#METABOLOMICS WORKBENCH LautenbergLab_20170214_055519_mwtab.txt DATATRACK_ID:843 STUDY_ID:ST000553 ANALYSIS_ID:AN000846 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 NEGATIVE #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 190.9283_0.54 1070000.00 998000.00 998000.00 988000.00 960000.00 943000.00 146.9383_0.54 731000.00 703000.00 712000.00 712000.00 698000.00 669000.00 206.9726_0.55 482000.00 505000.00 460000.00 481000.00 484000.00 459000.00 174.9561_0.55 3290000.00 3220000.00 2400000.00 3210000.00 3220000.00 3150000.00 180.9736_0.57 276000.00 380000.00 344000.00 371000.00 379000.00 330000.00 112.9855_0.57 1520000.00 1460000.00 1470000.00 1470000.00 1330000.00 1450000.00 157.0528_0.57 64000.00 47300.00 50800.00 53000.00 57500.00 47200.00 154.0617_0.58 109000.00 103000.00 91800.00 87800.00 101000.00 88100.00 180.9735_0.58 149000.00 142000.00 146000.00 147000.00 144000.00 142000.00 112.9855_0.58 712000.00 816000.00 719000.00 715000.00 851000.00 680000.00 102.9569_0.59 711000.00 827000.00 833000.00 806000.00 711000.00 693000.00 104.9538_0.59 232000.00 224000.00 213000.00 221000.00 218000.00 221000.00 112.0515_0.6 561000.00 618000.00 485000.00 572000.00 601000.00 554000.00 157.0534_0.6 280000.00 313000.00 294000.00 293000.00 291000.00 272000.00 278.8294_0.6 218000.00 217000.00 228000.00 218000.00 226000.00 220000.00 92.9277_0.61 2620000.00 2600000.00 2610000.00 2490000.00 2500000.00 2470000.00 94.9247_0.61 1780000.00 1780000.00 1750000.00 1700000.00 1720000.00 1670000.00 197.8077_0.61 3700000.00 5100000.00 5050000.00 5250000.00 5480000.00 5490000.00 195.8109_0.61 4370000.00 4230000.00 4200000.00 4320000.00 4360000.00 4290000.00 199.8048_0.61 1800000.00 2500000.00 2480000.00 2560000.00 2660000.00 2590000.00 110.8985_0.61 225000.00 216000.00 221000.00 222000.00 226000.00 231000.00 108.9013_0.61 309000.00 294000.00 308000.00 298000.00 299000.00 297000.00 96.9216_0.61 262000.00 252000.00 260000.00 248000.00 251000.00 253000.00 162.8389_0.61 2150000.00 734000.00 2070000.00 954000.00 2140000.00 2040000.00 155.0451_0.61 206000.00 213000.00 220000.00 210000.00 210000.00 210000.00 160.8419_0.61 2300000.00 2240000.00 2200000.00 2340000.00 2250000.00 794000.00 336.7878_0.61 65900.00 68700.00 69700.00 71100.00 71200.00 68400.00 145.0618_0.61 163000.00 89600.00 164000.00 169000.00 158000.00 169000.00 179.0561_0.61 866000.00 878000.00 927000.00 956000.00 889000.00 362000.00 357.0288_0.61 825000.00 866000.00 892000.00 870000.00 877000.00 872000.00 154.0621_0.61 65100.00 74300.00 75500.00 69300.00 72600.00 70300.00 300.0386_0.62 112000.00 119000.00 110000.00 110000.00 112000.00 103000.00 219.0451_0.62 315000.00 306000.00 319000.00 297000.00 310000.00 298000.00 253.0074_0.62 167000.00 175000.00 164000.00 172000.00 169000.00 163000.00 217.0307_0.62 2890000.00 2940000.00 2900000.00 2810000.00 2850000.00 2910000.00 92.9281_0.62 7360000.00 7390000.00 7410000.00 7440000.00 7480000.00 7310000.00 94.9251_0.62 4990000.00 5030000.00 4990000.00 4980000.00 5060000.00 4940000.00 96.9221_0.62 780000.00 755000.00 770000.00 775000.00 761000.00 758000.00 560.591_0.62 126000.00 128000.00 130000.00 132000.00 135000.00 132000.00 562.5882_0.62 106000.00 112000.00 108000.00 109000.00 112000.00 111000.00 208.8452_0.62 307000.00 317000.00 320000.00 318000.00 320000.00 305000.00 618.5502_0.62 52500.00 50100.00 52400.00 49600.00 53400.00 49700.00 620.5473_0.62 49300.00 48700.00 49200.00 49300.00 49300.00 50400.00 440.679_0.62 61200.00 63300.00 62400.00 66000.00 64300.00 65800.00 678.5062_0.62 33300.00 32900.00 31100.00 33600.00 31600.00 32800.00 154.8808_0.62 131000.00 129000.00 126000.00 125000.00 135000.00 129000.00 616.5532_0.62 32700.00 31300.00 32200.00 34000.00 32900.00 33000.00 566.5832_0.62 22300.00 22200.00 21900.00 23100.00 23400.00 22300.00 578.562_0.62 92400.00 85500.00 90400.00 93100.00 90600.00 87600.00 446.6706_0.62 113000.00 118000.00 117000.00 118000.00 117000.00 111000.00 558.5938_0.62 86800.00 86200.00 93000.00 90200.00 94300.00 89600.00 330.7536_0.62 105000.00 108000.00 105000.00 108000.00 110000.00 108000.00 504.6295_0.62 110000.00 110000.00 110000.00 111000.00 111000.00 112000.00 414.9871_0.62 525000.00 551000.00 548000.00 544000.00 564000.00 552000.00 284.7745_0.62 255000.00 263000.00 257000.00 264000.00 265000.00 262000.00 286.7717_0.62 177000.00 175000.00 176000.00 176000.00 183000.00 185000.00 110.8991_0.62 142000.00 136000.00 136000.00 137000.00 131000.00 132000.00 282.7774_0.62 155000.00 155000.00 157000.00 160000.00 154000.00 162000.00 108.902_0.62 186000.00 185000.00 187000.00 187000.00 185000.00 187000.00 342.7328_0.62 89100.00 87900.00 93100.00 90500.00 91100.00 90000.00 195.0514_0.6239 4560000.00 4570000.00 4420000.00 4340000.00 4420000.00 4270000.00 195.0514_0.6247 4580000.00 4570000.00 4500000.00 4340000.00 4400000.00 4410000.00 135.0297_0.63 5500000.00 5500000.00 5420000.00 5170000.00 5250000.00 5090000.00 215.0326_0.63 8420000.00 8410000.00 8440000.00 8180000.00 8190000.00 8250000.00 165.0413_0.63 1850000.00 1850000.00 1810000.00 1680000.00 1760000.00 1700000.00 377.0895_0.63 226000.00 226000.00 221000.00 179000.00 185000.00 179000.00 245.0416_0.63 132000.00 128000.00 137000.00 137000.00 116000.00 116000.00 193.034_0.63 265000.00 265000.00 260000.00 242000.00 254000.00 244000.00 268.8009_0.63 1220000.00 1220000.00 1250000.00 1260000.00 1250000.00 1210000.00 270.798_0.63 806000.00 823000.00 826000.00 835000.00 847000.00 832000.00 266.8038_0.63 778000.00 767000.00 786000.00 790000.00 768000.00 770000.00 326.7591_0.63 294000.00 296000.00 292000.00 304000.00 302000.00 311000.00 444.6734_0.63 177000.00 179000.00 176000.00 181000.00 180000.00 179000.00 210.8423_0.63 423000.00 427000.00 431000.00 434000.00 433000.00 436000.00 328.7562_0.63 247000.00 245000.00 242000.00 248000.00 248000.00 250000.00 502.6322_0.63 143000.00 145000.00 145000.00 149000.00 148000.00 145000.00 442.6764_0.63 164000.00 168000.00 162000.00 171000.00 168000.00 162000.00 152.8838_0.63 385000.00 395000.00 401000.00 401000.00 403000.00 400000.00 150.8866_0.63 383000.00 379000.00 389000.00 390000.00 394000.00 375000.00 386.7148_0.63 140000.00 144000.00 157000.00 151000.00 149000.00 147000.00 272.7949_0.63 237000.00 239000.00 247000.00 242000.00 248000.00 240000.00 324.762_0.63 154000.00 155000.00 148000.00 159000.00 160000.00 157000.00 212.8395_0.63 207000.00 201000.00 213000.00 212000.00 208000.00 206000.00 388.7121_0.63 74400.00 77400.00 72800.00 77400.00 79000.00 75300.00 506.6268_0.63 49600.00 49800.00 47900.00 52100.00 51000.00 51600.00 676.5095_0.63 30600.00 30500.00 30700.00 30700.00 32300.00 32900.00 622.545_0.63 29400.00 29000.00 29600.00 29200.00 31000.00 30500.00 680.5036_0.63 22900.00 21000.00 22800.00 23200.00 23500.00 22400.00 500.6351_0.63 115000.00 116000.00 118000.00 115000.00 113000.00 111000.00 384.7176_0.63 149000.00 157000.00 153000.00 155000.00 156000.00 152000.00 313.0649_0.63 4410000.00 4600000.00 4650000.00 4700000.00 4800000.00 4660000.00 179.0558_0.64 2050000.00 2070000.00 2010000.00 1920000.00 1960000.00 1890000.00 191.055_0.64 816000.00 818000.00 783000.00 759000.00 769000.00 740000.00 256.0586_0.64 219000.00 224000.00 224000.00 217000.00 221000.00 221000.00 151.0065_0.64 403000.00 413000.00 414000.00 391000.00 398000.00 392000.00 154.9266_0.64 408000.00 397000.00 380000.00 365000.00 348000.00 338000.00 258.0632_0.64 188000.00 195000.00 190000.00 177000.00 182000.00 172000.00 156.9237_0.64 114000.00 112000.00 105000.00 103000.00 96200.00 100000.00 163.0237_0.64 46800.00 44200.00 41300.00 