 149000.00 144000.00 148000.00 574.2599_10.91 57600.00 60800.00 58500.00 55200.00 53700.00 53900.00 520.3402_10.92 13100000.00 12900000.00 13000000.00 10700000.00 11000000.00 10800000.00 287.6342_10.92 676000.00 678000.00 688000.00 623000.00 596000.00 610000.00 279.6478_10.92 273000.00 273000.00 278000.00 245000.00 255000.00 235000.00 615.2623_10.92 152000.00 148000.00 155000.00 126000.00 119000.00 114000.00 633.3082_10.92 94700.00 95900.00 94300.00 82100.00 85000.00 89700.00 558.2957_10.92 217000.00 215000.00 213000.00 185000.00 193000.00 189000.00 285.1332_10.92 62700.00 63900.00 58800.00 54200.00 54000.00 55000.00 1039.6713_10.93 146000.00 139000.00 154000.00 89300.00 95800.00 93100.00 104.1072_10.93 150000.00 153000.00 153000.00 139000.00 117000.00 131000.00 559.2989_10.94 173000.00 170000.00 168000.00 141000.00 137000.00 138000.00 1085.6526_10.95 114000.00 110000.00 117000.00 89300.00 89900.00 97200.00 590.3207_10.95 132000.00 125000.00 127000.00 109000.00 109000.00 105000.00 558.7963_10.95 68800.00 65300.00 68900.00 53300.00 54400.00 53200.00 544.34_10.96 5170000.00 5050000.00 5080000.00 4040000.00 4120000.00 4080000.00 299.6338_10.96 234000.00 234000.00 226000.00 198000.00 178000.00 183000.00 291.6476_10.96 78700.00 78400.00 80900.00 74500.00 75100.00 75400.00 566.3218_10.97 1010000.00 978000.00 989000.00 815000.00 858000.00 830000.00 Sphinganine-phosphate (d18:0) 64500.00 66000.00 60700.00 61600.00 60500.00 58400.00 240.1_11.04 156000.00 155000.00 156000.00 97700.00 85300.00 131000.00 595.2573_11.06 81500.00 82400.00 84500.00 81400.00 71000.00 74500.00 275.6341_11.06 95600.00 93300.00 96200.00 85400.00 68800.00 82500.00 496.3401_11.07 3850000.00 3780000.00 3790000.00 3120000.00 3110000.00 3040000.00 518.322_11.07 698000.00 678000.00 689000.00 553000.00 563000.00 544000.00 267.6476_11.07 87400.00 79900.00 75100.00 64000.00 71900.00 67800.00 184.0742_11.07 86900.00 91800.00 90300.00 76900.00 76200.00 68600.00 478.294_11.09 149000.00 134000.00 141000.00 135000.00 135000.00 127000.00 419.2763_11.11 29900.00 30700.00 30300.00 27900.00 31600.00 31900.00 502.2932_11.13 112000.00 112000.00 105000.00 94400.00 87400.00 84600.00 182.9859_11.13 216000.00 201000.00 194000.00 215000.00 207000.00 211000.00 197.014_11.13 225000.00 220000.00 215000.00 225000.00 232000.00 228000.00 309.2039_11.14 195000.00 184000.00 194000.00 506000.00 503000.00 486000.00 309.2039_11.15 89100.00 82800.00 95500.00 87200.00 91200.00 102000.00 154.9809_11.16 267000.00 264000.00 268000.00 278000.00 254000.00 282000.00 546.3545_11.17 254000.00 251000.00 246000.00 197000.00 190000.00 188000.00 140.9626_11.17 194000.00 207000.00 201000.00 222000.00 201000.00 212000.00 156.0102_11.18 353000.00 349000.00 336000.00 358000.00 337000.00 362000.00 174.0342_11.18 349000.00 357000.00 337000.00 376000.00 357000.00 358000.00 125.985_11.19 154000.00 152000.00 151000.00 171000.00 174000.00 168000.00 375.2501_11.24 25600.00 24600.00 25000.00 26500.00 25300.00 24200.00 570.3549_11.24 280000.00 274000.00 290000.00 212000.00 216000.00 209000.00 496.3406_11.29 18600000.00 18200000.00 18100000.00 16200000.00 16100000.00 15800000.00 518.322_11.29 4100000.00 4000000.00 4010000.00 3620000.00 3690000.00 3580000.00 991.6721_11.29 398000.00 385000.00 369000.00 268000.00 285000.00 263000.00 1013.6544_11.29 487000.00 481000.00 452000.00 417000.00 439000.00 421000.00 275.6343_11.29 537000.00 540000.00 529000.00 510000.00 464000.00 487000.00 267.6478_11.29 426000.00 428000.00 420000.00 385000.00 397000.00 383000.00 534.2955_11.29 308000.00 298000.00 300000.00 272000.00 271000.00 266000.00 591.2622_11.29 257000.00 248000.00 252000.00 212000.00 216000.00 207000.00 296.1474_11.29 229000.00 222000.00 221000.00 205000.00 190000.00 186000.00 595.2577_11.29 260000.00 252000.00 255000.00 239000.00 210000.00 226000.00 609.3085_11.29 191000.00 182000.00 184000.00 171000.00 157000.00 163000.00 478.3263_11.29 64300.00 66700.00 63000.00 62500.00 60100.00 57800.00 523.3002_11.3 353000.00 357000.00 341000.00 288000.00 250000.00 281000.00 515.3141_11.3 109000.00 110000.00 107000.00 91000.00 93400.00 84600.00 312.0298_11.3 117000.00 123000.00 119000.00 109000.00 102000.00 101000.00 104.1073_11.31 143000.00 150000.00 149000.00 131000.00 133000.00 125000.00 LysoPC(16:0) 18600000.00 18300000.00 18200000.00 16300000.00 16200000.00 15900000.00 546.3554_11.37 1460000.00 1440000.00 1460000.00 1100000.00 1130000.00 1110000.00 568.3375_11.37 313000.00 282000.00 322000.00 216000.00 225000.00 207000.00 522.3556_11.39 739000.00 719000.00 751000.00 581000.00 587000.00 553000.00 544.3379_11.39 159000.00 150000.00 157000.00 122000.00 124000.00 113000.00 POV-PC 20100.00 23700.00 23600.00 15500.00 14300.00 14200.00 454.2929_11.47 93700.00 97600.00 93100.00 83500.00 83200.00 74400.00 522.3561_11.59 6050000.00 5980000.00 6000000.00 4600000.00 4700000.00 4590000.00 544.338_11.59 1090000.00 1070000.00 1080000.00 734000.00 793000.00 743000.00 621.2728_11.6 65800.00 68300.00 66900.00 57000.00 54400.00 61400.00 430.2979_11.68 138000.00 141000.00 136000.00 135000.00 142000.00 141000.00 406.3304_11.75 14500.00 14900.00 17200.00 15800.00 18300.00 18200.00 482.3609_11.76 476000.00 475000.00 471000.00 454000.00 455000.00 441000.00 297.2402_11.79 68600.00 76100.00 80900.00 61600.00 60100.00 61100.00 480.3442_11.79 485000.00 482000.00 483000.00 474000.00 473000.00 467000.00 317.2481_11.79 72000.00 75200.00 77100.00 88100.00 95900.00 94300.00 572.371_11.8 89100.00 90300.00 97700.00 69700.00 64000.00 67300.00 510.3554_11.81 288000.00 283000.00 293000.00 217000.00 223000.00 212000.00 PAF C-16 1040000.00 1030000.00 1010000.00 788000.00 801000.00 774000.00 548.3707_11.92 88300.00 88800.00 87700.00 63800.00 66200.00 62000.00 341.2491_11.98 184000.00 184000.00 188000.00 197000.00 202000.00 200000.00 385.1544_11.99 883000.00 873000.00 866000.00 881000.00 912000.00 863000.00 317.2475_11.99 367000.00 455000.00 467000.00 503000.00 415000.00 516000.00 462.2771_11.99 107000.00 110000.00 118000.00 116000.00 112000.00 114000.00 321.2399_11.99 61600.00 58500.00 61600.00 61400.00 67200.00 59200.00 438.2979_12 84600.00 89100.00 84000.00 74800.00 80200.00 79400.00 251.0472_12 1140000.00 1150000.00 1120000.00 1130000.00 1140000.00 1100000.00 381.2405_12.01 561000.00 560000.00 556000.00 595000.00 611000.00 611000.00 508.3761_12.02 289000.00 296000.00 302000.00 284000.00 283000.00 273000.00 357.2404_12.03 1100000.00 1100000.00 1130000.00 1210000.00 1290000.00 1280000.00 2-O-methyl PAF C16 9000.00 12300.00 10300.00 8860.00 9010.00 506.3601_12.06 55400.00 58200.00 58500.00 53000.00 57100.00 55200.00 LysoPC(18:0) 1040000.00 1040000.00 1020000.00 791000.00 805000.00 770000.00 524.3713_12.17 1080000.00 1090000.00 1060000.00 828000.00 824000.00 801000.00 546.3524_12.17 111000.00 116000.00 111000.00 89800.00 85900.00 83100.00 383.2558_12.26 110000.00 119000.00 114000.00 132000.00 125000.00 129000.00 319.2628_12.27 91600.00 90000.00 95300.00 97800.00 107000.00 113000.00 359.2426_12.28 521000.00 541000.00 539000.00 568000.00 577000.00 577000.00 2-O-ethyl PAF C-16 131000.00 126000.00 130000.00 108000.00 126000.00 117000.00 562.3264_12.38 108000.00 110000.00 107000.00 74300.00 81800.00 70200.00 619.2935_12.38 96800.00 96100.00 87800.00 77300.00 74700.00 74700.00 524.3715_12.39 7670000.00 7540000.00 7500000.00 5900000.00 5860000.00 5740000.00 546.3533_12.39 1850000.00 1820000.00 1790000.00 1280000.00 1320000.00 1230000.00 281.6634_12.39 216000.00 227000.00 216000.00 173000.00 168000.00 167000.00 289.6495_12.39 139000.00 145000.00 149000.00 119000.00 116000.00 123000.00 551.3317_12.39 54400.00 55900.00 59100.00 41600.00 38700.00 39900.00 623.2887_12.4 95500.00 93000.00 100000.00 87500.00 75600.00 73100.00 Palmitoyl-EA 6980.00 6570.00 4820.00 5560.00 5800.00 5440.00 482.3242_12.57 171000.00 158000.00 163000.00 136000.00 141000.00 140000.00 156.0094_12.58 476000.00 490000.00 507000.00 524000.00 488000.00 516000.00 1-linoleoylglycerol 24800.00 22900.00 23000.00 29100.00 22700.00 21300.00 21200.00 18300.00 34900.00 32100.00 27300.00 22800.00 1-arachidonoylglycerol 93100.00 77300.00 84100.00 52900.00 50100.00 50300.00 331.2245_12.71 32200.00 31900.00 35700.00 30600.00 34200.00 34100.00 584.2628_12.83 79800.00 83200.00 82200.00 82400.00 81200.00 84500.00 299.1393_12.83 54800.00 56100.00 60000.00 58300.00 56500.00 56500.00 585.2699_12.83 101000.00 100000.00 108000.00 97600.00 106000.00 101000.00 510.3916_12.84 87100.00 91700.00 96800.00 86900.00 86800.00 81600.00 Oleamide 70600.00 66700.00 70800.00 75000.00 69600.00 73500.00 76300.00 71200.00 75500.00 74200.00 74300.00 73400.00 523.3241_12.91 3470.00 2350.00 3090.00 152000.00 150000.00 151000.00 Butanoyl-PAF 8360.00 8230.00 7200.00 8210.00 7900.00 7740.00 125.9854_12.92 1410000.00 1400000.00 1330000.00 1440000.00 1410000.00 1410000.00 421.233_12.92 47400.00 50800.00 52700.00 50000.00 46500.00 47400.00 353.2652_12.93 94900.00 92800.00 83500.00 63900.00 63500.00 61300.00 286.2293_12.98 180000.00 188000.00 198000.00 214000.00 180000.00 197000.00 269.2265_12.98 102000.00 99700.00 99000.00 102000.00 97300.00 93500.00 145.0174_12.98 1270000.00 1250000.00 1220000.00 1290000.00 1280000.00 1250000.00 255.211_12.99 65700.00 71900.00 65400.00 65500.00 69800.00 71300.00 466.3293_13.07 77600.00 73200.00 78700.00 66300.00 68800.00 59500.00 PAF C-18 18100.00 19900.00 22600.00 16200.00 20500.00 17400.00 368.201_13.14 177000.00 183000.00 183000.00 190000.00 172000.00 182000.00 408.3072_13.45 63700.00 63500.00 61400.00 644000.00 647000.00 613000.00 226.18_13.45 12400.00 11800.00 9930.00 103000.00 102000.00 113000.00 266.1732_13.45 8320.00 8750.00 8720.00 73300.00 72800.00 72100.00 228.1963_13.45 93500.00 97800.00 100000.00 111000.00 101000.00 98600.00 226.1805_13.45 58100.00 54500.00 56100.00 57400.00 53400.00 53400.00 228.1962_13.46 22900.00 20500.00 19900.00 194000.00 193000.00 184000.00 408.3085_13.46 477000.00 479000.00 464000.00 471000.00 478000.00 470000.00 250.1782_13.46 140000.00 139000.00 130000.00 135000.00 147000.00 135000.00 250.1785_13.48 31200.00 32900.00 29500.00 189000.00 196000.00 189000.00 394.2167_13.53 631000.00 649000.00 651000.00 657000.00 615000.00 655000.00 335.1669_13.53 307000.00 327000.00 320000.00 331000.00 309000.00 339000.00 319.1947_13.53 241000.00 250000.00 257000.00 241000.00 260000.00 247000.00 337.1677_13.54 359000.00 377000.00 387000.00 367000.00 373000.00 384000.00 339.1637_13.54 118000.00 114000.00 125000.00 117000.00 118000.00 113000.00 376.1708_13.54 94900.00 93700.00 83900.00 97600.00 95200.00 92300.00 217.0189_13.54 2140000.00 2150000.00 2130000.00 2080000.00 2150000.00 2070000.00 561.412_13.57 139000.00 137000.00 142000.00 135000.00 136000.00 131000.00 491.3697_13.66 192000.00 189000.00 190000.00 188000.00 189000.00 177000.00 226.1803_13.78 5820.00 7510.00 7430.00 62800.00 61300.00 58200.00 250.1782_13.78 168000.00 163000.00 164000.00 156000.00 164000.00 148000.00 228.1963_13.78 109000.00 107000.00 111000.00 106000.00 104000.00 97500.00 266.1729_13.78 52400.00 54900.00 58100.00 53800.00 54000.00 50100.00 408.3062_13.79 48400.00 49700.00 50700.00 385000.00 394000.00 383000.00 250.1786_13.79 38800.00 35800.00 37000.00 186000.00 208000.00 197000.00 408.3082_13.79 315000.00 312000.00 314000.00 292000.00 290000.00 291000.00 228.196_13.8 21000.00 20600.00 20900.00 168000.00 157000.00 159000.00 266.173_13.8 11000.00 9440.00 11100.00 83100.00 86700.00 79700.00 310.3107_13.94 633000.00 634000.00 630000.00 570000.00 565000.00 566000.00 430.2744_13.95 465000.00 468000.00 478000.00 486000.00 464000.00 480000.00 411.2444_13.95 246000.00 246000.00 246000.00 253000.00 242000.00 251000.00 332.2925_13.95 103000.00 111000.00 107000.00 100000.00 102000.00 90700.00 563.4277_13.95 105000.00 104000.00 107000.00 103000.00 96800.00 96300.00 295.1948_13.95 65300.00 66800.00 61800.00 71500.00 72100.00 72400.00 395.2209_13.96 232000.00 234000.00 245000.00 234000.00 244000.00 235000.00 381.294_14.03 190000.00 190000.00 183000.00 140000.00 143000.00 115000.00 399.2529_14.08 190000.00 190000.00 188000.00 187000.00 174000.00 179000.00 396.2325_14.19 636000.00 640000.00 654000.00 665000.00 626000.00 678000.00 339.1836_14.19 108000.00 116000.00 116000.00 118000.00 117000.00 120000.00 603.4656_14.19 56500.00 57900.00 54300.00 54800.00 58400.00 54200.00 337.1823_14.19 113000.00 121000.00 120000.00 113000.00 112000.00 115000.00 Cholesterol sulfate 11200.00 14200.00 17500.00 9490.00 9700.00 10200.00 380.2097_14.2 212000.00 226000.00 235000.00 231000.00 226000.00 226000.00 321.2105_14.2 195000.00 200000.00 196000.00 202000.00 195000.00 190000.00 378.2085_14.2 87600.00 91900.00 96400.00 93200.00 91300.00 96900.00 389.0653_14.22 965000.00 963000.00 949000.00 947000.00 943000.00 935000.00 336.326_14.24 71000.00 67200.00 65700.00 61800.00 64500.00 60000.00 217.1053_14.27 3580000.00 3610000.00 3600000.00 3560000.00 3560000.00 3530000.00 617.4749_14.36 252000.00 257000.00 252000.00 244000.00 252000.00 238000.00 LacCer(d18:1/12:0) 577000.00 565000.00 551000.00 549000.00 539000.00 551000.00 415.2741_14.43 2180000.00 2190000.00 2150000.00 2140000.00 2130000.00 2160000.00 490.3899_14.44 2850000.00 2840000.00 2760000.00 2760000.00 2770000.00 2780000.00 429.2412_14.44 1240000.00 1220000.00 1200000.00 1180000.00 1170000.00 1200000.00 410.2584_14.44 207000.00 207000.00 208000.00 209000.00 206000.00 203000.00 413.2675_14.45 48900000.00 49100000.00 46100000.00 42000000.00 48300000.00 48600000.00 279.1598_14.45 1100000.00 1090000.00 1060000.00 1030000.00 1040000.00 1050000.00 614.3839_14.45 576000.00 599000.00 608000.00 583000.00 571000.00 568000.00 550.2593_14.45 645000.00 646000.00 637000.00 641000.00 614000.00 668000.00 532.2128_14.45 544000.00 554000.00 548000.00 548000.00 547000.00 547000.00 597.4084_14.45 79900.00 82500.00 87800.00 82800.00 84800.00 99200.00 391.2865_14.46 1230000.00 1310000.00 1250000.00 1260000.00 1320000.00 1190000.00 149.024_14.46 1010000.00 962000.00 987000.00 862000.00 926000.00 1020000.00 803.5436_14.46 180000.00 163000.00 163000.00 164000.00 160000.00 163000.00 429.2439_14.46 101000.00 103000.00 99400.00 99900.00 97500.00 105000.00 803.5446_14.46 18000000.00 17800000.00 17600000.00 17400000.00 17300000.00 17500000.00 392.2887_14.46 4080000.00 4080000.00 4020000.00 3860000.00 3860000.00 3910000.00 585.3142_14.46 1510000.00 1490000.00 1450000.00 1430000.00 1410000.00 1430000.00 149.0242_14.46 23600000.00 23800000.00 23500000.00 22700000.00 22600000.00 22600000.00 391.286_14.46 17800000.00 17600000.00 16600000.00 16200000.00 16600000.00 16200000.00 121.029_14.46 1590000.00 1620000.00 1610000.00 1530000.00 1540000.00 1550000.00 113.1328_14.46 895000.00 898000.00 887000.00 868000.00 865000.00 877000.00 167.0346_14.46 677000.00 684000.00 665000.00 649000.00 638000.00 651000.00 209.0817_14.46 657000.00 640000.00 638000.00 627000.00 619000.00 625000.00 139.0398_14.46 426000.00 422000.00 381000.00 383000.00 391000.00 400000.00 613.3848_14.46 131000.00 130000.00 137000.00 125000.00 122000.00 126000.00 57.0697_14.46 272000.00 256000.00 293000.00 279000.00 276000.00 266000.00 447.7692_14.46 128000.00 138000.00 134000.00 126000.00 123000.00 132000.00 438.746_14.46 129000.00 138000.00 131000.00 134000.00 127000.00 132000.00 191.0707_14.46 69300.00 66100.00 64300.00 62400.00 61600.00 64700.00 414.2703_14.46 15000000.00 15100000.00 14900000.00 14600000.00 14800000.00 14900000.00 SM(d18:1/12:0) 19000.00 24900.00 22900.00 21300.00 20600.00 22800.00 413.2671_14.47 9720000.00 9210000.00 7550000.00 8190000.00 10100000.00 9230000.00 490.3897_14.47 618000.00 586000.00 634000.00 656000.00 612000.00 581000.00 585.3151_14.47 65500.00 61400.00 64000.00 60900.00 62800.00 61300.00 71.0856_14.47 732000.00 740000.00 726000.00 701000.00 709000.00 698000.00 619.8872_14.47 113000.00 117000.00 119000.00 109000.00 117000.00 129000.00 620.3889_14.47 97900.00 101000.00 97700.00 103000.00 97000.00 107000.00 597.9095_14.47 78500.00 76700.00 82900.00 73100.00 73800.00 82900.00 100.1122_14.47 380000.00 381000.00 387000.00 366000.00 387000.00 383000.00 419.2445_14.47 145000.00 140000.00 145000.00 145000.00 144000.00 146000.00 605.3971_14.48 582000.00 579000.00 571000.00 550000.00 540000.00 537000.00 413.2675_14.48 48500000.00 48700000.00 48300000.00 47600000.00 47900000.00 42700000.00 393.2947_14.5 716000.00 684000.00 701000.00 672000.00 662000.00 661000.00 393.2972_14.58 323000.00 302000.00 334000.00 322000.00 300000.00 322000.00 319.2636_14.6 23900.00 23700.00 25800.00 22100.00 26400.00 24300.00 312.3267_14.72 66700.00 61900.00 61600.00 49500.00 53500.00 52900.00 619.4904_14.8 237000.00 230000.00 230000.00 222000.00 242000.00 221000.00 338.3424_14.84 9130000.00 9140000.00 9030000.00 7750000.00 8080000.00 7940000.00 321.3157_14.84 160000.00 163000.00 157000.00 134000.00 128000.00 131000.00 338.342_14.85 322000.00 303000.00 327000.00 1670000.00 1650000.00 1640000.00 360.3235_14.85 67900.00 67500.00 65400.00 328000.00 323000.00 322000.00 427.285_14.85 172000.00 167000.00 171000.00 170000.00 169000.00 173000.00 360.3242_14.85 1590000.00 1600000.00 1550000.00 1370000.00 1430000.00 1400000.00 675.6765_14.85 169000.00 181000.00 177000.00 139000.00 138000.00 136000.00 361.3275_14.85 365000.00 367000.00 364000.00 319000.00 332000.00 330000.00 458.3061_14.94 71500.00 71100.00 76900.00 75000.00 75600.00 70900.00 423.2542_14.95 54400.00 52800.00 57800.00 63600.00 54300.00 59700.00 PC(14:0/14:0) or PC(16:0/12:0) 8450.00 8080.00 9290.00 271.2634_15.11 80800.00 58000.00 84100.00 76700.00 78300.00 80900.00 441.2984_15.14 4380000.00 4390000.00 4320000.00 4390000.00 4450000.00 4400000.00 442.3015_15.14 1210000.00 1190000.00 1190000.00 1200000.00 1230000.00 1190000.00 441.2984_15.15 4370000.00 4390000.00 4330000.00 4400000.00 4430000.00 4370000.00 441.2984_15.16 6290000.00 6030000.00 5840000.00 5790000.00 5660000.00 5870000.00 419.3177_15.16 976000.00 1140000.00 1170000.00 1200000.00 1190000.00 1010000.00 675.5439_15.17 814000.00 825000.00 807000.00 704000.00 696000.00 695000.00 697.5255_15.18 182000.00 171000.00 155000.00 146000.00 129000.00 137000.00 518.4204_15.19 390000.00 402000.00 386000.00 380000.00 376000.00 356000.00 419.3172_15.21 792000.00 780000.00 778000.00 785000.00 786000.00 773000.00 518.4203_15.23 220000.00 223000.00 219000.00 221000.00 223000.00 219000.00 421.3144_15.29 342000.00 334000.00 347000.00 332000.00 344000.00 331000.00 ?-Tocotrienol 65000.00 89000.00 74100.00 81500.00 78600.00 68700.00 72600.00 70700.00 63500.00 61300.00 61300.00 62500.00 701.5598_15.36 1740000.00 1770000.00 1750000.00 1510000.00 1520000.00 1510000.00 723.5412_15.37 553000.00 554000.00 544000.00 447000.00 470000.00 464000.00 217.0188_15.37 3160000.00 3150000.00 3100000.00 3160000.00 3180000.00 3110000.00 433.3316_15.49 553000.00 647000.00 580000.00 617000.00 544000.00 598000.00 455.3143_15.5 2680000.00 2660000.00 2840000.00 2430000.00 2540000.00 2200000.00 455.3142_15.5 1600000.00 1630000.00 1600000.00 1650000.00 1620000.00 1640000.00 423.3255_15.51 694000.00 686000.00 702000.00 687000.00 719000.00 572000.00 433.3308_15.51 395000.00 399000.00 381000.00 419000.00 417000.00 356000.00 689.559_15.52 325000.00 328000.00 332000.00 256000.00 244000.00 255000.00 423.3261_15.52 394000.00 367000.00 369000.00 411000.00 357000.00 313000.00 711.5407_15.52 78700.00 89200.00 78700.00 64900.00 63000.00 63800.00 730.5369_15.66 96100.00 101000.00 94500.00 67200.00 71000.00 68200.00 499.2753_15.6853 235000.00 218000.00 227000.00 210000.00 218000.00 217000.00 499.2753_15.6897 129000.00 130000.00 125000.00 125000.00 130000.00 136000.00 429.3711_15.72 82700.00 77000.00 75100.00 59700.00 56800.00 56300.00 469.3329_15.76 265000.00 281000.00 247000.00 323000.00 337000.00 318000.00 SM(d18:1/18:1) 491000.00 494000.00 487000.00 379000.00 382000.00 390000.00 469.3312_15.81 550000.00 602000.00 530000.00 564000.00 568000.00 543000.00 703.5756_15.84 5270000.00 5330000.00 5350000.00 4150000.00 4080000.00 4230000.00 725.5575_15.84 2860000.00 2870000.00 2890000.00 2310000.00 2320000.00 2380000.00 371.2651_15.84 104000.00 111000.00 97700.00 98600.00 103000.00 102000.00 LacCer(d18:1/16:0) 12300.00 14700.00 12700.00 11900.00 12900.00 11000.00 450.3612_15.88 133000.00 134000.00 129000.00 130000.00 127000.00 128000.00 756.5517_15.88 390000.00 381000.00 394000.00 268000.00 261000.00 266000.00 778.5358_15.88 228000.00 225000.00 225000.00 146000.00 150000.00 145000.00 449.3566_15.89 1030000.00 1090000.00 1080000.00 1050000.00 1170000.00 1130000.00 449.3573_15.91 358000.00 366000.00 364000.00 402000.00 396000.00 399000.00 802.5337_15.91 211000.00 200000.00 204000.00 138000.00 136000.00 133000.00 Cholesterol 8690.00 7140.00 7560.00 7660.00 6340.00 6530.00 553.3905_15.97 104000.00 90800.00 91000.00 98700.00 101000.00 99600.00 804.549_15.98 427000.00 401000.00 409000.00 270000.00 281000.00 264000.00 828.5507_15.98 121000.00 116000.00 122000.00 81500.00 68900.00 80100.00 782.5682_15.99 563000.00 558000.00 541000.00 405000.00 390000.00 378000.00 425.3614_16 375000.00 371000.00 410000.00 391000.00 352000.00 350000.00 799.1044_16 217000.00 