41800.00 39200.00 39400.00 185.0205_0.64 175000.00 180000.00 183000.00 168000.00 171000.00 169000.00 157.032_0.64 87600.00 88700.00 85900.00 83000.00 81500.00 91800.00 215.0332_0.64 19000000.00 19400000.00 19600000.00 19700000.00 19500000.00 19500000.00 162.8391_0.64 426000.00 247000.00 177000.00 134000.00 88500.00 75000.00 135.0299_0.64 221000.00 233000.00 241000.00 372000.00 242000.00 225000.00 199.038_0.64 181000.00 199000.00 195000.00 189000.00 200000.00 194000.00 164.8364_0.64 138000.00 79000.00 51200.00 39300.00 29700.00 23600.00 351.019_0.64 353000.00 373000.00 384000.00 384000.00 385000.00 384000.00 149.0452_0.65 2450000.00 2480000.00 2440000.00 2330000.00 2310000.00 2260000.00 254.9819_0.65 265000.00 259000.00 252000.00 242000.00 252000.00 250000.00 243.0619_0.65 1170000.00 1200000.00 1160000.00 1150000.00 1140000.00 1160000.00 124.9911_0.65 1740000.00 1750000.00 1720000.00 1600000.00 1600000.00 1600000.00 281.0532_0.65 257000.00 266000.00 268000.00 248000.00 249000.00 250000.00 199.0364_0.65 281000.00 275000.00 280000.00 261000.00 265000.00 272000.00 177.0397_0.65 337000.00 330000.00 335000.00 318000.00 312000.00 309000.00 347.0817_0.65 80700.00 78200.00 76500.00 74800.00 78400.00 70900.00 105.0187_0.65 159000.00 154000.00 151000.00 142000.00 150000.00 151000.00 290.0862_0.65 42800.00 42300.00 41100.00 39900.00 43500.00 40600.00 183.0093_0.65 116000.00 111000.00 125000.00 114000.00 113000.00 117000.00 126.9041_0.65 107000.00 101000.00 100000.00 92400.00 91400.00 87600.00 201.0496_0.65 121000.00 123000.00 123000.00 125000.00 120000.00 114000.00 160.8421_0.65 451000.00 264000.00 182000.00 138000.00 91100.00 77500.00 195.8111_0.65 16900.00 9160.00 6180.00 4930.00 4950.00 3360.00 199.8051_0.65 9780.00 7020.00 4100.00 3050.00 1960.00 2230.00 736.4656_0.65 14700.00 15400.00 15900.00 15100.00 16100.00 15900.00 472.9459_0.65 363000.00 383000.00 386000.00 390000.00 392000.00 392000.00 474.943_0.65 235000.00 241000.00 241000.00 240000.00 242000.00 246000.00 146.0461_0.65 87000.00 83900.00 80600.00 83400.00 85600.00 86700.00 422.9617_0.65 80900.00 15100.00 11300.00 7340.00 6050.00 4710.00 590.8606_0.65 201000.00 205000.00 209000.00 208000.00 213000.00 215000.00 588.864_0.65 162000.00 163000.00 169000.00 171000.00 171000.00 166000.00 648.8197_0.65 136000.00 148000.00 148000.00 154000.00 156000.00 147000.00 530.9051_0.65 226000.00 239000.00 245000.00 253000.00 246000.00 242000.00 532.9017_0.65 220000.00 229000.00 235000.00 246000.00 237000.00 236000.00 126.0155_0.66 290000.00 286000.00 289000.00 287000.00 287000.00 286000.00 197.0221_0.66 180000.00 191000.00 187000.00 169000.00 184000.00 172000.00 87.0083_0.66 409000.00 412000.00 420000.00 388000.00 395000.00 403000.00 144.0299_0.66 251000.00 249000.00 245000.00 241000.00 241000.00 248000.00 137.0341_0.66 353000.00 373000.00 375000.00 349000.00 344000.00 341000.00 197.8079_0.66 22300.00 14100.00 8070.00 6810.00 4820.00 3590.00 335.0472_0.66 2560000.00 2670000.00 2730000.00 2730000.00 2750000.00 2700000.00 393.0052_0.66 814000.00 868000.00 881000.00 883000.00 894000.00 878000.00 395.0028_0.66 270000.00 276000.00 277000.00 282000.00 289000.00 287000.00 167.0212_0.67 9980000.00 9880000.00 9730000.00 9120000.00 9110000.00 8950000.00 173.9866_0.67 3200000.00 3190000.00 3150000.00 2900000.00 2890000.00 2810000.00 335.0488_0.67 1270000.00 1230000.00 1250000.00 1110000.00 1100000.00 1110000.00 188.0021_0.67 1290000.00 1320000.00 1300000.00 1190000.00 1190000.00 1170000.00 224.9801_0.67 497000.00 484000.00 485000.00 466000.00 470000.00 470000.00 357.0306_0.67 185000.00 194000.00 187000.00 181000.00 173000.00 176000.00 286.9744_0.67 207000.00 214000.00 210000.00 185000.00 186000.00 180000.00 163.0606_0.67 287000.00 297000.00 285000.00 273000.00 273000.00 267000.00 187.0701_0.67 229000.00 228000.00 229000.00 213000.00 215000.00 219000.00 209.0199_0.67 71800.00 72000.00 74800.00 64200.00 59100.00 69500.00 133.0137_0.67 138000.00 139000.00 140000.00 127000.00 126000.00 122000.00 269.057_0.67 116000.00 119000.00 124000.00 110000.00 123000.00 117000.00 145.0135_0.67 80100.00 73200.00 76000.00 71600.00 77000.00 73200.00 175.0695_0.67 92300.00 87400.00 90900.00 79600.00 85900.00 79200.00 233.0439_0.67 86100.00 90200.00 87600.00 69000.00 80300.00 70800.00 167.0213_0.67 1060000.00 1060000.00 988000.00 939000.00 863000.00 916000.00 87.0088_0.67 119000.00 128000.00 117000.00 122000.00 120000.00 122000.00 466.9389_0.67 122000.00 132000.00 142000.00 139000.00 136000.00 145000.00 737.0473_0.67 95600.00 100000.00 103000.00 111000.00 109000.00 104000.00 224.9798_0.67 177000.00 177000.00 177000.00 166000.00 99900.00 161000.00 133.014_0.67 84800.00 96800.00 88900.00 98100.00 102000.00 111000.00 715.0653_0.67 102000.00 103000.00 105000.00 111000.00 117000.00 107000.00 606.8345_0.67 122000.00 127000.00 129000.00 135000.00 136000.00 138000.00 119.0351_0.68 5030000.00 5020000.00 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1720000.00 1540000.00 339.1649_1.83 74700.00 75800.00 74400.00 64400.00 63000.00 65500.00 328.1213_1.83 16300.00 7970.00 13600.00 13600.00 14600.00 15000.00 127.0398_1.85 94600.00 85800.00 104000.00 86300.00 90400.00 87200.00 117.0556_1.85 189000.00 179000.00 180000.00 158000.00 148000.00 153000.00 308.077_1.87 220000.00 232000.00 225000.00 197000.00 200000.00 192000.00 117.0557_1.87 1400000.00 1400000.00 1360000.00 1360000.00 1360000.00 1410000.00 258.9922_1.89 810000.00 792000.00 804000.00 869000.00 843000.00 682000.00 182.046_1.92 259000.00 264000.00 279000.00 217000.00 225000.00 216000.00 269.0662_1.92 369000.00 373000.00 367000.00 319000.00 328000.00 319000.00 233.0118_1.92 214000.00 226000.00 201000.00 177000.00 181000.00 164000.00 300.0716_1.92 33300.00 37700.00 39300.00 32900.00 32200.00 31200.00 158.0822_1.93 1390000.00 1470000.00 1460000.00 1250000.00 1270000.00 1270000.00 188.0353_1.93 451000.00 467000.00 457000.00 396000.00 396000.00 387000.00 158.0822_1.95 1430000.00 1520000.00 1510000.00 1300000.00 1310000.00 1320000.00 327.0717_1.96 31300.00 30100.00 29600.00 25000.00 26200.00 25200.00 371.0973_1.97 101000.00 100000.00 99900.00 85300.00 86700.00 85100.00 245.0124_1.98 1180000.00 1250000.00 1240000.00 1060000.00 1070000.00 1060000.00 239.9969_1.98 106000.00 104000.00 135000.00 117000.00 87100.00 77200.00 261.137_2.01 92800.00 392000.00 193000.00 361000.00 146000.00 528000.00 271.1659_2.02 82400.00 348000.00 158000.00 308000.00 140000.00 465000.00 263.1344_2.02 22500.00 114000.00 67800.00 97300.00 40500.00 162000.00 367.1024_2.05 60600.00 62100.00 61600.00 53800.00 55500.00 50100.00 212.0023_2.06 2150000.00 2220000.00 2160000.00 1910000.00 1930000.00 1950000.00 213.0054_2.06 128000.00 130000.00 129000.00 116000.00 113000.00 116000.00 275.0221_2.06 132000.00 137000.00 134000.00 103000.00 115000.00 112000.00 357.0822_2.1 204000.00 211000.00 206000.00 177000.00 170000.00 165000.00 203.0018_2.11 82400.00 80600.00 77300.00 80500.00 81200.00 77600.00 259.0272_2.12 211000.00 205000.00 219000.00 178000.00 179000.00 180000.00 271.0275_2.12 450000.00 438000.00 447000.00 371000.00 388000.00 365000.00 153.0192_2.13 148000.00 154000.00 148000.00 118000.00 130000.00 145000.00 203.001_2.15 630000.00 632000.00 621000.00 526000.00 557000.00 543000.00 129.0556_2.17 109000.00 93000.00 104000.00 81200.00 77700.00 87100.00 457.0327_2.2 67700.00 103000.00 101000.00 107000.00 108000.00 109000.00 129.0557_2.2 2380000.00 2390000.00 2350000.00 2340000.00 2320000.00 2370000.00 508.2875_2.2 84800.00 93600.00 97200.00 85300.00 90000.00 97500.00 254.9281_2.2 69800.00 