218000.00 223000.00 248000.00 258000.00 249000.00 447.3451_16.01 3320000.00 3300000.00 3290000.00 3230000.00 3280000.00 3140000.00 524.4668_16.01 249000.00 244000.00 232000.00 234000.00 238000.00 219000.00 437.3419_16.01 470000.00 427000.00 469000.00 479000.00 491000.00 458000.00 729.5906_16.02 452000.00 459000.00 448000.00 340000.00 349000.00 352000.00 751.5723_16.03 271000.00 275000.00 272000.00 211000.00 214000.00 210000.00 414.2699_16.03 160000.00 158000.00 158000.00 168000.00 170000.00 169000.00 754.5358_16.06 160000.00 164000.00 157000.00 100000.00 91000.00 84900.00 732.5544_16.07 229000.00 229000.00 223000.00 158000.00 143000.00 142000.00 727.5697_16.07 91700.00 89700.00 82700.00 62200.00 58700.00 57500.00 717.5908_16.15 807000.00 811000.00 808000.00 582000.00 585000.00 579000.00 739.5729_16.15 432000.00 439000.00 430000.00 346000.00 394000.00 344000.00 521.3895_16.16 60300.00 64300.00 70500.00 20600.00 18400.00 17700.00 807.5676_16.17 274000.00 271000.00 262000.00 178000.00 190000.00 186000.00 828.5515_16.18 531000.00 408000.00 387000.00 338000.00 332000.00 336000.00 PE(16:0/18:2) 6890.00 6590.00 9540.00 7520.00 7160.00 5880.00 758.5702_16.24 6390000.00 6270000.00 6200000.00 4760000.00 4730000.00 4680000.00 1171.8328_16.24 56200.00 60400.00 52200.00 46100.00 49800.00 46900.00 782.5684_16.25 3020000.00 2920000.00 2910000.00 2350000.00 2330000.00 2280000.00 952.5981_16.25 121000.00 121000.00 113000.00 89200.00 89000.00 93000.00 780.5522_16.26 3620000.00 3580000.00 3540000.00 3220000.00 3270000.00 3270000.00 804.5519_16.26 1600000.00 1600000.00 1580000.00 1450000.00 1470000.00 1480000.00 PC(18:0/14:0) or PC(16:0/16:0) 84300.00 84500.00 77300.00 56800.00 52500.00 51500.00 781.0546_16.27 131000.00 121000.00 133000.00 108000.00 107000.00 117000.00 792.5549_16.29 107000.00 110000.00 117000.00 106000.00 105000.00 99500.00 Docosahexaenoyl PAF C-16 247000.00 265000.00 251000.00 208000.00 216000.00 213000.00 Eicosapentaenoyl PAF C-16 17300.00 19900.00 19000.00 20000.00 19500.00 20900.00 451.3569_16.34 446000.00 426000.00 431000.00 444000.00 450000.00 423000.00 830.5662_16.37 507000.00 494000.00 507000.00 405000.00 384000.00 410000.00 784.5821_16.43 2570000.00 2520000.00 2530000.00 1720000.00 1690000.00 1710000.00 806.5669_16.43 1860000.00 1820000.00 1830000.00 1850000.00 1830000.00 1470000.00 SM(d18:1/18:0) 294000.00 298000.00 298000.00 217000.00 219000.00 225000.00 731.6061_16.45 250000.00 254000.00 246000.00 173000.00 178000.00 180000.00 753.5879_16.46 159000.00 159000.00 168000.00 125000.00 134000.00 138000.00 Thioetheramide-PC 37800.00 37400.00 39600.00 17000.00 22900.00 20900.00 772.5842_16.51 72000.00 73400.00 74800.00 47800.00 45600.00 46000.00 788.5567_16.52 252000.00 254000.00 264000.00 216000.00 208000.00 213000.00 766.5732_16.53 396000.00 396000.00 399000.00 309000.00 299000.00 309000.00 742.5739_16.54 168000.00 163000.00 169000.00 120000.00 113000.00 116000.00 764.5567_16.54 124000.00 131000.00 126000.00 101000.00 96500.00 104000.00 ArachidonoylPAF-C16 497000.00 495000.00 475000.00 358000.00 364000.00 371000.00 768.5898_16.59 499000.00 494000.00 472000.00 346000.00 346000.00 351000.00 790.5721_16.59 349000.00 355000.00 350000.00 298000.00 312000.00 299000.00 760.5849_16.6 2230000.00 2220000.00 2160000.00 1360000.00 1340000.00 1350000.00 782.5682_16.6 1930000.00 1930000.00 1840000.00 1340000.00 1340000.00 1350000.00 744.5894_16.6 129000.00 125000.00 120000.00 81800.00 78400.00 81500.00 757.6212_16.6 72000.00 78200.00 73800.00 51600.00 55300.00 54200.00 850.5514_16.6 74900.00 79200.00 74800.00 73400.00 73100.00 77700.00 465.3716_16.61 360000.00 354000.00 363000.00 364000.00 354000.00 350000.00 867.5436_16.61 94800.00 93300.00 91500.00 101000.00 106000.00 110000.00 792.5866_16.63 221000.00 220000.00 221000.00 169000.00 173000.00 173000.00 PC(16:0/18:1) 2230000.00 2240000.00 2180000.00 1390000.00 1360000.00 1350000.00 794.6043_16.67 381000.00 483000.00 488000.00 253000.00 252000.00 310000.00 816.5873_16.67 305000.00 297000.00 241000.00 229000.00 223000.00 239000.00 770.6025_16.68 123000.00 123000.00 124000.00 89400.00 87800.00 88800.00 536.1651_16.68 8410.00 4500.00 8130.00 7950.00 48500.00 99300.00 856.5821_16.71 84300.00 79200.00 82100.00 48500.00 47000.00 47000.00 835.5998_16.72 65900.00 61600.00 57500.00 36000.00 35300.00 35600.00 PC(18:1/18:1) 2240000.00 2190000.00 2170000.00 1280000.00 1240000.00 1260000.00 832.5815_16.77 1120000.00 1100000.00 1080000.00 742000.00 721000.00 737000.00 786.6001_16.78 2240000.00 2180000.00 2150000.00 1270000.00 1240000.00 1290000.00 808.583_16.78 1910000.00 1890000.00 1850000.00 1250000.00 1240000.00 1230000.00 820.5942_16.78 65600.00 61500.00 59800.00 42500.00 40000.00 40200.00 809.0848_16.78 55900.00 59300.00 56600.00 35000.00 36100.00 36500.00 893.5594_16.81 94800.00 101000.00 95700.00 103000.00 106000.00 103000.00 812.6136_16.92 271000.00 262000.00 260000.00 224000.00 123000.00 129000.00 834.5977_16.94 498000.00 490000.00 486000.00 128000.00 263000.00 127000.00 810.5985_17.08 153000.00 149000.00 151000.00 77300.00 76200.00 75200.00 796.6201_17.08 53800.00 55100.00 60600.00 33900.00 34800.00 33000.00 788.6157_17.09 118000.00 122000.00 114000.00 62800.00 59400.00 65000.00 785.6525_17.1 120000.00 127000.00 126000.00 74000.00 55800.00 55600.00 807.6343_17.1 120000.00 117000.00 124000.00 78100.00 56900.00 56100.00 559.5168_17.11 582000.00 571000.00 606000.00 521000.00 541000.00 531000.00 559.517_17.11 678000.00 669000.00 671000.00 575000.00 604000.00 630000.00 537.535_17.11 183000.00 181000.00 177000.00 139000.00 132000.00 140000.00 537.535_17.12 100000.00 82100.00 96400.00 90700.00 89400.00 91500.00 833.6503_17.12 193000.00 189000.00 195000.00 106000.00 99600.00 106000.00 811.6671_17.13 209000.00 209000.00 213000.00 114000.00 103000.00 115000.00 537.3958_17.28 3640000.00 3320000.00 3590000.00 3170000.00 3240000.00 3370000.00 515.4153_17.28 243000.00 239000.00 239000.00 240000.00 247000.00 235000.00 614.5175_17.28 174000.00 154000.00 180000.00 156000.00 150000.00 158000.00 532.4389_17.28 185000.00 185000.00 199000.00 183000.00 167000.00 179000.00 614.5174_17.28 133000.00 129000.00 135000.00 143000.00 133000.00 138000.00 537.3958_17.29 2840000.00 3100000.00 2970000.00 2830000.00 3030000.00 2860000.00 515.4153_17.29 216000.00 206000.00 222000.00 222000.00 224000.00 218000.00 532.439_17.29 143000.00 152000.00 149000.00 156000.00 144000.00 144000.00 Cer(d18:1/18:0) 3150000.00 2810000.00 2910000.00 2780000.00 3010000.00 2820000.00 2310000.00 2300000.00 2370000.00 2440000.00 2370000.00 2410000.00 685.437_17.42 352000.00 357000.00 365000.00 376000.00 380000.00 372000.00 762.5589_17.42 226000.00 220000.00 229000.00 236000.00 235000.00 234000.00 857.4826_17.42 193000.00 197000.00 210000.00 215000.00 212000.00 219000.00 663.4555_17.42 129000.00 123000.00 144000.00 140000.00 150000.00 142000.00 762.5587_17.42 54000.00 53700.00 52000.00 48000.00 47900.00 49700.00 685.4373_17.43 105000.00 107000.00 108000.00 101000.00 106000.00 101000.00 857.4827_17.43 54900.00 47800.00 53000.00 50300.00 46500.00 46100.00 835.666_17.45 106000.00 104000.00 107000.00 70800.00 52000.00 72900.00 813.6839_17.45 108000.00 107000.00 106000.00 52900.00 75200.00 70200.00 587.548_17.56 575000.00 552000.00 577000.00 527000.00 523000.00 522000.00 565.5664_17.56 105000.00 108000.00 113000.00 97000.00 101000.00 105000.00 587.5483_17.56 686000.00 662000.00 688000.00 622000.00 633000.00 636000.00 565.5665_17.56 172000.00 168000.00 157000.00 149000.00 145000.00 152000.00 117.9656_17.69 230000.00 213000.00 202000.00 219000.00 218000.00 213000.00 SM(d18:1/24:0) 21600.00 17500.00 19400.00 12700.00 17700.00 15600.00 615.578_17.93 112000.00 112000.00 108000.00 89900.00 90500.00 98300.00 615.5788_17.94 133000.00 133000.00 136000.00 116000.00 125000.00 123000.00 117.9655_17.95 479000.00 474000.00 461000.00 467000.00 485000.00 485000.00 661.5383_18.31 92600.00 89500.00 100000.00 85600.00 81700.00 87400.00 393.0362_18.52 1640000.00 1730000.00 1610000.00 1760000.00 1740000.00 1700000.00 411.0472_18.52 7540000.00 7440000.00 7480000.00 7370000.00 7300000.00 7110000.00 411.0471_18.53 9100000.00 9050000.00 8990000.00 9080000.00 8980000.00 8780000.00 605.0757_18.53 1770000.00 1960000.00 1960000.00 1770000.00 2000000.00 1970000.00 393.0361_18.54 1860000.00 1790000.00 1850000.00 1860000.00 1740000.00 1770000.00 605.0757_18.54 1830000.00 1730000.00 1780000.00 1830000.00 1800000.00 1770000.00 393.0362_18.542 1690000.00 1600000.00 1680000.00 1690000.00 1680000.00 1630000.00 393.0362_18.543 1750000.00 1720000.00 1730000.00 1750000.00 1740000.00 1630000.00 605.0757_18.55 2000000.00 1960000.00 1960000.00 2040000.00 2000000.00 1980000.00 411.0471_18.5503 9110000.00 8990000.00 9040000.00 9070000.00 8910000.00 8670000.00 411.0471_18.5518 9020000.00 8970000.00 8960000.00 8990000.00 8900000.00 8690000.00 689.5693_18.56 62500.00 56700.00 60200.00 54400.00 50800.00 55100.00 411.0471_18.57 9050000.00 9020000.00 9000000.00 9030000.00 8950000.00 8750000.00 393.0361_18.58 1810000.00 1820000.00 1820000.00 1830000.00 1800000.00 1790000.00 393.0361_18.5875a 1780000.00 1790000.00 1780000.00 1790000.00 1770000.00 1750000.00 393.0361_18.5875b 1840000.00 1850000.00 1840000.00 1840000.00 1820000.00 1810000.00 393.0361_18.5882 1810000.00 1820000.00 1820000.00 1820000.00 1800000.00 1780000.00 411.0472_18.59 8900000.00 8780000.00 8220000.00 8960000.00 8900000.00 8090000.00 605.0757_18.6 2000000.00 1960000.00 1720000.00 2030000.00 2000000.00 1780000.00 800.1077_18.6057 1130000.00 1140000.00 1140000.00 1130000.00 1120000.00 1090000.00 800.1077_18.6086 1150000.00 1160000.00 1150000.00 1140000.00 1130000.00 1100000.00 799.1048_18.61 5710000.00 5640000.00 5670000.00 5700000.00 5610000.00 5470000.00 393.0362_18.61 1730000.00 1710000.00 1720000.00 1630000.00 1720000.00 1670000.00 800.1077_18.613 1140000.00 1150000.00 1140000.00 1140000.00 1120000.00 1100000.00 800.1077_18.62 1150000.00 1160000.00 1160000.00 1150000.00 1130000.00 1110000.00 605.0757_18.63 1740000.00 1700000.00 1740000.00 1770000.00 1750000.00 1700000.00 799.1048_18.6382 5110000.00 5030000.00 5330000.00 5390000.00 5070000.00 5310000.00 605.0757_18.64 1770000.00 1810000.00 1830000.00 1850000.00 1760000.00 1620000.00 799.1048_18.644 5310000.00 5240000.00 5250000.00 5310000.00 5320000.00 5230000.00 605.0757_18.65 1740000.00 1740000.00 1750000.00 1770000.00 1750000.00 1700000.00 800.1076_18.65 1110000.00 1080000.00 1080000.00 1080000.00 1060000.00 1040000.00 799.1048_18.66 5380000.00 5310000.00 5040000.00 5080000.00 5390000.00 5010000.00 799.1048_18.67 5710000.00 5650000.00 5670000.00 5700000.00 5570000.00 5440000.00 800.1077_18.67 1130000.00 1080000.00 1100000.00 1100000.00 1080000.00 1050000.00 453.0938_18.68 3460000.00 3320000.00 3380000.00 3280000.00 3310000.00 3230000.00 799.1048_18.68 5690000.00 5640000.00 5650000.00 5680000.00 5590000.00 5440000.00 453.0938_18.6897 2750000.00 2710000.00 2690000.00 2760000.00 2740000.00 2680000.00 453.0938_18.6917 3420000.00 3350000.00 3370000.00 3200000.00 3270000.00 3250000.00 453.0938_18.6965 2790000.00 2690000.00 2740000.00 2800000.00 2790000.00 2630000.00 453.0938_18.6994 2830000.00 2800000.00 2680000.00 2730000.00 2690000.00 2770000.00 117.9654_18.71 95900.00 85600.00 95900.00 87000.00 95300.00 85100.00 134.9786_18.93 6630000.00 6540000.00 6600000.00 6610000.00 6670000.00 6580000.00 372.0578_19.279 3650000.00 3640000.00 3670000.00 3680000.00 3670000.00 3640000.00 372.0578_19.2797 3340000.00 3340000.00 3360000.00 3370000.00 3360000.00 3330000.00 371.0549_19.3 26900000.00 27100000.00 27600000.00 27500000.00 27700000.00 27400000.00 371.0549_19.31 27700000.00 28400000.00 28400000.00 29600000.00 29700000.00 26700000.00 371.055_19.31 28400000.00 28800000.00 28900000.00 28600000.00 29900000.00 27400000.00 565.0834_19.31 5960000.00 5890000.00 5380000.00 5880000.00 5590000.00 5520000.00 108.9263_19.31 1160000.00 1130000.00 1140000.00 1130000.00 1110000.00 1130000.00 372.0579_19.31 3650000.00 3600000.00 3610000.00 3640000.00 3560000.00 3530000.00 565.0834_19.32 5340000.00 5100000.00 5520000.00 5680000.00 5410000.00 5510000.00 447.1067_19.33 1500000.00 1340000.00 1310000.00 1460000.00 1360000.00 1290000.00 447.1067_19.3598 1710000.00 1700000.00 1690000.00 1680000.00 1650000.00 1640000.00 447.1067_19.3642 1740000.00 1720000.00 1510000.00 1520000.00 1550000.00 1480000.00 117.9652_19.48 199000.00 204000.00 190000.00 208000.00 197000.00 184000.00 98.984_19.52 1530000.00 1540000.00 1540000.00 1490000.00 1500000.00 1460000.00 98.984_19.55 1430000.00 1440000.00 1430000.00 1400000.00 1410000.00 1360000.00 413.1011_19.59 1100000.00 1080000.00 1080000.00 1090000.00 1070000.00 1060000.00 431.1123_19.6076 16900000.00 16600000.00 16800000.00 16600000.00 16300000.00 16100000.00 431.1123_19.6098 16800000.00 16600000.00 16700000.00 16500000.00 16200000.00 16000000.00 413.1011_19.61 1130000.00 1110000.00 1100000.00 1100000.00 1100000.00 1050000.00 432.1153_19.65 2080000.00 2020000.00 1990000.00 2010000.00 2010000.00 1950000.00 431.1123_19.67 16800000.00 16700000.00 16800000.00 16600000.00 16300000.00 16100000.00 431.1123_19.6884 15500000.00 15300000.00 15100000.00 15300000.00 15000000.00 15000000.00 432.1153_19.69 2300000.00 2250000.00 2260000.00 2230000.00 2210000.00 2190000.00 431.1123_19.6903 15500000.00 15300000.00 15100000.00 15300000.00 15000000.00 15000000.00 432.1153_19.7 2220000.00 2170000.00 2170000.00 2140000.00 2120000.00 2110000.00 431.1123_19.7 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874000.00 966000.00 1020000.00 153.0078_21.29 546000.00 494000.00 508000.00 551000.00 538000.00 557000.00 112.968_21.29 280000.00 281000.00 258000.00 284000.00 289000.00 293000.00 96.9616_21.29 2660000.00 2650000.00 2020000.00 3070000.00 2640000.00 2940000.00 360.991_21.29 1230000.00 1250000.00 1280000.00 1280000.00 1210000.00 1180000.00 139.0074_21.29 277000.00 251000.00 266000.00 249000.00 273000.00 271000.00 153.0077_21.29 419000.00 490000.00 436000.00 491000.00 427000.00 415000.00 235.9776_21.29 276000.00 269000.00 269000.00 266000.00 267000.00 260000.00 408.7879_21.3 650000.00 687000.00 639000.00 628000.00 699000.00 707000.00 513.8411_21.3 361000.00 397000.00 336000.00 351000.00 371000.00 416000.00 220.0401_21.3 4500000.00 4480000.00 5470000.00 4430000.00 4010000.00 4420000.00 319.964_21.3 759000.00 736000.00 743000.00 748000.00 736000.00 728000.00 124.9665_21.3 495000.00 723000.00 734000.00 718000.00 661000.00 720000.00 160.9902_21.31 2190000.00 2190000.00 2000000.00 1940000.00 1960000.00 1910000.00 135.9458_21.31 844000.00 998000.00 891000.00 943000.00 802000.00 732000.00 205.0165_21.31 877000.00 749000.00 872000.00 746000.00 758000.00 731000.00 218.0444_21.31 201000.00 197000.00 199000.00 197000.00 191000.00 188000.00 160.9903_21.31 1730000.00 1490000.00 1750000.00 1680000.00 1650000.00 1640000.00 513.8425_21.31 245000.00 233000.00 252000.00 248000.00 227000.00 235000.00 74.9529_21.32 354000.00 355000.00 347000.00 349000.00 322000.00 328000.00 235.9776_21.32 312000.00 314000.00 304000.00 299000.00 320000.00 308000.00 408.7879_21.32 489000.00 499000.00 496000.00 487000.00 453000.00 465000.00 201.0093_21.3214 6620000.00 5640000.00 6270000.00 6990000.00 5890000.00 6430000.00 201.0093_21.3242 8920000.00 7300000.00 8810000.00 7140000.00 7550000.00 7160000.00 177.9931_21.33 1030000.00 897000.00 895000.00 830000.00 759000.00 948000.00 55.9343_21.33 388000.00 395000.00 351000.00 384000.00 398000.00 404000.00 205.0165_21.33 842000.00 659000.00 700000.00 841000.00 738000.00 746000.00 118.943_21.34 1210000.00 1160000.00 1060000.00 1130000.00 1230000.00 1350000.00 201.0093_21.34 7170000.00 7280000.00 7060000.00 6840000.00 6720000.00 6910000.00 100.9326_21.34 980000.00 980000.00 957000.00 949000.00 992000.00 1000000.00 135.9458_21.34 865000.00 833000.00 887000.00 719000.00 792000.00 802000.00 177.9931_21.34 908000.00 880000.00 817000.00 958000.00 856000.00 837000.00 235.9776_21.35 305000.00 311000.00 302000.00 299000.00 310000.00 305000.00 118.943_21.35 1010000.00 1010000.00 1080000.00 1140000.00 1020000.00 980000.00 100.9326_21.35 760000.00 842000.00 972000.00 837000.00 918000.00 907000.00 55.9343_21.35 346000.00 324000.00 335000.00 335000.00 333000.00 321000.00 100.9326_21.36 1110000.00 1010000.00 995000.00 1070000.00 951000.00 1090000.00 287.8894_21.36 1100000.00 1210000.00 971000.00 1070000.00 1330000.00 1220000.00 74.9528_21.36 300000.00 301000.00 295000.00 288000.00 299000.00 291000.00 139.9639_21.38 4270000.00 4210000.00 4280000.00 3680000.00 4130000.00 4170000.00 185.9856_21.3865 5450000.00 5140000.00 5150000.00 5040000.00 4670000.00 5370000.00 183.9893_21.39 399000.00 390000.00 391000.00 384000.00 386000.00 388000.00 185.9856_21.3943 5250000.00 5180000.00 5210000.00 5260000.00 5130000.00 5130000.00 185.9856_21.4 4930000.00 4890000.00 4910000.00 4950000.00 4840000.00 4890000.00 141.9592_21.41 91300000.00 99100000.00 93800000.00 90000000.00 114000000.00 106000000.00 139.9639_21.4182 5620000.00 5680000.00 4970000.00 5530000.00 5820000.00 5230000.00 141.9592_21.42 92600000.00 81800000.00 94000000.00 85900000.00 83200000.00 81700000.00 182.9858_21.42 5060000.00 5530000.00 6140000.00 4930000.00 5950000.00 5280000.00 142.9622_21.42 4230000.00 4130000.00 4240000.00 4130000.00 4100000.00 4100000.00 139.9639_21.4244 4150000.00 4100000.00 4160000.00 4040000.00 4030000.00 4050000.00 185.9856_21.43 5780000.00 6040000.00 6150000.00 5510000.00 5870000.00 5800000.00 139.9639_21.43 4790000.00 4840000.00 4750000.00 4680000.00 4900000.00 4940000.00 287.8893_21.43 786000.00 823000.00 786000.00 702000.00 809000.00 798000.00 142.9622_21.44 4870000.00 4930000.00 4790000.00 4750000.00 4970000.00 5030000.00 182.9858_21.44 5490000.00 5320000.00 5360000.00 5280000.00 4940000.00 5260000.00 287.8893_21.45 822000.00 815000.00 863000.00 794000.00 685000.00 793000.00 193.9308_21.46 2050000.00 1940000.00 1930000.00 2100000.00 1970000.00 2140000.00 182.9858_21.46 6920000.00 7780000.00 7130000.00 5750000.00 7500000.00 6870000.00 193.9308_21.48 1890000.00 1680000.00 2020000.00 1820000.00 1780000.00 1720000.00 182.9858_21.51 9110000.00 6830000.00 9030000.00 8690000.00 8980000.00 8990000.00 73.945_21.51 997000.00 983000.00 1010000.00 996000.00 962000.00 990000.00 73.945_21.52 1180000.00 1330000.00 1280000.00 1260000.00 1090000.00 1350000.00 97.9692_21.52 27600000.00 27900000.00 26600000.00 26500000.00 29600000.00 29800000.00 73.945_21.5254 1040000.00 1020000.00 1060000.00 1040000.00 1000000.00 1030000.00 97.9692_21.53 23800000.00 25200000.00 26000000.00 23300000.00 23700000.00 24800000.00 72.9372_21.53 2980000.00 2810000.00 3090000.00 2970000.00 2620000.00 2940000.00 73.945_21.5342 965000.00 956000.00 977000.00 965000.00 931000.00 958000.00 105.9351_21.54 516000.00 508000.00 437000.00 512000.00 495000.00 500000.00 95.9736_21.55 1430000.00 1410000.00 1410000.00 1420000.00 1540000.00 1550000.00 97.9692_21.55 24600000.00 24700000.00 25500000.00 24200000.00 24500000.00 22800000.00 318.9439_21.57 692000.00 713000.00 639000.00 720000.00 762000.00 791000.00 246.8629_21.57 1060000.00 1110000.00 1060000.00 1040000.00 1240000.00 1230000.00 95.9736_21.57 1250000.00 1260000.00 1290000.00 1220000.00 1230000.00 1220000.00 97.9692_21.58 26600000.00 30700000.00 29900000.00 30200000.00 32800000.00 32200000.00 72.9372_21.59 2840000.00 2880000.00 2820000.00 2820000.00 3010000.00 3070000.00 318.944_21.59 693000.00 710000.00 673000.00 653000.00 713000.00 722000.00 246.863_21.59 758000.00 758000.00 772000.00 731000.00 752000.00 726000.00 318.9438_21.59 542000.00 534000.00 549000.00 531000.00 496000.00 514000.00 95.9736_21.6 1410000.00 1290000.00 1450000.00 1390000.00 1260000.00 1390000.00 318.9438_21.6 535000.00 530000.00 549000.00 526000.00 509000.00 511000.00 95.9736_21.61 1520000.00 1540000.00 1510000.00 1510000.00 1630000.00 1650000.00 246.863_21.62 1060000.00 1040000.00 945000.00 1040000.00 1240000.00 1110000.00 246.863_21.6266 997000.00 1040000.00 992000.00 976000.00 1170000.00 1160000.00 246.863_21.6294 763000.00 787000.00 842000.00 616000.00 744000.00 723000.00 95.9736_21.63 1460000.00 1510000.00 1360000.00 1490000.00 1430000.00 1620000.00 105.9351_21.64 960000.00 1000000.00 851000.00 948000.00 961000.00 983000.00 72.9372_21.64 2990000.00 3000000.00 3090000.00 2610000.00 2980000.00 2840000.00 72.9372_21.67 2560000.00 3310000.00 2770000.00 2810000.00 3490000.00 3250000.00 159.9705_21.67 1630000.00 1660000.00 1660000.00 1670000.00 1760000.00 1780000.00 105.9351_21.68 822000.00 809000.00 785000.00 768000.00 777000.00 790000.00 113.9642_21.69 19800000.00 19300000.00 20200000.00 17700000.00 19500000.00 19400000.00 113.9642_21.7 16700000.00 17400000.00 20200000.00 19200000.00 19500000.00 17500000.00 113.9643_21.7264a 20200000.00 17700000.00 18800000.00 20400000.00 20700000.00 21600000.00 113.9643_21.7264b 20400000.00 20600000.00 20200000.00 20100000.00 21300000.00 21300000.00 195.037_22.24 6220000.00 6180000.00 6240000.00 5900000.00 6100000.00 6090000.00 MS_METABOLITE_DATA_END #METABOLITES METABOLITES_START metabolite_name retention index quantified