72100.00 67400.00 69000.00 70200.00 66000.00 248.0958_2.21 58700.00 57600.00 56900.00 49100.00 48600.00 49600.00 314.1059_2.21 83100.00 83000.00 81800.00 75300.00 69600.00 75200.00 379.0902_2.22 248000.00 243000.00 153000.00 154000.00 160000.00 160000.00 590.0857_2.22 173000.00 163000.00 161000.00 158000.00 154000.00 152000.00 226.0178_2.22 70600.00 79800.00 70300.00 60500.00 61200.00 63600.00 206.0458_2.23 242000.00 240000.00 221000.00 196000.00 220000.00 214000.00 476.1123_2.23 90400.00 94000.00 94700.00 79700.00 68900.00 79900.00 675.1384_2.24 317000.00 311000.00 314000.00 311000.00 309000.00 300000.00 391.0329_2.24 82000.00 84200.00 82200.00 71200.00 67600.00 68000.00 276.0272_2.24 130000.00 125000.00 121000.00 129000.00 123000.00 87900.00 178.0512_2.25 47300000.00 47500000.00 47400000.00 45000000.00 45300000.00 45200000.00 357.1086_2.25 3620000.00 3580000.00 3520000.00 3180000.00 3170000.00 3220000.00 134.0612_2.25 1800000.00 1830000.00 1800000.00 1660000.00 1660000.00 1650000.00 230.0128_2.25 1830000.00 1840000.00 1810000.00 1540000.00 1540000.00 1540000.00 464.143_2.25 370000.00 378000.00 366000.00 363000.00 365000.00 359000.00 1099.0514_2.25 162000.00 147000.00 153000.00 151000.00 150000.00 149000.00 470.1557_2.25 75700.00 76100.00 75500.00 61300.00 61700.00 57600.00 178.051_2.26 446000.00 439000.00 422000.00 427000.00 443000.00 434000.00 442.161_2.27 367000.00 357000.00 350000.00 305000.00 308000.00 309000.00 242.0127_2.28 454000.00 477000.00 472000.00 398000.00 394000.00 399000.00 244.0283_2.28 83600.00 79800.00 84300.00 69700.00 68700.00 72300.00 263.1037_2.29 47100000.00 47500000.00 47600000.00 44300000.00 44600000.00 44600000.00 527.2143_2.29 10900000.00 11100000.00 10900000.00 9230000.00 9230000.00 9300000.00 145.0618_2.29 923000.00 944000.00 931000.00 839000.00 864000.00 862000.00 361.0773_2.29 387000.00 384000.00 382000.00 338000.00 331000.00 329000.00 273.0081_2.29 266000.00 284000.00 292000.00 209000.00 206000.00 232000.00 760.1911_2.29 274000.00 265000.00 272000.00 257000.00 252000.00 252000.00 1079.3925_2.29 116000.00 111000.00 115000.00 93900.00 90300.00 102000.00 246.0385_2.2955 318000.00 258000.00 268000.00 302000.00 292000.00 290000.00 246.0385_2.297 295000.00 290000.00 295000.00 285000.00 278000.00 281000.00 549.1959_2.3 457000.00 469000.00 455000.00 411000.00 415000.00 411000.00 845.2438_2.3 321000.00 327000.00 317000.00 278000.00 276000.00 277000.00 1108.3454_2.3 50100.00 55200.00 47200.00 43200.00 41900.00 42000.00 829.2713_2.3 58600.00 58500.00 55400.00 49100.00 51000.00 51400.00 263.1035_2.3 305000.00 312000.00 300000.00 314000.00 309000.00 317000.00 151.04_2.33 124000.00 133000.00 131000.00 117000.00 115000.00 124000.00 137.0242_2.34 67000.00 67900.00 61100.00 62300.00 63200.00 63200.00 263.0251_2.37 192000.00 215000.00 206000.00 153000.00 173000.00 164000.00 175.0613_2.4 982000.00 1020000.00 1030000.00 870000.00 880000.00 868000.00 277.9751_2.4 106000.00 117000.00 112000.00 111000.00 111000.00 113000.00 222.0407_2.45 110000.00 113000.00 114000.00 87600.00 103000.00 88700.00 203.002_2.49 5210000.00 5250000.00 5320000.00 4470000.00 4410000.00 4460000.00 371.0972_2.49 140000.00 144000.00 145000.00 119000.00 125000.00 123000.00 397.1702_2.49 38000.00 38800.00 37900.00 36000.00 35900.00 37600.00 1124.0021_2.5 301000.00 285000.00 297000.00 255000.00 261000.00 257000.00 203.0017_2.5 168000.00 169000.00 169000.00 166000.00 165000.00 162000.00 666.3572_2.5 47700.00 45600.00 46000.00 50600.00 53900.00 51700.00 383.1913_2.51 82800.00 81200.00 82700.00 69900.00 72200.00 75200.00 129.0556_2.56 109000.00 89500.00 113000.00 91400.00 96000.00 90700.00 165.0193_2.56 1520000.00 1510000.00 1520000.00 1500000.00 1510000.00 1530000.00 241.1192_2.57 680000.00 688000.00 688000.00 588000.00 576000.00 588000.00 129.0557_2.57 3670000.00 3660000.00 3610000.00 3610000.00 3580000.00 3650000.00 274.9858_2.57 71500.00 69800.00 65500.00 69300.00 62800.00 61700.00 254.928_2.57 71300.00 72200.00 72200.00 73800.00 70800.00 76800.00 121.0295_2.59 289000.00 286000.00 279000.00 284000.00 281000.00 285000.00 261.0878_2.67 559000.00 585000.00 573000.00 478000.00 486000.00 483000.00 415.033_2.7 89600.00 87700.00 89400.00 79900.00 77300.00 74200.00 206.9728_2.7 373000.00 387000.00 389000.00 418000.00 391000.00 398000.00 256.9548_2.71 257000.00 254000.00 262000.00 281000.00 286000.00 274000.00 245.0122_2.78 72000.00 74000.00 71200.00 57600.00 62900.00 59800.00 153.0191_2.78 223000.00 242000.00 236000.00 193000.00 196000.00 183000.00 194.0459_2.83 436000.00 458000.00 448000.00 376000.00 375000.00 390000.00 Vanillic acid 91000.00 78500.00 66800.00 74600.00 59700.00 47600.00 242.0126_2.84 159000.00 160000.00 160000.00 128000.00 117000.00 130000.00 203.0019_2.85 910000.00 915000.00 942000.00 768000.00 733000.00 787000.00 187.007_2.86 329000.00 331000.00 331000.00 276000.00 275000.00 276000.00 159.0662_2.88 791000.00 823000.00 833000.00 642000.00 674000.00 677000.00 302.1141_2.89 982000.00 997000.00 1000000.00 839000.00 850000.00 838000.00 180.0666_2.89 380000.00 392000.00 386000.00 327000.00 321000.00 327000.00 Biotin 22800.00 25400.00 25900.00 20700.00 19000.00 22500.00 192.0665_2.9 70000.00 87300.00 67900.00 73400.00 73200.00 68800.00 188.0928_2.92 150000.00 151000.00 148000.00 123000.00 136000.00 125000.00 Caffeic acid 20000.00 27900.00 26200.00 19300.00 21900.00 23800.00 107.0502_2.95 216000.00 219000.00 216000.00 188000.00 186000.00 187000.00 328.0484_3.01 27500.00 28800.00 28600.00 23600.00 22300.00 25000.00 257.0117_3.03 79900.00 80800.00 81600.00 70300.00 75800.00 71900.00 369.0817_3.04 83600.00 81100.00 85100.00 74300.00 71200.00 71700.00 250.0718_3.1 740000.00 741000.00 731000.00 637000.00 636000.00 613000.00 371.0971_3.11 60400.00 61500.00 60300.00 52700.00 53200.00 54300.00 241.1193_3.12 1490000.00 1510000.00 1500000.00 1330000.00 1330000.00 1320000.00 230.9968_3.12 257000.00 259000.00 256000.00 221000.00 217000.00 215000.00 208.0614_3.14 173000.00 172000.00 170000.00 137000.00 147000.00 154000.00 202.0542_3.15 72000.00 75300.00 73800.00 64400.00 63900.00 63300.00 230.9968_3.16 80400.00 83300.00 85300.00 81600.00 79300.00 83200.00 1108.008_3.23 1830000.00 1800000.00 1760000.00 1680000.00 1680000.00 1650000.00 187.0072_3.24 71500000.00 71400000.00 71900000.00 66400000.00 66300000.00 66100000.00 107.0502_3.24 295000.00 318000.00 305000.00 250000.00 264000.00 231000.00 420.0782_3.24 218000.00 215000.00 222000.00 185000.00 192000.00 197000.00 616.954_3.24 116000.00 121000.00 122000.00 74400.00 83400.00 78000.00 526.2582_3.24 1070.00 343000.00 30000.00 13600.00 126000.00 158000.00 397.0028_3.25 1980000.00 1930000.00 1930000.00 1870000.00 1850000.00 1820000.00 332.9365_3.25 362000.00 353000.00 357000.00 331000.00 317000.00 311000.00 474.945_3.25 156000.00 164000.00 161000.00 131000.00 125000.00 123000.00 375.0204_3.25 155000.00 152000.00 152000.00 118000.00 133000.00 131000.00 569.049_3.25 73600.00 71200.00 69800.00 53200.00 49400.00 50600.00 1109.0107_3.25 457000.00 459000.00 448000.00 427000.00 428000.00 418000.00 254.9942_3.26 169000.00 165000.00 164000.00 163000.00 158000.00 160000.00 Leucyl-leucine 36500.00 33000.00 39200.00 33900.00 37600.00 39500.00 397.0023_3.28 111000.00 99700.00 120000.00 94900.00 99400.00 108000.00 187.0071_3.29 12100000.00 12100000.00 12200000.00 11700000.00 11800000.00 11700000.00 1108.0078_3.29 775000.00 775000.00 792000.00 760000.00 770000.00 770000.00 217.0174_3.3 162000.00 163000.00 166000.00 140000.00 139000.00 139000.00 526.2582_3.32 88300.00 495000.00 224000.00 404000.00 154000.00 618000.00 384.2494_3.32 36700.00 127000.00 79200.00 136000.00 58800.00 171000.00 585.018_3.43 218000.00 221000.00 238000.00 174000.00 174000.00 182000.00 583.0205_3.43 206000.00 219000.00 227000.00 171000.00 161000.00 164000.00 137.0242_3.49 113000.00 114000.00 118000.00 98800.00 99300.00 105000.00 254.9953_3.49 793000.00 789000.00 769000.00 693000.00 692000.00 692000.00 441.1962_3.51 20400.00 20200.00 19300.00 17900.00 19400.00 20700.00 Riboflavin 34900.00 21100.00 30300.00 26100.00 24500.00 28200.00 151.0399_3.53 144000.00 146000.00 136000.00 107000.00 116000.00 110000.00 427.2176_3.54 73700.00 74000.00 75000.00 62500.00 62200.00 67100.00 313.0552_3.54 33200.00 34200.00 33800.00 27900.00 25900.00 29500.00 295.1292_3.58 182000.00 167000.00 176000.00 149000.00 139000.00 132000.00 175.0249_3.59 75800.00 78100.00 76900.00 65400.00 67600.00 74200.00 273.0076_3.61 218000.00 252000.00 234000.00 185000.00 190000.00 211000.00 264.0873_3.61 236000.00 251000.00 247000.00 214000.00 221000.00 210000.00 171.0662_3.63 184000.00 183000.00 174000.00 147000.00 144000.00 155000.00 245.0485_3.64 124000.00 141000.00 118000.00 121000.00 78400.00 123000.00 193.0354_3.66 214000.00 223000.00 229000.00 187000.00 194000.00 188000.00 336.0717_3.7 511000.00 511000.00 515000.00 433000.00 438000.00 431000.00 192.0665_3.78 140000.00 152000.00 149000.00 123000.00 123000.00 119000.00 190.0509_3.82 219000.00 208000.00 186000.00 177000.00 174000.00 156000.00 259.1292_3.86 116000.00 114000.00 146000.00 119000.00 124000.00 83000.00 350.0874_3.88 2680000.00 2660000.00 2720000.00 2280000.00 2280000.00 2290000.00 194.046_4.06 3720000.00 3770000.00 3750000.00 3120000.00 3100000.00 3140000.00 389.098_4.06 13600.00 13400.00 14000.00 11100.00 9130.00 10200.00 443.0168_4.06 10500.00 9630.00 12100.00 7860.00 7870.00 8050.00 150.0559_4.07 158000.00 155000.00 155000.00 139000.00 163000.00 112000.00 411.0804_4.07 11000.00 12400.00 12500.00 8250.00 8270.00 9860.00 1115.0456_4.07 20200.00 20800.00 21400.00 17300.00 15500.00 16600.00 247.9648_4.07 75500.00 74900.00 72800.00 69200.00 62700.00 65200.00 413.0564_4.07 4880.00 5260.00 3740.00 3130.00 2850.00 3420.00 216.0275_4.08 31400.00 31100.00 32800.00 30000.00 29800.00 31700.00 292.9627_4.08 34300.00 34900.00 33300.00 28100.00 30900.00 28600.00 338.0872_4.2 137000.00 137000.00 141000.00 110000.00 117000.00 122000.00 172.0977_4.29 229000.00 237000.00 235000.00 197000.00 204000.00 200000.00 367.1025_4.32 97900.00 103000.00 102000.00 73400.00 103000.00 110000.00 162.0229_4.37 80500.00 64800.00 62400.00 69800.00 67900.00 68600.00 471.2436_4.38 66400.00 65900.00 67700.00 58500.00 60900.00 59300.00 485.2226_4.38 16300.00 18100.00 17200.00 15700.00 15200.00 15900.00 416.1199_4.41 193000.00 195000.00 198000.00 162000.00 160000.00 161000.00 131.0712_4.41 79500.00 78000.00 68000.00 66300.00 72300.00 75100.00 Dimethylallylaminopurine 229000.00 233000.00 248000.00 207000.00 198000.00 200000.00 7060.00 6830.00 5030.00 6040.00 5620.00 4870.00 215.002_4.42 399000.00 415000.00 428000.00 348000.00 356000.00 352000.00 182.0822_4.42 386000.00 394000.00 397000.00 349000.00 355000.00 344000.00 215.0024_4.43 49400.00 46500.00 47000.00 44500.00 47700.00 46000.00 370.0955_4.45 443000.00 470000.00 464000.00 370000.00 384000.00 384000.00 283.0819_4.47 4900000.00 4990000.00 5020000.00 4240000.00 4220000.00 4200000.00 351.0688_4.47 94100.00 94100.00 104000.00 80300.00 81300.00 80200.00 567.1707_4.47 88100.00 102000.00 98600.00 73300.00 67200.00 71500.00 383.0067_4.47 78200.00 78900.00 75400.00 66300.00 68800.00 67300.00 259.027_4.52 145000.00 151000.00 144000.00 136000.00 127000.00 129000.00 215.0922_4.52 91700.00 92200.00 90900.00 82100.00 80100.00 80700.00 202.0541_4.52 95800.00 89300.00 91400.00 72500.00 79900.00 79300.00 127.0763_4.53 137000.00 149000.00 160000.00 121000.00 127000.00 128000.00 183.0665_4.53 49300.00 53200.00 56400.00 44100.00 40500.00 44700.00 171.0662_4.54 386000.00 393000.00 389000.00 338000.00 338000.00 342000.00 515.2696_4.54 39500.00 37500.00 39000.00 35000.00 33800.00 33600.00 295.1295_4.54 78100.00 82000.00 79600.00 68100.00 68600.00 62700.00 170.0821_4.56 313000.00 321000.00 319000.00 269000.00 277000.00 266000.00 243.1347_4.57 1070000.00 1060000.00 1070000.00 888000.00 879000.00 885000.00 367.1024_4.57 69300.00 70600.00 69100.00 60500.00 63400.00 77200.00 259.1182_4.57 84600.00 83700.00 88000.00 79000.00 76800.00 74400.00 Acetyl-L-Leucine 94400.00 99500.00 87500.00 82400.00 89400.00 86200.00 8070.00 8140.00 8000.00 7730.00 8790.00 7660.00 195.0659_4.6 90200.00 82200.00 94500.00 77900.00 66100.00 72500.00 245.0483_4.6 106000.00 108000.00 110000.00 90600.00 89400.00 88700.00 247.082_4.61 293000.00 289000.00 297000.00 241000.00 233000.00 251000.00 413.1443_4.62 277000.00 281000.00 286000.00 241000.00 239000.00 233000.00 452.1155_4.62 93000.00 90700.00 94200.00 81500.00 81100.00 78000.00 559.2958_4.64 22300.00 19900.00 20300.00 19300.00 18900.00 17700.00 172.0977_4.65 71800.00 75800.00 75200.00 60300.00 65900.00 65100.00 372.1115_4.66 1350000.00 1350000.00 1360000.00 1130000.00 1130000.00 1130000.00 157.0504_4.66 107000.00 107000.00 109000.00 92400.00 91000.00 95100.00 368.0801_4.67 222000.00 219000.00 217000.00 190000.00 185000.00 191000.00 403.066_4.67 25300.00 26100.00 24300.00 19400.00 23500.00 21400.00 257.1137_4.67 211000.00 214000.00 202000.00 165000.00 170000.00 178000.00 213.0766_4.68 76800.00 84400.00 76300.00 66600.00 71500.00 73500.00 226.0177_4.68 450000.00 429000.00 437000.00 389000.00 377000.00 392000.00 226.0178_4.68 107000.00 103000.00 111000.00 111000.00 109000.00 99100.00 215.0923_4.69 79000.00 73200.00 84100.00 61200.00 66400.00 66800.00 281.1137_4.73 185000.00 185000.00 188000.00 160000.00 157000.00 146000.00 766.8352_4.73 153000.00 148000.00 145000.00 148000.00 148000.00 148000.00 383.0977_4.74 37800.00 36300.00 35500.00 32900.00 33300.00 31800.00 162.0228_4.74 205000.00 206000.00 212000.00 180000.00 182000.00 183000.00 261.0366_4.74 162000.00 161000.00 162000.00 133000.00 136000.00 129000.00 325.0374_4.75 10100.00 11400.00 11600.00 10700.00 10100.00 11200.00 232.9958_4.75 145000.00 143000.00 155000.00 129000.00 131000.00 134000.00 201.1132_4.76 803000.00 822000.00 822000.00 698000.00 738000.00 728000.00 283.0273_4.76 195000.00 200000.00 212000.00 174000.00 176000.00 179000.00 379.1024_4.76 35500.00 35600.00 35200.00 27500.00 28400.00 29100.00 361.1128_4.76 24700.00 21400.00 22700.00 23700.00 20000.00 23300.00 396.1287_4.76 98200.00 94100.00 97900.00 83300.00 83700.00 80400.00 263.113_4.77 141000.00 139000.00 143000.00 118000.00 115000.00 118000.00 297.0969_4.79 97600.00 91600.00 99400.00 77600.00 74800.00 76100.00 207.0101_4.79 14600.00 9470.00 10300.00 7370.00 3930.00 5150.00 165.0558_4.8 291000.00 285000.00 281000.00 205000.00 253000.00 252000.00 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113000.00 452.1914_5.75 137000.00 132000.00 137000.00 117000.00 112000.00 111000.00 433.2064_5.75 76900.00 75500.00 73100.00 66300.00 62400.00 60400.00 343.0848_5.76 482000.00 494000.00 488000.00 400000.00 411000.00 394000.00 197.0817_5.76 281000.00 293000.00 294000.00 247000.00 250000.00 243000.00 153.0919_5.76 70300.00 66300.00 74800.00 61600.00 56500.00 58600.00 383.1528_5.77 1290000.00 1230000.00 1280000.00 1110000.00 1120000.00 1110000.00 383.1525_5.77 320000.00 322000.00 309000.00 304000.00 308000.00 309000.00 339.1076_5.78 147000.00 149000.00 148000.00 124000.00 119000.00 119000.00 Salicylic acid 469000.00 464000.00 469000.00 433000.00 436000.00 