m/z PubChem ID KEGG ID Adduct type 102.0132_0.3 0.3 102.0132 M+H Spermidine 0.5 146.1652 M+H 110.0088_0.54 0.54 110.0088 M+H 110.0089_0.54 0.54 110.0089 M+H 84.9598_0.54 0.54 84.9598 M+H 125.9865_0.54 0.54 125.9865 M+H 170.0931_0.55 0.55 170.0931 M+H 156.0772_0.55 0.55 156.0772 M+H 159.0683_0.55 0.55 159.0683 M+H 175.1193_0.55 0.55 175.1193 M+H 189.1603_0.56 0.56 189.1603 M+H 159.0686_0.56 0.56 159.0686 M+H 381.0258_0.57 0.57 381.0258 M+H 104.1074_0.58 0.58 104.1074 M+H 203.1492_0.58 0.58 203.1492 M+H 136.0488_0.59 0.59 136.0488 M+H 152.0228_0.59 0.59 152.0228 M+H 139.0645_0.59 0.59 139.0645 M+H 155.0417_0.59 0.59 155.0417 M+H 104.1072_0.59 0.59 104.1072 M+H 280.0927_0.59 0.59 280.0927 M+H 296.0665_0.59 0.59 296.0665 M+H 221.0213_0.59 0.59 221.0213 M+H 117.0854_0.6 0.6 117.0854 M+H 115.0696_0.6 0.6 115.0696 M+H 80.9478_0.6 0.6 80.9478 M+H 96.9219_0.6 0.6 96.9219 M+H 140.0687_0.6 0.6 140.0687 M+H 112.8957_0.6 0.6 112.8957 M+H 338.0537_0.61 0.61 338.0537 M+H 191.0407_0.61 0.61 191.0407 M+H 403.008_0.61 0.61 403.008 M+H 162.1129_0.62 0.62 162.1129 M+H 114.0665_0.62 0.62 114.0665 M+H 196.8663_0.62 0.62 196.8663 M+H 198.8626_0.62 0.62 198.8626 M+H 372.7388_0.62 0.62 372.7388 M+H 432.6943_0.62 0.62 432.6943 M+H 374.7361_0.62 0.62 374.7361 M+H 160.1335_0.62 0.62 160.1335 M+H 359.044_0.62 0.62 359.044 M+H 219.0272_0.62 0.62 219.0272 M+H 365.1051_0.63 0.63 365.1051 M+H 203.0532_0.63 0.63 203.0532 M+H 118.0866_0.63 0.63 118.0866 M+H 144.1023_0.63 0.63 144.1023 M+H 132.0769_0.63 0.63 132.0769 M+H 156.0426_0.63 0.63 156.0426 M+H 383.1161_0.63 0.63 383.1161 M+H 338.0593_0.63 0.63 338.0593 M+H 438.9844_0.63 0.63 438.9844 M+H 383.1145_0.64 0.64 383.1145 M+H 293.0986_0.64 0.64 293.0986 M+H 316.0843_0.64 0.64 316.0843 M+H 315.0806_0.64 0.64 315.0806 M+H 136.0484_0.6484 0.6484 136.0484 M+H 258.1107_0.65 0.65 258.1107 M+H 139.0672_0.65 0.65 139.0672 M+H 73.0779_0.65 0.65 73.0779 M+H 155.0413_0.65 0.65 155.0413 M+H 136.0484_0.6523 0.6523 136.0484 M+H 163.0477_0.66 0.66 163.0477 M+H 417.0026_0.66 0.66 417.0026 M+H 229.1552_0.67 0.67 229.1552 M+H 353.0351_0.67 0.67 353.0351 M+H 454.9575_0.68 0.68 454.9575 M+H 338.9208_0.68 0.68 338.9208 M+H 366.0583_0.69 0.69 366.0583 M+H 446.1772_0.69 0.69 446.1772 M+H 166.0845_0.69 0.69 166.0845 M+H 206.8944_0.69 0.69 206.8944 M+H 375.0176_0.69 0.69 375.0176 M+H 258.9805_0.69 0.69 258.9805 M+H 252.9726_0.69 0.69 252.9726 M+H 426.2106_0.7 0.7 426.2106 M+H 216.9232_0.7 0.7 216.9232 M+H 215.0167_0.7 0.7 215.0167 M+H 236.9985_0.7 0.7 236.9985 M+H 331.0528_0.7 0.7 331.0528 M+H 164.9293_0.7 0.7 164.9293 M+H 316.9388_0.7 0.7 316.9388 M+H 441.1614_0.71 0.71 441.1614 M+H 274.9544_0.71 0.71 274.9544 M+H 393.2099_0.73 0.73 393.2099 M+H 184.0946_0.73 0.73 184.0946 M+H 377.1421_0.74 0.74 377.1421 M+H 407.1887_0.74 0.74 407.1887 M+H 337.0623_0.74 0.74 337.0623 M+H 337.0622_0.74 0.74 337.0622 M+H 319.1306_0.75 0.75 319.1306 M+H 202.1197_0.76 0.76 202.1197 M+H 135.0031_0.76 0.76 135.0031 M+H 169.0371_0.77 0.77 169.0371 M+H 192.0982_0.78 0.78 192.0982 M+H 210.1296_0.78 0.78 210.1296 M+H 172.1341_0.78 0.78 172.1341 M+H 160.9652_0.78 0.78 160.9652 M+H 193.1021_0.78 0.78 193.1021 M+H 236.0727_0.84 0.84 236.0727 M+H 315.0798_0.84 0.84 315.0798 M+H 216.0198_0.84 0.84 216.0198 M+H 147.0765_0.85 0.85 147.0765 M+H 214.0908_0.86 0.86 214.0908 M+H 258.1106_0.86 0.86 258.1106 M+H 160.0615_0.86 0.86 160.0615 M+H 130.0503_0.86 0.86 130.0503 M+H 192.109_0.87 0.87 192.109 M+H 145.1006_0.87 0.87 145.1006 M+H 174.0852_0.87 0.87 174.0852 M+H 182.0813_0.87 0.87 182.0813 M+H 130.067_0.87 0.87 130.067 M+H 156.0761_0.87 0.87 156.0761 M+H 127.0765_0.87 0.87 127.0765 M+H 136.0757_0.87 0.87 136.0757 M+H 215.0166_0.87 0.87 215.0166 M+H 189.0876_0.87 0.87 189.0876 M+H 235.0923_0.88 0.88 235.0923 M+H 174.1242_0.92 0.92 174.1242 M+H 131.93_0.92 0.92 131.93 M+H 346.0091_0.92 0.92 346.0091 M+H 182.986_0.93 0.93 182.986 M+H 170.0925_0.94 0.94 170.0925 M+H 231.084_0.94 0.94 231.084 M+H 132.102_0.95 0.95 132.102 M+H 86.0966_0.95 0.95 86.0966 M+H 158.0037_0.96 0.96 158.0037 M+H 113.9644_0.96 0.96 113.9644 M+H 199.9987_0.99 0.99 199.9987 M+H 167.0577_1.01 1.01 167.0577 M+H 129.0557_1.01 1.01 129.0557 M+H 176.1148_1.02 1.02 176.1148 M+H 129.1054_1.02 1.02 129.1054 M+H 166.0875_1.02 1.02 166.0875 M+H 120.0816_1.02 1.02 120.0816 M+H 181.0737_1.02 1.02 181.0737 M+H 182.0805_1.02 1.02 182.0805 M+H 426.2131_1.03 1.03 426.2131 M+H 294.1547_1.03 1.03 294.1547 M+H 399.234_1.03 1.03 399.234 M+H 195.0379_1.04 1.04 195.0379 M+H 276.1813_1.05 1.05 276.1813 M+H 293.098_1.05 1.05 293.098 M+H 185.1301_1.06 1.06 185.1301 M+H 170.0467_1.06 1.06 170.0467 M+H 207.1122_1.06 1.06 207.1122 M+H 126.0924_1.06 1.06 126.0924 M+H 192.0283_1.06 1.06 192.0283 M+H 152.0356_1.06 1.06 152.0356 M+H 124.0406_1.06 1.06 124.0406 M+H 113.0243_1.06 1.06 113.0243 M+H 221.0022_1.06 1.06 221.0022 M+H 269.971_1.06 1.06 269.971 M+H 284.1868_1.07 1.07 284.1868 M+H 220.1194_1.07 1.07 220.1194 M+H 275.1121_1.07 1.07 275.1121 M+H 289.0905_1.07 1.07 289.0905 M+H 253.1281_1.07 1.07 253.1281 M+H 291.0849_1.07 1.07 291.0849 M+H 239.15_1.08 1.08 239.15 M+H 158.0282_1.09 1.09 158.0282 M+H 218.0444_1.11 1.11 218.0444 M+H 121.0299_1.12 1.12 121.0299 M+H 196.0619_1.12 1.12 196.0619 M+H 195.0769_1.14 1.14 195.0769 M+H 120.0455_1.14 1.14 120.0455 M+H 134.0954_1.16 1.16 134.0954 M+H 205.0828_1.17 1.17 205.0828 M+H 152.0721_1.17 1.17 152.0721 M+H 153.0742_1.17 1.17 153.0742 M+H 110.0619_1.17 1.17 110.0619 M+H 171.0648_1.18 1.18 171.0648 M+H 152.0711_1.18 1.18 152.0711 M+H 166.1243_1.2 1.2 166.1243 M+H 298.0979_1.2 1.2 298.0979 M+H 115.0561_1.2 1.2 115.0561 M+H 268.1562_1.21 1.21 268.1562 M+H 244.1558_1.21 1.21 244.1558 M+H 117.0699_1.22 1.22 117.0699 M+H 148.1112_1.23 1.23 148.1112 M+H 148.1113_1.23 1.23 148.1113 M+H 248.1659_1.23 1.23 248.1659 M+H 434.2177_1.24 1.24 434.2177 M+H 412.1974_1.25 1.25 412.1974 M+H 132.0457_1.26 1.26 132.0457 M+H 372.1812_1.27 1.27 372.1812 M+H 174.1127_1.28 1.28 174.1127 M+H 197.0684_1.29 1.29 197.0684 M+H 181.0738_1.3 1.3 181.0738 M+H 182.0967_1.3 1.3 182.0967 M+H 181.0728_1.3 1.3 181.0728 M+H 157.0849_1.31 1.31 157.0849 M+H 157.0839_1.31 1.31 157.0839 M+H 149.1141_1.32 1.32 149.1141 M+H 151.0403_1.33 1.33 151.0403 M+H 192.0975_1.35 1.35 192.0975 M+H 210.1302_1.35 1.35 210.1302 M+H 150.0866_1.35 1.35 150.0866 M+H 164.1242_1.35 1.35 164.1242 M+H 163.1182_1.35 1.35 163.1182 M+H 232.1109_1.35 1.35 232.1109 M+H 122.0915_1.36 1.36 122.0915 M+H 196.0619_1.36 1.36 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272.1865_4.01 4.01 272.1865 M+H 294.9794_4.02 4.02 294.9794 M+H 121.0295_4.03 4.03 121.0295 M+H 196.0611_4.03 4.03 196.0611 M+H 291.0071_4.03 4.03 291.0071 M+H 445.032_4.03 4.03 445.032 M+H 415.0712_4.03 4.03 415.0712 M+H 249.9805_4.03 4.03 249.9805 M+H 218.0435_4.04 4.04 218.0435 M+H 264.1968_4.11 4.11 264.1968 M+H 254.0597_4.15 4.15 254.0597 M+H 268.1915_4.28 4.28 268.1915 M+H 107.0496_4.36 4.36 107.0496 M+H 481.2623_4.37 4.37 481.2623 M+H 476.3068_4.37 4.37 476.3068 M+H 495.2414_4.37 4.37 495.2414 M+H 490.286_4.37 4.37 490.286 M+H 459.2802_4.37 4.37 459.2802 M+H 473.2595_4.37 4.37 473.2595 M+H 509.2206_4.37 4.37 509.2206 M+H 504.2646_4.37 4.37 504.2646 M+H 504.3375_4.37 4.37 504.3375 M+H 487.238_4.37 4.37 487.238 M+H 525.193_4.37 4.37 525.193 M+H 257.1039_4.37 4.37 257.1039 M+H 249.117_4.37 4.37 249.117 M+H 264.1595_4.38 4.38 264.1595 M+H 258.1854_4.42 4.42 258.1854 M+H 307.079_4.45 4.45 307.079 M+H Cyclo(leucylprolyl) 4.5 211.1441 M+H 354.5301_4.46 4.46 354.5301 M+H 304.1544_4.47 4.47 304.1544 M+H 211.1444_4.47 4.47 211.1444 M+H 354.1954_4.47 4.47 354.1954 M+H 530.7889_4.47 4.47 530.7889 M+H 284.1856_4.48 4.48 284.1856 M+H 525.288_4.53 4.53 525.288 M+H 520.3326_4.53 4.53 520.3326 M+H 503.306_4.53 4.53 503.306 M+H 539.2674_4.53 4.53 539.2674 M+H 534.3118_4.53 4.53 534.3118 M+H 517.2854_4.53 4.53 517.2854 M+H 553.2462_4.53 4.53 553.2462 M+H 250.1804_4.53 4.53 250.1804 M+H 555.2417_4.53 4.53 555.2417 M+H 245.1499_4.56 4.56 245.1499 M+H 267.1314_4.56 4.56 267.1314 M+H 549.7887_4.56 4.56 549.7887 M+H 408.1263_4.62 4.62 408.1263 M+H 564.3587_4.62 4.62 564.3587 M+H 585.2907_4.62 4.62 585.2907 M+H 271.0791_4.63 4.63 271.0791 M+H 569.3143_4.63 4.63 569.3143 M+H 547.3324_4.63 4.63 547.3324 M+H 583.2935_4.63 4.63 583.2935 M+H 578.338_4.63 4.63 578.338 M+H 561.3112_4.63 4.63 561.3112 M+H Acetyl-L-Leucine 4.7 174.1125 M+H 272.1858_4.66 4.66 272.1858 M+H 302.1963_4.66 4.66 302.1963 M+H 613.3403_4.7 4.7 613.3403 M+H 608.3849_4.7 4.7 608.3849 M+H 591.3585_4.7 4.7 591.3585 M+H 627.3195_4.7 4.7 627.3195 M+H 279.1703_4.7 4.7 279.1703 M+H 768.8498_4.72 4.72 768.8498 M+H 156.0105_4.73 4.73 156.0105 M+H 225.1105_4.74 4.74 225.1105 M+H 344.2071_4.74 4.74 344.2071 M+H 167.1068_4.74 4.74 167.1068 M+H 657.3663_4.75 4.75 657.3663 M+H 342.2272_4.77 4.77 342.2272 M+H Phe-Ala-Phe-Ala 4.8 455.2289 M+H 186.1129_4.8 4.8 186.1129 M+H 532.1743_4.84 4.84 532.1743 M+H 304.2119_4.86 4.86 304.2119 M+H 404.5575_4.9 4.9 404.5575 M+H 606.3313_4.9 4.9 606.3313 M+H 400.169_4.91 4.91 400.169 M+H 352.1656_4.91 4.91 352.1656 M+H 404.8919_4.91 4.91 404.8919 M+H 375.262_4.92 4.92 375.262 M+H 400.1688_4.92 4.92 400.1688 M+H 312.1176_4.94 4.94 312.1176 M+H HWESASXX 5 942.468 M+H 257.1499_4.99 4.99 257.1499 M+H 149.024_4.99 4.99 149.024 M+H 330.2273_5.04 5.04 330.2273 M+H 328.2118_5.05 5.05 328.2118 M+H 346.2225_5.05 5.05 346.2225 M+H 332.2427_5.05 5.05 332.2427 M+H 414.1478_5.1 5.1 414.1478 M+H 344.2429_5.1 5.1 344.2429 M+H 274.2013_5.1 5.1 274.2013 M+H 372.1585_5.16 5.16 372.1585 M+H 170.0612_5.17 5.17 170.0612 M+H 245.0923_5.17 5.17 245.0923 M+H 723.362_5.17 5.17 723.362 M+H 370.1217_5.23 5.23 370.1217 M+H 261.1166_5.27 5.27 261.1166 M+H 131.0492_5.31 5.31 131.0492 M+H 267.1565_5.32 5.32 267.1565 M+H 267.157_5.33 5.33 267.157 M+H 286.2015_5.34 5.34 286.2015 M+H 484.2323_5.34 5.34 484.2323 M+H 221.0794_5.36 5.36 221.0794 M+H 286.2015_5.37 5.37 286.2015 M+H 328.2116_5.4 5.4 328.2116 M+H 130.0652_5.41 5.41 130.0652 M+H 631.0113_5.41 5.41 631.0113 M+H 176.0708_5.42 5.42 176.0708 M+H 130.0653_5.42 5.42 130.0653 M+H 528.2803_5.42 5.42 528.2803 M+H 237.1035_5.44 5.44 237.1035 M+H 363.1438_5.45 5.45 363.1438 M+H 277.095_5.45 5.45 277.095 M+H trans-Resveratrol 5.5 229.0859 M+H 421.1472_5.46 5.46 421.1472 M+H 205.1227_5.46 5.46 205.1227 M+H 159.1172_5.46 5.46 159.1172 M+H 416.1914_5.46 5.46 416.1914 M+H 437.1197_5.46 5.46 437.1197 M+H 453.0838_5.46 5.46 453.0838 M+H 185.1154_5.46 5.46 185.1154 M+H 185.1155_5.47 5.47 185.1155 M+H 278.1908_5.48 5.48 278.1908 M+H 272.2015_5.48 5.48 272.2015 M+H 296.1215_5.52 5.52 296.1215 M+H 