446000.00 1310000.00 1320000.00 1300000.00 1290000.00 1290000.00 1300000.00 600.2841_5.79 579000.00 563000.00 562000.00 498000.00 493000.00 495000.00 443.1755_5.79 86300.00 92300.00 83600.00 72000.00 76900.00 67900.00 213.0151_5.79 733000.00 750000.00 752000.00 734000.00 732000.00 731000.00 352.0852_5.8 4700000.00 4620000.00 4700000.00 4160000.00 4110000.00 4090000.00 421.0584_5.8 351000.00 334000.00 349000.00 306000.00 299000.00 296000.00 425.1805_5.8 82900.00 90500.00 79800.00 72200.00 71200.00 71300.00 137.0242_5.82 450000.00 445000.00 460000.00 420000.00 421000.00 434000.00 93.0345_5.82 25200.00 24600.00 28300.00 22100.00 18900.00 21000.00 222.0018_5.82 5960.00 5440.00 5640.00 5120.00 6010.00 5430.00 439.1603_5.83 1220000.00 1240000.00 1250000.00 1080000.00 1080000.00 1060000.00 405.176_5.83 623000.00 637000.00 632000.00 544000.00 552000.00 537000.00 243.1234_5.83 494000.00 646000.00 507000.00 422000.00 426000.00 425000.00 462.1759_5.83 237000.00 301000.00 303000.00 207000.00 200000.00 260000.00 1058.0242_5.83 11600.00 10100.00 10900.00 9140.00 9460.00 9220.00 297.035_5.83 12300.00 11300.00 6330.00 10000.00 6210.00 6260.00 137.0243_5.83 1290000.00 1300000.00 1280000.00 1270000.00 1280000.00 1280000.00 93.0344_5.83 50900.00 52800.00 46800.00 46600.00 53000.00 47500.00 222.0018_5.83 38200.00 35400.00 35700.00 37600.00 36000.00 37800.00 1058.0244_5.83 23300.00 25400.00 22000.00 24200.00 22500.00 22000.00 187.0976_5.84 2210000.00 2260000.00 2250000.00 1870000.00 1870000.00 1790000.00 180.9892_5.84 640000.00 617000.00 635000.00 636000.00 642000.00 640000.00 187.0975_5.84 179000.00 194000.00 187000.00 159000.00 152000.00 158000.00 554.2608_5.84 12100.00 52900.00 25800.00 46700.00 19800.00 66000.00 452.1914_5.85 146000.00 152000.00 151000.00 128000.00 133000.00 127000.00 180.9892_5.85 653000.00 626000.00 651000.00 653000.00 656000.00 654000.00 401.1451_5.85 65900.00 69700.00 67900.00 59400.00 60800.00 53900.00 192.9904_5.85 1070000.00 1060000.00 1060000.00 1070000.00 1070000.00 1060000.00 387.1656_5.86 358000.00 363000.00 359000.00 307000.00 376000.00 296000.00 299.0128_5.86 33600.00 31500.00 36100.00 31500.00 31200.00 28400.00 225.0762_5.86 88900.00 98000.00 89500.00 83000.00 83500.00 82100.00 192.9903_5.8693 979000.00 997000.00 978000.00 957000.00 969000.00 956000.00 403.1032_5.87 95200.00 93500.00 95400.00 84900.00 80300.00 77800.00 385.1649_5.87 152000.00 144000.00 146000.00 126000.00 127000.00 126000.00 192.9903_5.8702 949000.00 969000.00 948000.00 929000.00 936000.00 927000.00 245.139_5.88 233000.00 231000.00 235000.00 197000.00 194000.00 185000.00 362.1796_5.88 98900.00 99400.00 103000.00 83300.00 81300.00 80900.00 347.0755_5.88 95100.00 87500.00 87100.00 76000.00 78000.00 77700.00 539.2487_5.88 73600.00 67100.00 66200.00 61600.00 58900.00 61000.00 180.9887_5.88 560000.00 561000.00 556000.00 554000.00 559000.00 537000.00 269.1502_5.89 3880000.00 3910000.00 4010000.00 3480000.00 3530000.00 3500000.00 397.1496_5.89 1660000.00 1690000.00 1720000.00 1530000.00 1510000.00 1490000.00 509.238_5.89 54600.00 54500.00 55500.00 49700.00 49200.00 48000.00 165.0919_5.9 103000.00 75100.00 112000.00 94500.00 92100.00 78000.00 332.1457_5.9 67100.00 65300.00 66100.00 53800.00 56000.00 55300.00 337.1371_5.9 64900.00 63300.00 55800.00 61400.00 55200.00 58200.00 541.264_5.91 1270000.00 1290000.00 1280000.00 1120000.00 1130000.00 1110000.00 231.0319_5.91 110000.00 111000.00 106000.00 87700.00 90500.00 88500.00 315.107_5.91 176000.00 184000.00 188000.00 164000.00 153000.00 159000.00 182.989_5.91 541000.00 616000.00 570000.00 552000.00 594000.00 595000.00 541.2642_5.91 52000.00 53400.00 56700.00 50100.00 46900.00 51600.00 357.1005_5.92 174000.00 174000.00 170000.00 139000.00 138000.00 139000.00 445.2058_5.92 159000.00 151000.00 164000.00 130000.00 133000.00 133000.00 247.1544_5.93 61700.00 67600.00 65500.00 59000.00 58200.00 57700.00 345.1547_5.94 5950000.00 6030000.00 5960000.00 5180000.00 5250000.00 5290000.00 691.3167_5.94 133000.00 149000.00 142000.00 100000.00 107000.00 101000.00 182.9891_5.95 535000.00 507000.00 513000.00 520000.00 526000.00 512000.00 323.0539_5.95 97000.00 107000.00 97600.00 78000.00 85300.00 87100.00 413.1448_5.97 153000.00 155000.00 153000.00 139000.00 144000.00 132000.00 413.1975_5.98 136000.00 130000.00 133000.00 111000.00 106000.00 113000.00 240.9827_5.98 234000.00 245000.00 233000.00 197000.00 214000.00 197000.00 462.1759_5.98 71100.00 71400.00 67100.00 56000.00 62300.00 55900.00 350.0694_6.02 137000.00 133000.00 128000.00 119000.00 110000.00 109000.00 276.9934_6.02 1070000.00 963000.00 1060000.00 1040000.00 1040000.00 1020000.00 437.0518_6.04 64000.00 67200.00 69500.00 61700.00 61100.00 57000.00 539.249_6.05 1090000.00 1120000.00 1100000.00 912000.00 925000.00 913000.00 495.2225_6.05 168000.00 157000.00 166000.00 143000.00 143000.00 148000.00 276.993_6.05 978000.00 798000.00 965000.00 961000.00 954000.00 945000.00 453.1755_6.08 168000.00 167000.00 165000.00 142000.00 143000.00 141000.00 431.2252_6.08 88200.00 88300.00 91500.00 76600.00 73100.00 72300.00 211.0967_6.08 58600.00 61300.00 62800.00 9400.00 8550.00 8360.00 203.1286_6.09 144000.00 149000.00 151000.00 104000.00 96200.00 91700.00 387.1663_6.11 546000.00 569000.00 550000.00 467000.00 482000.00 461000.00 411.1998_6.11 341000.00 347000.00 265000.00 292000.00 297000.00 287000.00 283.118_6.11 235000.00 239000.00 229000.00 194000.00 195000.00 194000.00 387.1664_6.11 528000.00 543000.00 550000.00 450000.00 212000.00 452000.00 479.2274_6.11 98600.00 103000.00 103000.00 87200.00 84600.00 85600.00 525.2692_6.12 199000.00 245000.00 199000.00 158000.00 161000.00 162000.00 199.0976_6.12 771000.00 792000.00 800000.00 679000.00 686000.00 687000.00 227.0376_6.13 150000.00 153000.00 156000.00 121000.00 134000.00 127000.00 407.2063_6.13 98300.00 88900.00 91600.00 88500.00 92800.00 92600.00 347.1701_6.16 251000.00 256000.00 258000.00 216000.00 216000.00 215000.00 224.9971_6.16 724000.00 732000.00 718000.00 705000.00 711000.00 698000.00 273.1699_6.17 151000.00 147000.00 156000.00 124000.00 115000.00 126000.00 323.0118_6.17 1480000.00 1490000.00 1480000.00 1450000.00 1450000.00 1460000.00 198.1134_6.18 531000.00 544000.00 555000.00 469000.00 478000.00 479000.00 245.139_6.18 69800.00 87100.00 109000.00 86200.00 87500.00 83800.00 385.1669_6.19 155000.00 147000.00 150000.00 117000.00 122000.00 115000.00 218.082_6.19 94600.00 94000.00 92900.00 82500.00 75500.00 78700.00 500.2792_6.2 1310.00 651.00 1480.00 916.00 709.00 303.00 481.2431_6.21 729000.00 717000.00 727000.00 627000.00 635000.00 616000.00 431.192_6.21 127000.00 139000.00 193000.00 111000.00 130000.00 97200.00 361.1494_6.21 116000.00 107000.00 111000.00 92100.00 96400.00 75400.00 317.1233_6.22 520000.00 520000.00 527000.00 440000.00 451000.00 455000.00 269.1498_6.22 260000.00 247000.00 261000.00 220000.00 220000.00 223000.00 378.1006_6.22 330000.00 332000.00 350000.00 297000.00 301000.00 305000.00 442.1893_6.22 118000.00 116000.00 122000.00 91800.00 95200.00 98800.00 479.2276_6.23 261000.00 269000.00 258000.00 224000.00 225000.00 227000.00 177.1283_6.23 88200.00 88000.00 87400.00 79400.00 79400.00 78600.00 509.274_6.23 98800.00 104000.00 98400.00 84100.00 87000.00 82000.00 239.093_6.23 110000.00 110000.00 112000.00 98800.00 103000.00 97800.00 221.1179_6.23 66500.00 70400.00 67500.00 61600.00 71100.00 64500.00 179.1075_6.24 59000.00 62000.00 56400.00 49100.00 50300.00 46900.00 223.0971_6.25 131000.00 127000.00 121000.00 116000.00 111000.00 102000.00 323.0116_6.25 1730000.00 1730000.00 