296.1221_5.54 5.54 296.1221 M+H 330.2276_5.56 5.56 330.2276 M+H 199.0949_5.56 5.56 199.0949 M+H 288.217_5.57 5.57 288.217 M+H 435.1262_5.59 5.59 435.1262 M+H 191.105_5.59 5.59 191.105 M+H 219.1022_5.59 5.59 219.1022 M+H 430.171_5.59 5.59 430.171 M+H 451.0971_5.59 5.59 451.0971 M+H 384.1742_5.59 5.59 384.1742 M+H 325.1716_5.6 5.6 325.1716 M+H 220.1372_5.6 5.6 220.1372 M+H 764.4783_5.6 5.6 764.4783 M+H 467.0637_5.6 5.6 467.0637 M+H 395.1337_5.61 5.61 395.1337 M+H 167.0862_5.63 5.63 167.0862 M+H 222.1137_5.63 5.63 222.1137 M+H 311.1554_5.65 5.65 311.1554 M+H 432.2018_5.66 5.66 432.2018 M+H 398.153_5.66 5.66 398.153 M+H 211.0153_5.66 5.66 211.0153 M+H 308.1806_5.67 5.67 308.1806 M+H 464.1913_5.67 5.67 464.1913 M+H 308.1773_5.67 5.67 308.1773 M+H 310.2016_5.68 5.68 310.2016 M+H 398.1536_5.69 5.69 398.1536 M+H 191.1045_5.69 5.69 191.1045 M+H 217.9905_5.7 5.7 217.9905 M+H 296.0705_5.7 5.7 296.0705 M+H 141.0698_5.71 5.71 141.0698 M+H 300.2172_5.73 5.73 300.2172 M+H 217.9903_5.73 5.73 217.9903 M+H Octanoylcarnitine 5.8 288.2169 M+H 354.1257_5.75 5.75 354.1257 M+H 171.1498_5.75 5.75 171.1498 M+H 354.1271_5.76 5.76 354.1271 M+H 330.2271_5.8 5.8 330.2271 M+H 233.9847_5.8 5.8 233.9847 M+H 464.1906_5.82 5.82 464.1906 M+H 267.1203_5.82 5.82 267.1203 M+H 211.094_5.82 5.82 211.094 M+H 151.0754_5.82 5.82 151.0754 M+H 463.1568_5.82 5.82 463.1568 M+H 217.9903_5.85 5.85 217.9903 M+H 271.1654_5.87 5.87 271.1654 M+H 167.0855_5.87 5.87 167.0855 M+H 272.1659_5.87 5.87 272.1659 M+H 293.1467_5.88 5.88 293.1467 M+H 310.2016_5.9 5.9 310.2016 M+H 369.1519_5.93 5.93 369.1519 M+H 311.1491_5.93 5.93 311.1491 M+H 135.1169_5.93 5.93 135.1169 M+H 401.0892_5.94 5.94 401.0892 M+H 336.2168_5.95 5.95 336.2168 M+H 326.1964_5.97 5.97 326.1964 M+H Estriol 6 311.1618 M+Na 300.217_6.02 6.02 300.217 M+H 356.243_6.07 6.07 356.243 M+H 302.2329_6.13 6.13 302.2329 M+H cis-Resveratrol 6.2 229.0859 M+H 200.1287_6.17 6.17 200.1287 M+H 502.2951_6.18 6.18 502.2951 M+H 314.2324_6.18 6.18 314.2324 M+H 585.271_6.21 6.21 585.271 M+H 240.1599_6.22 6.22 240.1599 M+H 205.1228_6.22 6.22 205.1228 M+H 245.1152_6.22 6.22 245.1152 M+H 159.1172_6.22 6.22 159.1172 M+H 277.0521_6.22 6.22 277.0521 M+H 261.0881_6.22 6.22 261.0881 M+H 185.097_6.28 6.28 185.097 M+H 461.0525_6.28 6.28 461.0525 M+H 149.0242_6.29 6.29 149.0242 M+H 231.1021_6.3 6.3 231.1021 M+H 429.1156_6.3 6.3 429.1156 M+H 231.0637_6.3 6.3 231.0637 M+H 312.217_6.31 6.31 312.217 M+H 338.2326_6.31 6.31 338.2326 M+H 389.1229_6.31 6.31 389.1229 M+H 748.4837_6.32 6.32 748.4837 M+H 356.2431_6.38 6.38 356.2431 M+H 128.9525_6.39 6.39 128.9525 M+H 219.1023_6.42 6.42 219.1023 M+H 117.0701_6.42 6.42 117.0701 M+H 297.168_6.42 6.42 297.168 M+H 259.0945_6.43 6.43 259.0945 M+H 254.1393_6.43 6.43 254.1393 M+H 191.1071_6.43 6.43 191.1071 M+H 291.0319_6.43 6.43 291.0319 M+H 275.0653_6.43 6.43 275.0653 M+H 145.1015_6.43 6.43 145.1015 M+H 163.0757_6.43 6.43 163.0757 M+H 248.0498_6.43 6.43 248.0498 M+H 259.0937_6.43 6.43 259.0937 M+H Sebacic acid 6.4 225.1097 M+Na 314.2327_6.51 6.51 314.2327 M+H 350.2325_6.51 6.51 350.2325 M+H 343.1366_6.6 6.6 343.1366 M+H 358.2589_6.61 6.61 358.2589 M+H 248.1683_6.65 6.65 248.1683 M+H 231.1417_6.65 6.65 231.1417 M+H 225.1107_6.65 6.65 225.1107 M+H 406.2027_6.73 6.73 406.2027 M+H 316.2482_6.73 6.73 316.2482 M+H 406.2028_6.73 6.73 406.2028 M+H 209.1152_6.79 6.79 209.1152 M+H 213.1468_6.9 6.9 213.1468 M+H 213.1467_6.91 6.91 213.1467 M+H 328.2483_6.95 6.95 328.2483 M+H 226.1807_7.12 7.12 226.1807 M+H 266.1731_7.12 7.12 266.1731 M+H 244.1913_7.13 7.13 244.1913 M+H 349.1961_7.13 7.13 349.1961 M+H 245.0788_7.15 7.15 245.0788 M+H 274.1838_7.16 7.16 274.1838 M+H 149.0241_7.17 7.17 149.0241 M+H 313.2851_7.26 7.26 313.2851 M+H 313.2849_7.26 7.26 313.2849 M+H 274.1839_7.28 7.28 274.1839 M+H 228.1964_7.3381 7.3381 228.1964 M+H 250.1783_7.3403 7.3403 250.1783 M+H 250.1783_7.3409 7.3409 250.1783 M+H 228.1964_7.3409 7.3409 228.1964 M+H Naproxen 7.4 231.1016 M+H 225.1261_7.419 7.419 225.1261 M+H 183.0791_7.42 7.42 183.0791 M+H 141.0316_7.42 7.42 141.0316 M+H 98.984_7.42 7.42 98.984 M+H 247.1076_7.42 7.42 247.1076 M+H 225.1261_7.4225 7.4225 225.1261 M+H 183.0792_7.43 7.43 183.0792 M+H 98.984_7.44 7.44 98.984 M+H 158.1544_7.51 7.51 158.1544 M+H 277.1412_7.55 7.55 277.1412 M+H 583.2548_7.58 7.58 583.2548 M+H 185.0971_7.61 7.61 185.0971 M+H Budesonide 7.6 431.2428 M+H 355.1727_7.68 7.68 355.1727 M+H 405.1521_7.79 7.79 405.1521 M+H 161.133_7.79 7.79 161.133 M+H 400.1965_7.79 7.79 400.1965 M+H Dodecanoylcarnitine 7.8 344.2795 M+H 437.0892_7.8 7.8 437.0892 M+H 167.086_7.87 7.87 167.086 M+H 149.0237_7.92 7.92 149.0237 M+H 286.1442_7.98 7.98 286.1442 M+H 348.9902_8.05 8.05 348.9902 M+H 350.9873_8.0521 8.0521 350.9873 M+H 350.9873_8.0539 8.0539 350.9873 M+H 348.9902_8.06 8.06 348.9902 M+H 353.2297_8.12 8.12 353.2297 M+H 259.0922_8.13 8.13 259.0922 M+H 286.1442_8.15 8.15 286.1442 M+H gamma-Muricholic acid 8.3 431.2768 M+Na 225.1966_8.32 8.32 225.1966 M+H 337.1049_8.33 8.33 337.1049 M+H 149.06_8.33 8.33 149.06 M+H 414.3002_8.49 8.49 414.3002 M+H 536.3346_8.58 8.58 536.3346 M+H 354.2852_8.72 8.72 354.2852 M+H 360.2438_8.72 8.72 360.2438 M+H 359.2408_8.72 8.72 359.2408 M+H 359.2407_8.72 8.72 359.2407 M+H 354.285_8.73 8.73 354.285 M+H 360.2439_8.73 8.73 360.2439 M+H 536.3345_8.74 8.74 536.3345 M+H 353.2296_8.76 8.76 353.2296 M+H 343.2956_8.7779 8.7779 343.2956 M+H 343.2956_8.7825 8.7825 343.2956 M+H 243.1361_9.1065 9.1065 243.1361 M+H 243.1361_9.1109 9.1109 243.1361 M+H 335.2195_9.48 9.48 335.2195 M+H 295.227_9.48 9.48 295.227 M+H 367.1573_9.48 9.48 367.1573 M+H 313.2374_9.48 9.48 313.2374 M+H 277.216_9.48 9.48 277.216 M+H Sphingosine (d18:1) 9.5 300.2897 M+H 361.3039_9.67 9.67 361.3039 M+H Chenodeoxycholic Acid 9.7 357.2788 M-2H2O 365.1362_9.71 9.71 365.1362 M+H Lovastatin Hydroxy Acid 9.8 445.2561 M+Na 196.0075_9.83 9.83 196.0075 M+H 137.9646_9.86 9.86 137.9646 M+H Sphinganine (d18:0) 9.9 302.3054 M+H Deoxycholic acid 10 357.2788 M-2H2O 377.1637_9.96 9.96 377.1637 M+H 330.1156_9.97 9.97 330.1156 M+H 374.1066_9.97 9.97 374.1066 M+H 889.3817_9.98 9.98 889.3817 M+H 873.4095_9.98 9.98 873.4095 M+H 569.2406_9.98 9.98 569.2406 M+H 652.2333_9.98 9.98 652.2333 M+H 666.285_9.98 9.98 666.285 M+H 191.0708_9.98 9.98 191.0708 M+H 393.1357_9.98 9.98 393.1357 M+H 859.4224_9.98 9.98 859.4224 M+H 139.0401_9.98 9.98 139.0401 M+H 879.4257_9.98 9.98 879.4257 M+H 323.1227_9.99 9.99 323.1227 M+H 595.2579_9.99 9.99 595.2579 M+H 390.1499_9.99 9.99 390.1499 M+H 349.1456_9.99 9.99 349.1456 M+H 670.2801_10 10 670.2801 M+H 601.275_10 10 601.275 M+H 71.0856_10 10 71.0856 M+H 113.1324_10 10 113.1324 M+H 371.1185_10 10 371.1185 M+H 217.9902_10 10 217.9902 M+H 495.171_10.01 10.01 495.171 M+H 334.1117_10.01 10.01 334.1117 M+H Palmitoylcarnitine 10 400.3421 M+H 434.1433_10.02 10.02 434.1433 M+H 358.1327_10.02 10.02 358.1327 M+H 611.2302_10.03 10.03 611.2302 M+H 379.0844_10.03 10.03 379.0844 M+H 409.1804_10.03 10.03 409.1804 M+H 301.1416_10.04 10.04 301.1416 M+H 121.0291_10.04 10.04 121.0291 M+H 579.293_10.05 10.05 579.293 M+H 279.1597_10.05 10.05 279.1597 M+H 317.1145_10.05 10.05 317.1145 M+H 366.2407_10.07 10.07 366.2407 M+H 452.1863_10.07 10.07 452.1863 M+H 149.0244_10.08 10.08 149.0244 M+H 167.0346_10.08 10.08 167.0346 M+H 209.0819_10.08 10.08 209.0819 M+H 291.1948_10.13 10.13 291.1948 M+H 403.3613_10.13 10.13 403.3613 M+H 291.194_10.14 10.14 291.194 M+H 468.309_10.16 10.16 468.309 M+H 301.1418_10.17 10.17 301.1418 M+H 279.1609_10.17 10.17 279.1609 M+H 149.0246_10.19 10.19 149.0246 M+H 149.0245_10.21 10.21 149.0245 M+H 379.0855_10.28 10.28 379.0855 M+H 279.1606_10.28 10.28 279.1606 M+H 303.1482_10.28 10.28 303.1482 M+H 317.1158_10.28 10.28 317.1158 M+H 438.1348_10.29 10.29 438.1348 M+H 579.2936_10.29 10.29 579.2936 M+H 301.1425_10.29 10.29 301.1425 M+H 205.0873_10.29 10.29 205.0873 M+H 378.2649_10.29 10.29 378.2649 M+H 280.1638_10.29 10.29 280.1638 M+H 100.1124_10.29 10.29 100.1124 M+H 518.3254_10.34 10.34 518.3254 M+H 542.3255_10.37 10.37 542.3255 M+H 494.3242_10.5 10.5 494.3242 M+H Simvastatin 10.5 441.2611 M+Na 349.2352_10.53 10.53 349.2352 M+H 319.224_10.67 10.67 319.224 M+H 520.3402_10.72 10.72 520.3402 M+H 287.6341_10.72 10.72 287.6341 M+H 279.6473_10.72 10.72 279.6473 M+H 619.2574_10.72 10.72 619.2574 M+H 482.3236_10.73 10.73 482.3236 M+H 542.3217_10.73 10.73 542.3217 M+H 568.339_10.76 10.76 568.339 M+H 544.3399_10.77 10.77 544.3399 M+H 566.3216_10.77 10.77 566.3216 M+H 315.157_10.85 10.85 315.157 M+H 1061.6533_10.91 10.91 1061.6533 M+H 547.3008_10.91 10.91 547.3008 M+H 619.2574_10.91 10.91 619.2574 M+H 574.2599_10.91 10.91 574.2599 M+H 520.3402_10.92 10.92 520.3402 M+H 287.6342_10.92 10.92 287.6342 M+H 279.6478_10.92 10.92 279.6478 M+H 615.2623_10.92 10.92 615.2623 M+H 633.3082_10.92 10.92 633.3082 M+H 558.2957_10.92 10.92 558.2957 M+H 285.1332_10.92 10.92 285.1332 M+H 1039.6713_10.93 10.93 1039.6713 M+H 104.1072_10.93 10.93 104.1072 M+H 559.2989_10.94 10.94 559.2989 M+H 1085.6526_10.95 10.95 1085.6526 M+H 590.3207_10.95 10.95 590.3207 M+H 558.7963_10.95 10.95 558.7963 M+H 544.34_10.96 10.96 544.34 M+H 299.6338_10.96 10.96 299.6338 M+H 291.6476_10.96 10.96 291.6476 M+H 566.3218_10.97 10.97 566.3218 M+H Sphinganine-phosphate (d18:0) 11 382.2717 M+H 240.1_11.04 11.04 240.1 M+H 595.2573_11.06 11.06 595.2573 M+H 275.6341_11.06 11.06 275.6341 M+H 496.3401_11.07 11.07 496.3401 M+H 518.322_11.07 11.07 518.322 M+H 267.6476_11.07 11.07 267.6476 M+H 184.0742_11.07 11.07 184.0742 M+H 478.294_11.09 11.09 478.294 M+H 419.2763_11.11 11.11 419.2763 M+H 502.2932_11.13 11.13 502.2932 M+H 182.9859_11.13 11.13 182.9859 M+H 197.014_11.13 11.13 197.014 M+H 309.2039_11.14 11.14 309.2039 M+H 309.2039_11.15 11.15 309.2039 M+H 154.9809_11.16 11.16 154.9809 M+H 546.3545_11.17 11.17 546.3545 M+H 140.9626_11.17 11.17 140.9626 M+H 156.0102_11.18 11.18 156.0102 M+H 174.0342_11.18 11.18 174.0342 M+H 125.985_11.19 11.19 125.985 M+H 375.2501_11.24 11.24 375.2501 M+H 570.3549_11.24 11.24 570.3549 M+H 496.3406_11.29 11.29 496.3406 M+H 518.322_11.29 11.29 518.322 M+H 991.6721_11.29 11.29 991.6721 M+H 1013.6544_11.29 11.29 1013.6544 M+H 275.6343_11.29 11.29 275.6343 M+H 267.6478_11.29 11.29 267.6478 M+H 534.2955_11.29 11.29 534.2955 M+H 591.2622_11.29 11.29 591.2622 M+H 296.1474_11.29 11.29 296.1474 M+H 595.2577_11.29 11.29 595.2577 M+H 609.3085_11.29 11.29 609.3085 M+H 478.3263_11.29 11.29 478.3263 M+H 523.3002_11.3 11.3 523.3002 M+H 515.3141_11.3 11.3 515.3141 M+H 312.0298_11.3 11.3 312.0298 M+H 104.1073_11.31 11.31 104.1073 M+H LysoPC(16:0) 11.3 496.3398 M+H 546.3554_11.37 11.37 546.3554 M+H 