1690000.00 1680000.00 1670000.00 1630000.00 228.992_6.26 825000.00 835000.00 821000.00 720000.00 823000.00 809000.00 175.0239_6.27 142000.00 149000.00 145000.00 128000.00 125000.00 135000.00 267.1232_6.27 61600.00 65300.00 69300.00 55700.00 57700.00 58100.00 247.001_6.27 791000.00 797000.00 775000.00 781000.00 768000.00 763000.00 405.118_6.28 4220000.00 4310000.00 4290000.00 3740000.00 3790000.00 3730000.00 369.1732_6.28 396000.00 396000.00 384000.00 355000.00 345000.00 352000.00 228.9923_6.28 614000.00 698000.00 689000.00 671000.00 708000.00 670000.00 369.1731_6.29 515000.00 526000.00 519000.00 497000.00 509000.00 512000.00 Indole-3-carboxylic acid 26400.00 26700.00 27400.00 23500.00 25500.00 25200.00 193.0346_6.3 166000.00 166000.00 165000.00 139000.00 133000.00 144000.00 473.1053_6.3 145000.00 149000.00 142000.00 125000.00 129000.00 121000.00 207.0657_6.3 428000.00 425000.00 429000.00 414000.00 417000.00 416000.00 413.198_6.31 494000.00 495000.00 482000.00 424000.00 426000.00 408000.00 505.0412_6.31 59200.00 59100.00 61400.00 56800.00 50700.00 54600.00 541.2643_6.32 1210000.00 1210000.00 1200000.00 1040000.00 1090000.00 1050000.00 413.1992_6.32 425000.00 425000.00 417000.00 400000.00 406000.00 389000.00 308.9987_6.32 1430000.00 1450000.00 1420000.00 1420000.00 1380000.00 1410000.00 389.1805_6.34 352000.00 344000.00 344000.00 298000.00 278000.00 264000.00 308.9988_6.34 1490000.00 1460000.00 1450000.00 1430000.00 1430000.00 1420000.00 453.2148_6.34 82500.00 77400.00 79400.00 67500.00 63800.00 67100.00 539.249_6.35 777000.00 782000.00 784000.00 671000.00 664000.00 660000.00 425.1807_6.36 72000.00 66900.00 72200.00 61700.00 60100.00 61000.00 229.0536_6.37 224000.00 226000.00 209000.00 215000.00 220000.00 229000.00 433.2068_6.38 577000.00 588000.00 572000.00 459000.00 462000.00 466000.00 527.2126_6.38 61400.00 62900.00 68600.00 50600.00 55600.00 54200.00 229.0536_6.39 537000.00 538000.00 546000.00 460000.00 471000.00 484000.00 Sebacic acid 560000.00 549000.00 554000.00 418000.00 432000.00 472000.00 41000.00 37900.00 44800.00 37400.00 37000.00 38900.00 339.1074_6.41 51800.00 51700.00 50200.00 43300.00 44100.00 41600.00 201.113_6.42 547000.00 551000.00 558000.00 443000.00 452000.00 472000.00 511.2544_6.43 112000.00 114000.00 117000.00 95200.00 101000.00 94100.00 464.3003_6.43 65700.00 66200.00 66900.00 52100.00 57400.00 58200.00 191.1077_6.44 5090000.00 5110000.00 5080000.00 4540000.00 4540000.00 4640000.00 235.0974_6.44 2810000.00 2790000.00 2780000.00 2500000.00 2530000.00 2540000.00 471.2016_6.44 933000.00 961000.00 952000.00 738000.00 778000.00 774000.00 281.1026_6.44 777000.00 772000.00 758000.00 673000.00 696000.00 676000.00 73.0294_6.44 594000.00 600000.00 623000.00 545000.00 561000.00 554000.00 378.1005_6.44 231000.00 237000.00 247000.00 197000.00 211000.00 205000.00 341.1232_6.44 523000.00 536000.00 539000.00 458000.00 469000.00 444000.00 335.0185_6.44 186000.00 174000.00 186000.00 185000.00 174000.00 178000.00 380.0192_6.44 76900.00 78700.00 75400.00 70200.00 76800.00 69200.00 257.079_6.45 354000.00 359000.00 346000.00 320000.00 322000.00 322000.00 493.1833_6.45 164000.00 176000.00 171000.00 136000.00 147000.00 141000.00 191.1076_6.45 189000.00 193000.00 185000.00 183000.00 183000.00 189000.00 235.0973_6.45 95600.00 94400.00 97000.00 88900.00 93700.00 88900.00 526.2473_6.47 125000.00 119000.00 129000.00 102000.00 101000.00 106000.00 189.0918_6.48 175000.00 170000.00 170000.00 150000.00 156000.00 160000.00 213.113_6.49 591000.00 599000.00 603000.00 519000.00 517000.00 501000.00 507.2078_6.49 141000.00 143000.00 138000.00 112000.00 121000.00 120000.00 Dehydroepiandrostero?ne sulfate 2500000.00 2470000.00 2500000.00 2100000.00 2120000.00 2180000.00 6020000.00 6070000.00 6010000.00 5780000.00 5970000.00 5860000.00 355.0147_6.53 1860000.00 1850000.00 1810000.00 1790000.00 1800000.00 1790000.00 220.0976_6.55 39400.00 38300.00 37500.00 31700.00 33800.00 33800.00 367.1576_6.56 2470000.00 2440000.00 2480000.00 2070000.00 2090000.00 2150000.00 481.2428_6.56 67100.00 78200.00 70700.00 67200.00 67600.00 67800.00 327.1439_6.56 104000.00 126000.00 110000.00 100000.00 84300.00 91800.00 355.0149_6.56 1740000.00 1730000.00 1690000.00 1680000.00 1680000.00 1670000.00 367.1578_6.56 6030000.00 6070000.00 6020000.00 5790000.00 5980000.00 5870000.00 452.1349_6.56 189000.00 186000.00 181000.00 173000.00 176000.00 172000.00 435.1447_6.56 160000.00 165000.00 166000.00 161000.00 165000.00 165000.00 244.9077_6.58 58800.00 59300.00 58700.00 55800.00 57900.00 60200.00 427.1952_6.62 201000.00 201000.00 215000.00 153000.00 145000.00 157000.00 319.139_6.62 2350000.00 2400000.00 2390000.00 2070000.00 2120000.00 2110000.00 387.1258_6.62 70800.00 74300.00 75200.00 66700.00 63800.00 62900.00 525.2688_6.62 68800.00 69300.00 72600.00 58300.00 62900.00 59400.00 355.0151_6.62 1630000.00 1620000.00 1610000.00 1580000.00 1580000.00 1590000.00 429.2093_6.63 103000.00 92300.00 101000.00 86000.00 84900.00 85200.00 175.0237_6.64 106000.00 102000.00 108000.00 89700.00 84400.00 86300.00 467.1908_6.65 125000.00 125000.00 127000.00 102000.00 103000.00 110000.00 411.2014_6.67 171000.00 201000.00 248000.00 145000.00 154000.00 143000.00 283.1655_6.67 84200.00 79700.00 80900.00 70300.00 77100.00 73900.00 273.1699_6.68 90100.00 84900.00 88800.00 75600.00 77900.00 76900.00 242.9888_6.7 440000.00 431000.00 425000.00 428000.00 416000.00 432000.00 343.1389_6.72 860000.00 892000.00 888000.00 755000.00 764000.00 745000.00 225.1129_6.72 128000.00 130000.00 126000.00 102000.00 106000.00 106000.00 304.1214_6.72 70600.00 77500.00 74000.00 64400.00 65400.00 65600.00 404.187_6.73 77900.00 68100.00 68400.00 80400.00 81400.00 78700.00 193.0901_6.73 80200.00 82600.00 81400.00 77700.00 74400.00 65200.00 404.1868_6.73 90100.00 86000.00 81500.00 94100.00 86600.00 86700.00 279.006_6.73 328000.00 326000.00 331000.00 322000.00 320000.00 329000.00 262.9959_6.74 429000.00 416000.00 410000.00 426000.00 416000.00 424000.00 193.0901_6.74 97500.00 97700.00 93900.00 13100.00 12900.00 13900.00 369.173_6.75 285000.00 290000.00 292000.00 250000.00 252000.00 247000.00 280.6217_6.75 59300.00 57700.00 63800.00 52100.00 50300.00 56300.00 280.6218_6.75 67000.00 72600.00 64000.00 64000.00 63900.00 67800.00 262.9961_6.75 484000.00 482000.00 467000.00 476000.00 471000.00 479000.00 325.1282_6.76 140000.00 145000.00 139000.00 113000.00 115000.00 114000.00 335.0112_6.76 322000.00 290000.00 318000.00 321000.00 290000.00 304000.00 369.1732_6.76 625000.00 605000.00 597000.00 582000.00 588000.00 583000.00 200.129_6.77 485000.00 495000.00 495000.00 431000.00 441000.00 445000.00 341.1232_6.77 195000.00 208000.00 200000.00 164000.00 171000.00 157000.00 350.0233_6.81 79100.00 75500.00 72400.00 78200.00 72100.00 77300.00 294.9935_6.82 199000.00 196000.00 193000.00 197000.00 194000.00 192000.00 289.0079_6.82 645000.00 651000.00 653000.00 637000.00 641000.00 641000.00 341.0043_6.83 1660000.00 1640000.00 1620000.00 1610000.00 1580000.00 1590000.00 389.1805_6.88 141000.00 134000.00 137000.00 117000.00 114000.00 102000.00 433.2066_6.89 115000.00 116000.00 120000.00 96200.00 103000.00 99700.00 271.1544_6.9 61800.00 58100.00 56900.00 48700.00 49700.00 49200.00 543.2072_6.91 105000.00 98400.00 101000.00 79100.00 78900.00 75400.00 387.0201_6.91 789000.00 799000.00 788000.00 772000.00 788000.00 777000.00 326.9964_6.91 548000.00 552000.00 538000.00 538000.00 537000.00 533000.00 387.0194_6.91 881000.00 869000.00 866000.00 864000.00 848000.00 849000.00 397.2046_6.95 861000.00 847000.00 849000.00 807000.00 815000.00 828000.00 329.1596_6.97 533000.00 545000.00 543000.00 453000.00 478000.00 492000.00 463.2327_6.97 157000.00 156000.00 151000.00 123000.00 125000.00 124000.00 481.2068_6.98 106000.00 106000.00 103000.00 77000.00 86200.00 84700.00 369.1732_7.03 1160000.00 1210000.00 1210000.00 1010000.00 1020000.00 1030000.00 367.139_7.03 146000.00 154000.00 150000.00 130000.00 125000.00 130000.00 215.1286_7.03 87500.00 91500.00 96300.00 57400.00 56700.00 53600.00 369.1733_7.04 1700000.00 1680000.00 1630000.00 1620000.00 1600000.00 1620000.00 510.2524_7.06 198000.00 204000.00 199000.00 158000.00 160000.00 166000.00 510.252_7.06 312000.00 299000.00 312000.00 293000.00 295000.00 291000.00 343.1388_7.08 320000.00 333000.00 320000.00 277000.00 280000.00 283000.00 358.9994_7.08 1030000.00 1030000.00 887000.00 1010000.00 1010000.00 927000.00 222.1132_7.09 301000.00 306000.00 319000.00 265000.00 262000.00 265000.00 528.2626_7.0988 202000.00 205000.00 209000.00 162000.00 169000.00 167000.00 528.2626_7.1022 103000.00 105000.00 98000.00 95400.00 97200.00 94300.00 399.2196_7.13 57100.00 53300.00 54100.00 50800.00 53700.00 51900.00 358.9992_7.13 908000.00 898000.00 887000.00 753000.00 880000.00 879000.00 242.1757_7.14 67500.00 84300.00 82400.00 236000.00 235000.00 238000.00 242.1759_7.14 673000.00 654000.00 647000.00 662000.00 659000.00 658000.00 227.1285_7.16 170000.00 167000.00 170000.00 148000.00 151000.00 145000.00 307.002_7.17 1200000.00 1180000.00 1170000.00 1180000.00 1170000.00 1160000.00 264.9923_7.176 637000.00 716000.00 653000.00 664000.00 698000.00 664000.00 264.9923_7.1775 633000.00 656000.00 704000.00 738000.00 679000.00 606000.00 509.2738_7.18 78600.00 77900.00 76600.00 68900.00 65900.00 70200.00 325.2005_7.18 120000.00 123000.00 122000.00 126000.00 120000.00 113000.00 305.1597_7.19 103000.00 92500.00 102000.00 81700.00 80500.00 84500.00 367.1389_7.2 57600.00 59400.00 57200.00 49800.00 53700.00 51500.00 296.9988_7.22 304000.00 317000.00 274000.00 303000.00 317000.00 266000.00 391.0032_7.23 1440000.00 1430000.00 1420000.00 1410000.00 1410000.00 1400000.00 339.0059_7.24 1620000.00 1600000.00 1570000.00 1560000.00 1570000.00 1530000.00 296.9988_7.24 375000.00 348000.00 294000.00 338000.00 353000.00 308000.00 379.1387_7.25 398000.00 399000.00 396000.00 339000.00 341000.00 333000.00 391.0029_7.26 970000.00 956000.00 952000.00 941000.00 933000.00 939000.00 282.8718_7.28 86100.00 86000.00 87500.00 77400.00 82700.00 80400.00 282.8717_7.29 77700.00 81800.00 82500.00 78800.00 77200.00 80400.00 528.2623_7.3 361000.00 361000.00 356000.00 288000.00 309000.00 288000.00 331.1751_7.3 96000.00 97900.00 95300.00 76200.00 75000.00 82400.00 528.2625_7.3 99400.00 102000.00 103000.00 93000.00 98300.00 99700.00 367.1574_7.31 57300.00 58800.00 53700.00 55600.00 53700.00 55800.00 613.3581_7.36 119000.00 115000.00 118000.00 97200.00 102000.00 107000.00 395.1888_7.39 164000.00 173000.00 165000.00 156000.00 159000.00 164000.00 448.3055_7.4 68300.00 65300.00 62800.00 61800.00 62100.00 63700.00 435.2223_7.41 148000.00 148000.00 144000.00 115000.00 123000.00 122000.00 467.2573_7.41 182000.00 195000.00 195000.00 155000.00 162000.00 153000.00 465.2485_7.48 2790000.00 2820000.00 2850000.00 2440000.00 2480000.00 2470000.00 345.1543_7.48 145000.00 139000.00 144000.00 119000.00 121000.00 123000.00 533.2354_7.48 116000.00 130000.00 127000.00 114000.00 105000.00 102000.00 17?-Ethinyl estradiol 17600.00 10100.00 16800.00 18800.00 17900.00 18000.00 511.2901_7.53 389000.00 401000.00 396000.00 325000.00 339000.00 335000.00 443.1547_7.55 265000.00 284000.00 274000.00 243000.00 238000.00 242000.00 253.1439_7.57 54300.00 64800.00 59500.00 53100.00 54800.00 56900.00 464.3005_7.58 133000.00 125000.00 130000.00 120000.00 121000.00 124000.00 253.1439_7.58 51300.00 52400.00 51200.00 48900.00 51000.00 52300.00 Dodecanedioic acid 90100.00 94400.00 82500.00 62500.00 67100.00 49200.00 345.1544_7.63 228000.00 228000.00 232000.00 197000.00 216000.00 214000.00 239.0937_7.64 62500.00 61600.00 58100.00 53800.00 52600.00 54300.00 229.1441_7.64 47800.00 51700.00 44400.00 23700.00 27200.00 23300.00 251.092_7.65 72100.00 67000.00 78700.00 57200.00 72700.00 68600.00 239.0925_7.65 410000.00 397000.00 400000.00 403000.00 377000.00 396000.00 251.0921_7.65 63800.00 59600.00 70100.00 67400.00 63600.00 67300.00 369.1552_7.67 143000.00 145000.00 140000.00 127000.00 128000.00 124000.00 498.2881_7.67 143000.00 141000.00 145000.00 137000.00 130000.00 134000.00 471.2408_7.68 118000.00 122000.00 124000.00 104000.00 104000.00 102000.00 331.1755_7.7 5490000.00 5560000.00 5560000.00 4890000.00 4950000.00 4940000.00 443.1547_7.7 474000.00 474000.00 470000.00 411000.00 424000.00 414000.00 399.1624_7.7 175000.00 189000.00 181000.00 175000.00 169000.00 157000.00 369.1732_7.71 171000.00 167000.00 166000.00 158000.00 165000.00 164000.00 417.2117_7.72 110000.00 259000.00 249000.00 91400.00 84400.00 95700.00 417.2117_7.74 252000.00 256000.00 252000.00 123000.00 222000.00 217000.00 509.2744_7.74 137000.00 132000.00 138000.00 116000.00 115000.00 108000.00 444.1566_7.75 135000.00 134000.00 137000.00 112000.00 113000.00 112000.00 446.2899_7.77 219000.00 219000.00 214000.00 191000.00 189000.00 188000.00 296.9977_7.78 443000.00 436000.00 432000.00 437000.00 428000.00 421000.00 381.1547_7.81 8970000.00 8940000.00 9050000.00 7850000.00 7830000.00 7690000.00 449.1416_7.81 375000.00 379000.00 386000.00 342000.00 335000.00 316000.00 193.035_7.81 286000.00 280000.00 298000.00 251000.00 247000.00 242000.00 763.3172_7.81 230000.00 235000.00 235000.00 171000.00 174000.00 168000.00 481.0766_7.81 121000.00 117000.00 114000.00 99000.00 99900.00 101000.00 526.0758_7.81 88000.00 76400.00 78400.00 70300.00 63400.00 73200.00 175.0242_7.82 144000.00 137000.00 140000.00 115000.00 115000.00 115000.00 512.2676_7.86 273000.00 263000.00 271000.00 239000.00 237000.00 234000.00 512.2677_7.87 256000.00 254000.00 259000.00 247000.00 245000.00 258000.00 241.0866_7.89 68200.00 74500.00 64100.00 70200.00 67500.00 65000.00 240.9907_7.9 223000.00 211000.00 216000.00 222000.00 217000.00 218000.00 448.3054_7.92 102000.00 102000.00 99300.00 88300.00 80100.00 80600.00 193.087_7.9265 163000.00 147000.00 162000.00 166000.00 158000.00 144000.00 Taurodeoxycholic acid 65200.00 64800.00 62800.00 63000.00 63100.00 60800.00 193.087_7.9319 174000.00 159000.00 157000.00 155000.00 152000.00 151000.00 256.9864_7.963 235000.00 223000.00 197000.00 220000.00 217000.00 207000.00 256.9864_7.9649 221000.00 218000.00 225000.00 196000.00 205000.00 203000.00 247.0971_7.97 170000.00 175000.00 171000.00 165000.00 165000.00 173000.00 495.2951_8.07 285000.00 273000.00 270000.00 233000.00 229000.00 226000.00 357.0014_8.07 1120000.00 1110000.00 1100000.00 1080000.00 1080000.00 1050000.00 357.0013_8.08 1080000.00 1050000.00 1060000.00 938000.00 1040000.00 1040000.00 Murocholic acid 9550.00 8820.00 8840.00 7350.00 8530.00 8590.00 329.2324_8.13 344000.00 333000.00 338000.00 323000.00 324000.00 320000.00 568.1537_8.23 143.00 485.00 167.00 gamma-Muricholic acid 19700.00 17900.00 18900.00 17600.00 13900.00 17000.00 52300.00 48800.00 53400.00 48000.00 46800.00 50500.00 426.9689_8.24 3310000.00 3470000.00 3780000.00 2910000.00 2830000.00 3020000.00 314.9929_8.25 131000.00 158000.00 142000.00 122000.00 137000.00 155000.00 314.9925_8.26 90000.00 124000.00 114000.00 135000.00 135000.00 136000.00 493.244_8.28 240000.00 224000.00 227000.00 193000.00 187000.00 189000.00 274.9812_8.29 127000.00 125000.00 127000.00 128000.00 124000.00 127000.00 274.9808_8.29 