568.3375_11.37 11.37 568.3375 M+H 522.3556_11.39 11.39 522.3556 M+H 544.3379_11.39 11.39 544.3379 M+H POV-PC 11.4 594.3765 M+H 454.2929_11.47 11.47 454.2929 M+H 522.3561_11.59 11.59 522.3561 M+H 544.338_11.59 11.59 544.338 M+H 621.2728_11.6 11.6 621.2728 M+H 430.2979_11.68 11.68 430.2979 M+H 406.3304_11.75 11.75 406.3304 M+H 482.3609_11.76 11.76 482.3609 M+H 297.2402_11.79 11.79 297.2402 M+H 480.3442_11.79 11.79 480.3442 M+H 317.2481_11.79 11.79 317.2481 M+H 572.371_11.8 11.8 572.371 M+H 510.3554_11.81 11.81 510.3554 M+H PAF C-16 11.9 524.3711 M+H 548.3707_11.92 11.92 548.3707 M+H 341.2491_11.98 11.98 341.2491 M+H 385.1544_11.99 11.99 385.1544 M+H 317.2475_11.99 11.99 317.2475 M+H 462.2771_11.99 11.99 462.2771 M+H 321.2399_11.99 11.99 321.2399 M+H 438.2979_12 12 438.2979 M+H 251.0472_12 12 251.0472 M+H 381.2405_12.01 12.01 381.2405 M+H 508.3761_12.02 12.02 508.3761 M+H 357.2404_12.03 12.03 357.2404 M+H 2-O-methyl PAF C16 12.1 496.3762 M+H 506.3601_12.06 12.06 506.3601 M+H LysoPC(18:0) 12.1 524.3711 M+H 524.3713_12.17 12.17 524.3713 M+H 546.3524_12.17 12.17 546.3524 M+H 383.2558_12.26 12.26 383.2558 M+H 319.2628_12.27 12.27 319.2628 M+H 359.2426_12.28 12.28 359.2426 M+H 2-O-ethyl PAF C-16 12.4 510.3918 M+H 562.3264_12.38 12.38 562.3264 M+H 619.2935_12.38 12.38 619.2935 M+H 524.3715_12.39 12.39 524.3715 M+H 546.3533_12.39 12.39 546.3533 M+H 281.6634_12.39 12.39 281.6634 M+H 289.6495_12.39 12.39 289.6495 M+H 551.3317_12.39 12.39 551.3317 M+H 623.2887_12.4 12.4 623.2887 M+H Palmitoyl-EA 12.5 300.2897 M+H 482.3242_12.57 12.57 482.3242 M+H 156.0094_12.58 12.58 156.0094 M+H 1-linoleoylglycerol 12.6 355.2843 M+H 1-arachidonoylglycerol 12.6 379.2843 M+H 331.2245_12.71 12.71 331.2245 M+H 584.2628_12.83 12.83 584.2628 M+H 299.1393_12.83 12.83 299.1393 M+H 585.2699_12.83 12.83 585.2699 M+H 510.3916_12.84 12.84 510.3916 M+H Oleamide 12.9 282.2791 M+H 523.3241_12.91 12.91 523.3241 M+H Butanoyl-PAF 12.9 552.4024 M+H 125.9854_12.92 12.92 125.9854 M+H 421.233_12.92 12.92 421.233 M+H 353.2652_12.93 12.93 353.2652 M+H 286.2293_12.98 12.98 286.2293 M+H 269.2265_12.98 12.98 269.2265 M+H 145.0174_12.98 12.98 145.0174 M+H 255.211_12.99 12.99 255.211 M+H 466.3293_13.07 13.07 466.3293 M+H PAF C-18 13.1 552.4024 M+H 368.201_13.14 13.14 368.201 M+H 408.3072_13.45 13.45 408.3072 M+H 226.18_13.45 13.45 226.18 M+H 266.1732_13.45 13.45 266.1732 M+H 228.1963_13.45 13.45 228.1963 M+H 226.1805_13.45 13.45 226.1805 M+H 228.1962_13.46 13.46 228.1962 M+H 408.3085_13.46 13.46 408.3085 M+H 250.1782_13.46 13.46 250.1782 M+H 250.1785_13.48 13.48 250.1785 M+H 394.2167_13.53 13.53 394.2167 M+H 335.1669_13.53 13.53 335.1669 M+H 319.1947_13.53 13.53 319.1947 M+H 337.1677_13.54 13.54 337.1677 M+H 339.1637_13.54 13.54 339.1637 M+H 376.1708_13.54 13.54 376.1708 M+H 217.0189_13.54 13.54 217.0189 M+H 561.412_13.57 13.57 561.412 M+H 491.3697_13.66 13.66 491.3697 M+H 226.1803_13.78 13.78 226.1803 M+H 250.1782_13.78 13.78 250.1782 M+H 228.1963_13.78 13.78 228.1963 M+H 266.1729_13.78 13.78 266.1729 M+H 408.3062_13.79 13.79 408.3062 M+H 250.1786_13.79 13.79 250.1786 M+H 408.3082_13.79 13.79 408.3082 M+H 228.196_13.8 13.8 228.196 M+H 266.173_13.8 13.8 266.173 M+H 310.3107_13.94 13.94 310.3107 M+H 430.2744_13.95 13.95 430.2744 M+H 411.2444_13.95 13.95 411.2444 M+H 332.2925_13.95 13.95 332.2925 M+H 563.4277_13.95 13.95 563.4277 M+H 295.1948_13.95 13.95 295.1948 M+H 395.2209_13.96 13.96 395.2209 M+H 381.294_14.03 14.03 381.294 M+H 399.2529_14.08 14.08 399.2529 M+H 396.2325_14.19 14.19 396.2325 M+H 339.1836_14.19 14.19 339.1836 M+H 603.4656_14.19 14.19 603.4656 M+H 337.1823_14.19 14.19 337.1823 M+H Cholesterol sulfate 14.2 369.3513 M-SO4 380.2097_14.2 14.2 380.2097 M+H 321.2105_14.2 14.2 321.2105 M+H 378.2085_14.2 14.2 378.2085 M+H 389.0653_14.22 14.22 389.0653 M+H 336.326_14.24 14.24 336.326 M+H 217.1053_14.27 14.27 217.1053 M+H 617.4749_14.36 14.36 617.4749 M+H LacCer(d18:1/12:0) 14.4 806.5624 M+H 415.2741_14.43 14.43 415.2741 M+H 490.3899_14.44 14.44 490.3899 M+H 429.2412_14.44 14.44 429.2412 M+H 410.2584_14.44 14.44 410.2584 M+H 413.2675_14.45 14.45 413.2675 M+H 279.1598_14.45 14.45 279.1598 M+H 614.3839_14.45 14.45 614.3839 M+H 550.2593_14.45 14.45 550.2593 M+H 532.2128_14.45 14.45 532.2128 M+H 597.4084_14.45 14.45 597.4084 M+H 391.2865_14.46 14.46 391.2865 M+H 149.024_14.46 14.46 149.024 M+H 803.5436_14.46 14.46 803.5436 M+H 429.2439_14.46 14.46 429.2439 M+H 803.5446_14.46 14.46 803.5446 M+H 392.2887_14.46 14.46 392.2887 M+H 585.3142_14.46 14.46 585.3142 M+H 149.0242_14.46 14.46 149.0242 M+H 391.286_14.46 14.46 391.286 M+H 121.029_14.46 14.46 121.029 M+H 113.1328_14.46 14.46 113.1328 M+H 167.0346_14.46 14.46 167.0346 M+H 209.0817_14.46 14.46 209.0817 M+H 139.0398_14.46 14.46 139.0398 M+H 613.3848_14.46 14.46 613.3848 M+H 57.0697_14.46 14.46 57.0697 M+H 447.7692_14.46 14.46 447.7692 M+H 438.746_14.46 14.46 438.746 M+H 191.0707_14.46 14.46 191.0707 M+H 414.2703_14.46 14.46 414.2703 M+H SM(d18:1/12:0) 14.5 647.5123 M+H 413.2671_14.47 14.47 413.2671 M+H 490.3897_14.47 14.47 490.3897 M+H 585.3151_14.47 14.47 585.3151 M+H 71.0856_14.47 14.47 71.0856 M+H 619.8872_14.47 14.47 619.8872 M+H 620.3889_14.47 14.47 620.3889 M+H 597.9095_14.47 14.47 597.9095 M+H 100.1122_14.47 14.47 100.1122 M+H 419.2445_14.47 14.47 419.2445 M+H 605.3971_14.48 14.48 605.3971 M+H 413.2675_14.48 14.48 413.2675 M+H 393.2947_14.5 14.5 393.2947 M+H 393.2972_14.58 14.58 393.2972 M+H 319.2636_14.6 14.6 319.2636 M+H 312.3267_14.72 14.72 312.3267 M+H 619.4904_14.8 14.8 619.4904 M+H 338.3424_14.84 14.84 338.3424 M+H 321.3157_14.84 14.84 321.3157 M+H 338.342_14.85 14.85 338.342 M+H 360.3235_14.85 14.85 360.3235 M+H 427.285_14.85 14.85 427.285 M+H 360.3242_14.85 14.85 360.3242 M+H 675.6765_14.85 14.85 675.6765 M+H 361.3275_14.85 14.85 361.3275 M+H 458.3061_14.94 14.94 458.3061 M+H 423.2542_14.95 14.95 423.2542 M+H PC(14:0/14:0) or PC(16:0/12:0) 15 678.5068 M+H 271.2634_15.11 15.11 271.2634 M+H 441.2984_15.14 15.14 441.2984 M+H 442.3015_15.14 15.14 442.3015 M+H 441.2984_15.15 15.15 441.2984 M+H 441.2984_15.16 15.16 441.2984 M+H 419.3177_15.16 15.16 419.3177 M+H 675.5439_15.17 15.17 675.5439 M+H 697.5255_15.18 15.18 697.5255 M+H 518.4204_15.19 15.19 518.4204 M+H 419.3172_15.21 15.21 419.3172 M+H 518.4203_15.23 15.23 518.4203 M+H 421.3144_15.29 15.29 421.3144 M+H ?-Tocotrienol 15.3 424.3336 M+H 701.5598_15.36 15.36 701.5598 M+H 723.5412_15.37 15.37 723.5412 M+H 217.0188_15.37 15.37 217.0188 M+H 433.3316_15.49 15.49 433.3316 M+H 455.3143_15.5 15.5 455.3143 M+H 455.3142_15.5 15.5 455.3142 M+H 423.3255_15.51 15.51 423.3255 M+H 433.3308_15.51 15.51 433.3308 M+H 689.559_15.52 15.52 689.559 M+H 423.3261_15.52 15.52 423.3261 M+H 711.5407_15.52 15.52 711.5407 M+H 730.5369_15.66 15.66 730.5369 M+H 499.2753_15.6853 15.6853 499.2753 M+H 499.2753_15.6897 15.6897 499.2753 M+H 429.3711_15.72 15.72 429.3711 M+H 469.3329_15.76 15.76 469.3329 M+H SM(d18:1/18:1) 15.8 729.5905 M+H 469.3312_15.81 15.81 469.3312 M+H 703.5756_15.84 15.84 703.5756 M+H 725.5575_15.84 15.84 725.5575 M+H 371.2651_15.84 15.84 371.2651 M+H LacCer(d18:1/16:0) 15.9 862.625 M+H 450.3612_15.88 15.88 450.3612 M+H 756.5517_15.88 15.88 756.5517 M+H 778.5358_15.88 15.88 778.5358 M+H 449.3566_15.89 15.89 449.3566 M+H 449.3573_15.91 15.91 449.3573 M+H 802.5337_15.91 15.91 802.5337 M+H Cholesterol 16 369.35 M-H2O 553.3905_15.97 15.97 553.3905 M+H 804.549_15.98 15.98 804.549 M+H 828.5507_15.98 15.98 828.5507 M+H 782.5682_15.99 15.99 782.5682 M+H 425.3614_16 16 425.3614 M+H 799.1044_16 16 799.1044 M+H 447.3451_16.01 16.01 447.3451 M+H 524.4668_16.01 16.01 524.4668 M+H 437.3419_16.01 16.01 437.3419 M+H 729.5906_16.02 16.02 729.5906 M+H 751.5723_16.03 16.03 751.5723 M+H 414.2699_16.03 16.03 414.2699 M+H 754.5358_16.06 16.06 754.5358 M+H 732.5544_16.07 16.07 732.5544 M+H 727.5697_16.07 16.07 727.5697 M+H 717.5908_16.15 16.15 717.5908 M+H 739.5729_16.15 16.15 739.5729 M+H 521.3895_16.16 16.16 521.3895 M+H 807.5676_16.17 16.17 807.5676 M+H 828.5515_16.18 16.18 828.5515 M+H PE(16:0/18:2) 16.2 716.5225 M+H 758.5702_16.24 16.24 758.5702 M+H 1171.8328_16.24 16.24 1171.8328 M+H 782.5684_16.25 16.25 782.5684 M+H 952.5981_16.25 16.25 952.5981 M+H 780.5522_16.26 16.26 780.5522 M+H 804.5519_16.26 16.26 804.5519 M+H PC(18:0/14:0) or PC(16:0/16:0) 16.3 734.5694 M+H 781.0546_16.27 16.27 781.0546 M+H 792.5549_16.29 16.29 792.5549 M+H Docosahexaenoyl PAF C-16 16.3 792.5902 M+H Eicosapentaenoyl PAF C-16 16.3 766.5745 M+H 451.3569_16.34 16.34 451.3569 M+H 830.5662_16.37 16.37 830.5662 M+H 784.5821_16.43 16.43 784.5821 M+H 806.5669_16.43 16.43 806.5669 M+H SM(d18:1/18:0) 16.5 731.6062 M+H 731.6061_16.45 16.45 731.6061 M+H 753.5879_16.46 16.46 753.5879 M+H Thioetheramide-PC 16.5 735.5833 M+H 772.5842_16.51 16.51 772.5842 M+H 788.5567_16.52 16.52 788.5567 M+H 766.5732_16.53 16.53 766.5732 M+H 742.5739_16.54 16.54 742.5739 M+H 764.5567_16.54 16.54 764.5567 M+H ArachidonoylPAF-C16 16.6 768.5902 M+H 768.5898_16.59 16.59 768.5898 M+H 790.5721_16.59 16.59 790.5721 M+H 760.5849_16.6 16.6 760.5849 M+H 782.5682_16.6 16.6 782.5682 M+H 744.5894_16.6 16.6 744.5894 M+H 757.6212_16.6 16.6 757.6212 M+H 850.5514_16.6 16.6 850.5514 M+H 465.3716_16.61 16.61 465.3716 M+H 867.5436_16.61 16.61 867.5436 M+H 792.5866_16.63 16.63 792.5866 M+H PC(16:0/18:1) 16.7 760.5851 M+H 794.6043_16.67 16.67 794.6043 M+H 816.5873_16.67 16.67 816.5873 M+H 770.6025_16.68 16.68 770.6025 M+H 536.1651_16.68 16.68 536.1651 M+H 856.5821_16.71 16.71 856.5821 M+H 835.5998_16.72 16.72 835.5998 M+H PC(18:1/18:1) 16.8 786.6007 M+H 832.5815_16.77 16.77 832.5815 M+H 786.6001_16.78 16.78 786.6001 M+H 808.583_16.78 16.78 808.583 M+H 820.5942_16.78 16.78 820.5942 M+H 809.0848_16.78 16.78 809.0848 M+H 893.5594_16.81 16.81 893.5594 M+H 812.6136_16.92 16.92 812.6136 M+H 834.5977_16.94 16.94 834.5977 M+H 810.5985_17.08 17.08 810.5985 M+H 796.6201_17.08 17.08 796.6201 M+H 788.6157_17.09 17.09 788.6157 M+H 785.6525_17.1 17.1 785.6525 M+H 807.6343_17.1 17.1 807.6343 M+H 559.5168_17.11 17.11 559.5168 M+H 559.517_17.11 17.11 559.517 M+H 537.535_17.11 17.11 537.535 M+H 537.535_17.12 17.12 537.535 M+H 833.6503_17.12 17.12 833.6503 M+H 811.6671_17.13 17.13 811.6671 M+H 537.3958_17.28 17.28 537.3958 M+H 515.4153_17.28 17.28 515.4153 M+H 614.5175_17.28 17.28 614.5175 M+H 532.4389_17.28 17.28 532.4389 M+H 614.5174_17.28 17.28 614.5174 M+H 537.3958_17.29 17.29 537.3958 M+H 515.4153_17.29 17.29 515.4153 M+H 532.439_17.29 17.29 532.439 M+H Cer(d18:1/18:0) 17.3 548.5392 M-H2O 685.437_17.42 17.42 685.437 M+H 762.5589_17.42 17.42 762.5589 M+H 857.4826_17.42 17.42 857.4826 M+H 663.4555_17.42 17.42 663.4555 M+H 762.5587_17.42 17.42 762.5587 M+H 685.4373_17.43 17.43 685.4373 M+H 857.4827_17.43 17.43 857.4827 M+H 835.666_17.45 17.45 835.666 M+H 813.6839_17.45 17.45 813.6839 M+H 587.548_17.56 17.56 587.548 M+H 565.5664_17.56 17.56 565.5664 M+H 587.5483_17.56 17.56 587.5483 M+H 565.5665_17.56 17.56 565.5665 M+H 117.9656_17.69 17.69 117.9656 M+H SM(d18:1/24:0) 17.8 815.7001 M+H 615.578_17.93 17.93 615.578 M+H 615.5788_17.94 17.94 615.5788 M+H 117.9655_17.95 17.95 117.9655 M+H 661.5383_18.31 18.31 661.5383 M+H 393.0362_18.52 18.52 393.0362 M+H 411.0472_18.52 18.52 411.0472 M+H 411.0471_18.53 18.53 411.0471 M+H 605.0757_18.53 18.53 605.0757 M+H 393.0361_18.54 18.54 393.0361 M+H 605.0757_18.54 18.54 605.0757 M+H 393.0362_18.542 18.542 393.0362 M+H 393.0362_18.543 18.543 393.0362 M+H 605.0757_18.55 18.55 605.0757 M+H 411.0471_18.5503 18.5503 411.0471 M+H 411.0471_18.5518 18.5518 411.0471 M+H 689.5693_18.56 18.56 689.5693 M+H 411.0471_18.57 18.57 411.0471 M+H 393.0361_18.58 18.58 393.0361 M+H 393.0361_18.5875a 18.5875 393.0361 M+H 393.0361_18.5875b 18.5875 393.0361 M+H 393.0361_18.5882 18.5882 393.0361 M+H 411.0472_18.59 18.59 411.0472 M+H 605.0757_18.6 18.6 605.0757 M+H 800.1077_18.6057 18.6057 800.1077 M+H 800.1077_18.6086 18.6086 800.1077 M+H 799.1048_18.61 18.61 799.1048 M+H 393.0362_18.61 18.61 393.0362 M+H 800.1077_18.613 18.613 800.1077 M+H 800.1077_18.62 18.62 800.1077 M+H 605.0757_18.63 18.63 605.0757 M+H 799.1048_18.6382 18.6382 799.1048 M+H 605.0757_18.64 18.64 605.0757 M+H 799.1048_18.644 18.644 799.1048 M+H 605.0757_18.65 18.65 605.0757 M+H 800.1076_18.65 18.65 800.1076 M+H 799.1048_18.66 18.66 799.1048 M+H 799.1048_18.67 18.67 799.1048 M+H 800.1077_18.67 18.67 800.1077 M+H 453.0938_18.68 18.68 453.0938 M+H 799.1048_18.68 18.68 799.1048 M+H 453.0938_18.6897 18.6897 453.0938 M+H 453.0938_18.6917 18.6917 453.0938 M+H 453.0938_18.6965 18.6965 453.0938 M+H 453.0938_18.6994 18.6994 453.0938 M+H 117.9654_18.71 18.71 117.9654 M+H 134.9786_18.93 18.93 134.9786 M+H 372.0578_19.279 19.279 372.0578 M+H 372.0578_19.2797 19.2797 372.0578 M+H 371.0549_19.3 19.3 371.0549 M+H 371.0549_19.31 19.31 371.0549 M+H 371.055_19.31 19.31 371.055 M+H 565.0834_19.31 19.31 565.0834 M+H 108.9263_19.31 19.31 108.9263 M+H 372.0579_19.31 19.31 372.0579 M+H 565.0834_19.32 19.32 565.0834 M+H 447.1067_19.33 19.33 447.1067 M+H 447.1067_19.3598 19.3598 447.1067 M+H 447.1067_19.3642 19.3642 447.1067 M+H 117.9652_19.48 19.48 117.9652 M+H 98.984_19.52 19.52 98.984 M+H 98.984_19.55 19.55 98.984 M+H 413.1011_19.59 19.59 413.1011 M+H 431.1123_19.6076 19.6076 431.1123 M+H 431.1123_19.6098 19.6098 431.1123 M+H 413.1011_19.61 19.61 413.1011 M+H 432.1153_19.65 19.65 432.1153 M+H 431.1123_19.67 19.67 431.1123 M+H 431.1123_19.6884 19.6884 431.1123 M+H 432.1153_19.69 19.69 432.1153 M+H 431.1123_19.6903 19.6903 431.1123 M+H 432.1153_19.7 19.7 432.1153 M+H 431.1123_19.7 19.7 431.1123 M+H 432.1153_19.7068 19.7068 432.1153 M+H 432.1153_19.7107 19.7107 432.1153 M+H 432.1153_19.72 19.72 432.1153 M+H 432.1153_19.73 19.73 432.1153 M+H 413.1011_19.74 19.74 413.1011 M+H 432.1153_19.74 19.74 432.1153 M+H 117.9653_19.85 19.85 117.9653 M+H 239.0892_19.9 19.9 239.0892 M+H 238.0871_19.93 19.93 238.0871 M+H 238.0871_19.95 19.95 238.0871 M+H 238.0871_19.99 19.99 238.0871 M+H 239.0892_19.99 19.99 239.0892 M+H 238.0871_20.03 20.03 238.0871 M+H 239.0892_20.03 20.03 239.0892 M+H 239.0892_20.04 20.04 239.0892 M+H 238.0871_20.05 20.05 238.0871 M+H 239.0892_20.05 20.05 239.0892 M+H 237.084_20.06 20.06 237.084 M+H 237.084_20.07 20.07 237.084 M+H 237.084_20.08 20.08 237.084 M+H 237.084_20.09 20.09 237.084 M+H 238.0872_20.09 20.09 238.0872 M+H 237.084_20.1118 20.1118 237.084 M+H 237.084_20.1125 20.1125 237.084 M+H 239.0892_20.12 20.12 239.0892 M+H 239.0892_20.13 20.13 239.0892 M+H 237.084_20.14 20.14 237.084 M+H 238.0872_20.14 20.14 238.0872 M+H 239.0892_20.15 20.15 239.0892 M+H 237.084_20.15 20.15 237.084 M+H 238.0872_20.1576 20.1576 238.0872 M+H 238.0872_20.1595a 20.1595 238.0872 M+H 238.0872_20.1595b 20.1595 238.0872 M+H 237.084_20.177 20.177 237.084 M+H 237.084_20.1838 20.1838 237.084 M+H 239.0892_20.19 20.19 239.0892 M+H 239.0892_20.2 20.2 239.0892 M+H 473.1593_20.27 20.27 473.1593 M+H 474.1625_20.27 20.27 474.1625 M+H 473.1593_20.28 20.28 473.1593 M+H 474.1625_20.28 20.28 474.1625 M+H 393.0362_20.28 20.28 393.0362 M+H 473.1593_20.29 20.29 473.1593 M+H 474.1625_20.3 20.3 474.1625 M+H 474.1625_20.32 20.32 474.1625 M+H 474.1625_20.33 20.33 474.1625 M+H 473.1593_20.34 20.34 473.1593 M+H 474.1625_20.36 20.36 474.1625 M+H 474.1625_20.3694a 20.3694 474.1625 M+H 474.1625_20.3694b 20.3694 474.1625 M+H 605.0756_20.37 20.37 605.0756 M+H 474.1625_20.4 20.4 474.1625 M+H 393.0362_20.45 20.45 393.0362 M+H 473.1593_20.46 20.46 473.1593 M+H 799.1048_20.47 20.47 799.1048 M+H 473.1593_20.47 20.47 473.1593 M+H 799.1048_20.48 20.48 799.1048 M+H 393.0362_20.49 20.49 393.0362 M+H 799.1047_20.5 20.5 799.1047 M+H 799.1048_20.52 20.52 799.1048 M+H 473.1593_20.54 20.54 473.1593 M+H 473.1593_20.5617a 20.5617 473.1593 M+H 473.1593_20.5617b 20.5617 473.1593 M+H 473.1593_20.58 20.58 473.1593 M+H 799.1048_20.58 20.58 799.1048 M+H 275.0601_20.84 20.84 275.0601 M+H 495.141_20.84 20.84 495.141 M+H 275.0602_20.84 20.84 275.0602 M+H 495.1409_20.85 20.85 495.1409 M+H 360.244_20.86 20.86 360.244 M+H 360.2439_20.88 20.88 360.2439 M+H 305.1574_20.88 20.88 305.1574 M+H 349.1835_20.88 20.88 349.1835 M+H 166.1592_20.89 20.89 166.1592 M+H 259.0654_20.89 20.89 259.0654 M+H 140.1435_20.8965 20.8965 140.1435 M+H 140.1435_20.8998 20.8998 140.1435 M+H 259.0654_20.9 20.9 259.0654 M+H 305.1574_20.9 20.9 305.1574 M+H 430.9138_20.9023 20.9023 430.9138 M+H 430.9138_20.9046 20.9046 430.9138 M+H 158.9643_20.91 20.91 158.9643 M+H 221.0884_20.91 20.91 221.0884 M+H 261.1313_20.91 20.91 261.1313 M+H 226.952_20.9118 20.9118 226.952 M+H 226.952_20.9144 20.9144 226.952 M+H 221.0884_20.92 20.92 221.0884 M+H 158.9644_20.92 20.92 158.9644 M+H 243.9421_20.93 20.93 243.9421 M+H 193.0572_20.94 20.94 193.0572 M+H 193.0571_20.94 20.94 193.0571 M+H 243.942_20.94 20.94 243.942 M+H 90.9766_20.94 20.94 90.9766 M+H 217.1052_20.94 20.94 217.1052 M+H 453.094_20.9431 20.9431 453.094 M+H 453.094_20.9435 20.9435 453.094 M+H 217.0186_20.9493 20.9493 217.0186 M+H 217.0186_20.9497 20.9497 217.0186 M+H 90.9766_20.95 20.95 90.9766 M+H 173.0789_20.95 20.95 173.0789 M+H 393.0363_20.96 20.96 393.0363 M+H 393.0362_20.96 20.96 393.0362 M+H 107.9667_20.97 20.97 107.9667 M+H 107.9668_20.98 20.98 107.9668 M+H 371.055_20.99 20.99 371.055 M+H 389.0652_21 21 389.0652 M+H 389.0651_21 21 389.0651 M+H 129.0408_21.01 21.01 129.0408 M+H 110.0087_21.01 21.01 110.0087 M+H 189.0976_21.0116 21.0116 189.0976 M+H 170.0667_21.0116 21.0116 170.0667 M+H 170.0667_21.0134 21.0134 170.0667 M+H 189.0976_21.0134 21.0134 189.0976 M+H 145.9567_21.02 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111.9845 M+H 128.9994_21.27 21.27 128.9994 M+H 481.8893_21.27 21.27 481.8893 M+H 128.9517_21.2791 21.2791 128.9517 M+H 360.991_21.28 21.28 360.991 M+H 111.9845_21.28 21.28 111.9845 M+H 124.9664_21.28 21.28 124.9664 M+H 114.9842_21.28 21.28 114.9842 M+H 70.9581_21.28 21.28 70.9581 M+H 128.9517_21.2806 21.2806 128.9517 M+H 155.0035_21.2835 21.2835 155.0035 M+H 155.0035_21.2849 21.2849 155.0035 M+H 220.0402_21.29 21.29 220.0402 M+H 319.964_21.29 21.29 319.964 M+H 153.0078_21.29 21.29 153.0078 M+H 112.968_21.29 21.29 112.968 M+H 96.9616_21.29 21.29 96.9616 M+H 360.991_21.29 21.29 360.991 M+H 139.0074_21.29 21.29 139.0074 M+H 153.0077_21.29 21.29 153.0077 M+H 235.9776_21.29 21.29 235.9776 M+H 408.7879_21.3 21.3 408.7879 M+H 513.8411_21.3 21.3 513.8411 M+H 220.0401_21.3 21.3 220.0401 M+H 319.964_21.3 21.3 319.964 M+H 124.9665_21.3 21.3 124.9665 M+H 160.9902_21.31 21.31 160.9902 M+H 135.9458_21.31 21.31 135.9458 M+H 205.0165_21.31 21.31 205.0165 M+H 218.0444_21.31 21.31 218.0444 M+H 160.9903_21.31 21.31 160.9903 M+H 513.8425_21.31 21.31 513.8425 M+H 74.9529_21.32 21.32 74.9529 M+H 235.9776_21.32 21.32 235.9776 M+H 408.7879_21.32 21.32 408.7879 M+H 201.0093_21.3214 21.3214 201.0093 M+H 201.0093_21.3242 21.3242 201.0093 M+H 177.9931_21.33 21.33 177.9931 M+H 55.9343_21.33 21.33 55.9343 M+H 205.0165_21.33 21.33 205.0165 M+H 118.943_21.34 21.34 118.943 M+H 201.0093_21.34 21.34 201.0093 M+H 100.9326_21.34 21.34 100.9326 M+H 135.9458_21.34 21.34 135.9458 M+H 177.9931_21.34 21.34 177.9931 M+H 235.9776_21.35 21.35 235.9776 M+H 118.943_21.35 21.35 118.943 M+H 100.9326_21.35 21.35 100.9326 M+H 55.9343_21.35 21.35 55.9343 M+H 100.9326_21.36 21.36 100.9326 M+H 287.8894_21.36 21.36 287.8894 M+H 74.9528_21.36 21.36 74.9528 M+H 139.9639_21.38 21.38 139.9639 M+H 185.9856_21.3865 21.3865 185.9856 M+H 183.9893_21.39 21.39 183.9893 M+H 185.9856_21.3943 21.3943 185.9856 M+H 185.9856_21.4 21.4 185.9856 M+H 141.9592_21.41 21.41 141.9592 M+H 139.9639_21.4182 21.4182 139.9639 M+H 141.9592_21.42 21.42 141.9592 M+H 182.9858_21.42 21.42 182.9858 M+H 142.9622_21.42 21.42 142.9622 M+H 139.9639_21.4244 21.4244 139.9639 M+H 185.9856_21.43 21.43 185.9856 M+H 139.9639_21.43 21.43 139.9639 M+H 287.8893_21.43 21.43 287.8893 M+H 142.9622_21.44 21.44 142.9622 M+H 182.9858_21.44 21.44 182.9858 M+H 287.8893_21.45 21.45 287.8893 M+H 193.9308_21.46 21.46 193.9308 M+H 182.9858_21.46 21.46 182.9858 M+H 193.9308_21.48 21.48 193.9308 M+H 182.9858_21.51 21.51 182.9858 M+H 73.945_21.51 21.51 73.945 M+H 73.945_21.52 21.52 73.945 M+H 97.9692_21.52 21.52 97.9692 M+H 73.945_21.5254 21.5254 73.945 M+H 97.9692_21.53 21.53 97.9692 M+H 72.9372_21.53 21.53 72.9372 M+H 73.945_21.5342 21.5342 73.945 M+H 105.9351_21.54 21.54 105.9351 M+H 95.9736_21.55 21.55 95.9736 M+H 97.9692_21.55 21.55 97.9692 M+H 318.9439_21.57 21.57 318.9439 M+H 246.8629_21.57 21.57 246.8629 M+H 95.9736_21.57 21.57 95.9736 M+H 97.9692_21.58 21.58 97.9692 M+H 72.9372_21.59 21.59 72.9372 M+H 318.944_21.59 21.59 318.944 M+H 246.863_21.59 21.59 246.863 M+H 318.9438_21.59 21.59 318.9438 M+H 95.9736_21.6 21.6 95.9736 M+H 318.9438_21.6 21.6 318.9438 M+H 95.9736_21.61 21.61 95.9736 M+H 246.863_21.62 21.62 246.863 M+H 246.863_21.6266 21.6266 246.863 M+H 246.863_21.6294 21.6294 246.863 M+H 95.9736_21.63 21.63 95.9736 M+H 105.9351_21.64 21.64 105.9351 M+H 72.9372_21.64 21.64 72.9372 M+H 72.9372_21.67 21.67 72.9372 M+H 159.9705_21.67 21.67 159.9705 M+H 105.9351_21.68 21.68 105.9351 M+H 113.9642_21.69 21.69 113.9642 M+H 113.9642_21.7 21.7 113.9642 M+H 113.9643_21.7264a 21.7264 113.9643 M+H 113.9643_21.7264b 21.7264 113.9643 M+H 195.037_22.24 22.24 195.037 M+H METABOLITES_END #END