105000.00 100000.00 107000.00 106000.00 104000.00 100000.00 285.1253_8.38 62200.00 57400.00 59500.00 61500.00 52200.00 57100.00 368.9875_8.39 108000.00 107000.00 102000.00 106000.00 103000.00 92800.00 368.9978_8.39 222000.00 216000.00 213000.00 211000.00 210000.00 210000.00 368.9853_8.39 116000.00 120000.00 116000.00 120000.00 117000.00 110000.00 368.9919_8.39 160000.00 156000.00 145000.00 157000.00 153000.00 139000.00 285.1253_8.4 111000.00 109000.00 97100.00 103000.00 99000.00 95600.00 Ursodeoxycholic acid 10900.00 11100.00 9780.00 7520.00 8560.00 8030.00 419.2273_8.45 19900.00 18200.00 19500.00 16200.00 14300.00 16100.00 448.3059_8.51 699000.00 688000.00 689000.00 649000.00 674000.00 672000.00 Hyodeoxycholic acid 10900.00 11100.00 9550.00 7810.00 7200.00 6110.00 580.3242_8.59 136000.00 132000.00 131000.00 83700.00 87900.00 89900.00 227.1285_8.72 97800.00 97900.00 55400.00 85200.00 88600.00 85900.00 580.3243_8.75 107000.00 117000.00 111000.00 69200.00 67300.00 81800.00 329.2323_8.78 156000.00 147000.00 142000.00 146000.00 155000.00 158000.00 448.3056_8.86 193000.00 188000.00 185000.00 176000.00 173000.00 191000.00 498.9293_8.99 57400.00 56200.00 53900.00 54000.00 52500.00 56700.00 267.1233_9.04 320000.00 330000.00 333000.00 289000.00 297000.00 296000.00 267.1234_9.04 382000.00 370000.00 375000.00 358000.00 361000.00 364000.00 194.082_9.15 228000.00 213000.00 214000.00 204000.00 207000.00 217000.00 194.0821_9.16 223000.00 212000.00 211000.00 207000.00 201000.00 201000.00 263.1283_9.27 71900.00 64400.00 63200.00 62200.00 61000.00 62200.00 335.2215_9.41 105000.00 101000.00 93500.00 98400.00 95500.00 101000.00 507.2224_9.42 189000.00 197000.00 179000.00 181000.00 177000.00 176000.00 311.2219_9.49 478000.00 483000.00 473000.00 448000.00 463000.00 465000.00 Chenodeoxycholic Acid 22200.00 24300.00 19600.00 22600.00 18800.00 21800.00 Glycolithocholic acid 11800.00 12300.00 13100.00 11000.00 10700.00 12700.00 265.1476_9.68 1520000.00 1570000.00 1570000.00 1310000.00 1280000.00 1270000.00 265.1475_9.68 1030000.00 1070000.00 1040000.00 1140000.00 1140000.00 1150000.00 463.2983_9.68 62100.00 64300.00 62900.00 56800.00 61800.00 59600.00 441.315_9.69 878000.00 870000.00 878000.00 813000.00 821000.00 824000.00 395.3093_9.69 175000.00 176000.00 170000.00 156000.00 152000.00 155000.00 253.0824_9.69 12200.00 12800.00 13800.00 11700.00 13200.00 14200.00 437.2895_9.7 75300.00 67800.00 67000.00 70500.00 69200.00 74100.00 233.1544_9.85 66300.00 67700.00 60500.00 66900.00 64400.00 63500.00 233.1542_9.85 80600.00 80600.00 81400.00 81300.00 84600.00 87300.00 Deoxycholic acid 87600.00 88200.00 94700.00 90000.00 87700.00 82700.00 297.1522_9.88 352000.00 356000.00 354000.00 467000.00 446000.00 454000.00 297.1523_9.88 2850000.00 2830000.00 2810000.00 355000.00 355000.00 368000.00 391.2841_9.94 64000.00 63300.00 63900.00 63100.00 61500.00 60600.00 233.1543_9.95 195000.00 189000.00 183000.00 179000.00 187000.00 184000.00 887.3662_9.99 179000.00 186000.00 180000.00 174000.00 178000.00 169000.00 277.1836_10 701000.00 673000.00 984000.00 928000.00 944000.00 972000.00 277.1442_10 47400000.00 47100000.00 47200000.00 46300000.00 46800000.00 47000000.00 362.1211_10 679000.00 658000.00 671000.00 631000.00 656000.00 670000.00 877.4112_10 243000.00 233000.00 246000.00 228000.00 244000.00 250000.00 417.1671_10 277000.00 272000.00 284000.00 276000.00 280000.00 284000.00 932.3632_10 57200.00 59200.00 55500.00 59300.00 56500.00 53900.00 277.1836_10.01 577.2776_10.01 2240000.00 2190000.00 2250000.00 2170000.00 2240000.00 2270000.00 1164.5083_10.01 121000.00 126000.00 118000.00 123000.00 115000.00 110000.00 375.1206_10.01 123000.00 115000.00 126000.00 118000.00 130000.00 124000.00 696.2239_10.01 131000.00 137000.00 139000.00 128000.00 130000.00 130000.00 555.2953_10.02 690000.00 686000.00 714000.00 667000.00 693000.00 674000.00 464.0768_10.04 275000.00 272000.00 271000.00 259000.00 267000.00 262000.00 482.1229_10.04 176000.00 178000.00 169000.00 174000.00 167000.00 160000.00 1198.1433_10.04 190000.00 189000.00 186000.00 187000.00 192000.00 185000.00 482.1228_10.05 169000.00 173000.00 166000.00 173000.00 162000.00 156000.00 364.2247_10.06 242000.00 249000.00 262000.00 229000.00 231000.00 220000.00 364.2246_10.06 109000.00 114000.00 127000.00 112000.00 108000.00 108000.00 345.131_10.06 1150000.00 1140000.00 1130000.00 1140000.00 1140000.00 1140000.00 423.0731_10.06 235000.00 241000.00 230000.00 241000.00 223000.00 215000.00 309.1734_10.08 418000.00 426000.00 433000.00 294000.00 297000.00 296000.00 468.0709_10.08 168000.00 174000.00 169000.00 179000.00 167000.00 157000.00 309.1736_10.09 236000.00 233000.00 242000.00 246000.00 250000.00 246000.00 413.1184_10.11 122000.00 130000.00 133000.00 133000.00 132000.00 136000.00 512.2979_10.18 118000.00 116000.00 120000.00 71700.00 69300.00 71500.00 353.1994_10.22 337000.00 335000.00 328000.00 235000.00 229000.00 215000.00 353.1994_10.23 163000.00 173000.00 163000.00 163000.00 148000.00 155000.00 397.2254_10.27 262000.00 258000.00 253000.00 203000.00 198000.00 202000.00 441.2516_10.27 116000.00 115000.00 112000.00 88700.00 87000.00 87400.00 441.2515_10.27 80200.00 79400.00 73600.00 73100.00 75700.00 69300.00 397.2254_10.28 146000.00 133000.00 135000.00 139000.00 130000.00 126000.00 562.3137_10.37 188000.00 184000.00 180000.00 109000.00 111000.00 111000.00 586.3139_10.39 276000.00 269000.00 272000.00 134000.00 143000.00 138000.00 311.168_10.46 8490000.00 8370000.00 8330000.00 1660000.00 1690000.00 1680000.00 379.155_10.46 220000.00 210000.00 208000.00 45100.00 47100.00 46600.00 311.1679_10.47 1940000.00 1770000.00 1840000.00 2190000.00 2180000.00 2260000.00 619.2873_10.47 55200.00 50000.00 49300.00 27500.00 27800.00 27500.00 396.1451_10.48 90700.00 86000.00 86200.00 19300.00 19300.00 19000.00 311.2209_10.52 193000.00 220000.00 203000.00 173000.00 166000.00 168000.00 538.3139_10.53 461000.00 470000.00 458000.00 269000.00 267000.00 263000.00 Sphingosine-1-phosphate (d18:1) 105000.00 113000.00 116000.00 112000.00 112000.00 115000.00 291.1992_10.57 596000.00 826000.00 865000.00 769000.00 778000.00 761000.00 449.2532_10.58 303000.00 315000.00 311000.00 259000.00 273000.00 272000.00 291.199_10.58 158000.00 161000.00 111000.00 119000.00 117000.00 116000.00 449.2531_10.58 132000.00 140000.00 137000.00 129000.00 122000.00 129000.00 595.2878_10.63 227000.00 226000.00 228000.00 119000.00 115000.00 112000.00 421.2253_10.65 58600.00 52500.00 54700.00 50300.00 44800.00 47200.00 378.2404_10.65 61900.00 76900.00 70400.00 75700.00 82100.00 71200.00 619.2877_10.66 451000.00 454000.00 437000.00 221000.00 225000.00 218000.00 421.2254_10.66 103000.00 107000.00 103000.00 106000.00 102000.00 98200.00 632.3172_10.74 116000.00 120000.00 113000.00 68700.00 58800.00 71400.00 564.3301_10.75 2250000.00 2220000.00 2210000.00 1260000.00 1250000.00 1240000.00 295.2272_10.78 1140000.00 1150000.00 1140000.00 1120000.00 1150000.00 1150000.00 588.3298_10.8 748000.00 739000.00 742000.00 408000.00 405000.00 405000.00 Sphinganine-phosphate (d18:0) 12900.00 14200.00 11200.00 15400.00 14000.00 15900.00 293.1787_10.8659 2000000.00 1890000.00 1930000.00 1790000.00 1730000.00 1640000.00 293.1787_10.8699 1080000.00 1060000.00 1000000.00 1060000.00 1040000.00 1000000.00 700.3043_10.92 74900.00 73800.00 77500.00 65000.00 65900.00 66000.00 554.3009_10.93 59400.00 58500.00 53200.00 40400.00 40900.00 41700.00 709.2529_10.93 55800.00 54600.00 52800.00 46700.00 42100.00 42700.00 632.317_10.94 471000.00 465000.00 453000.00 327000.00 341000.00 343000.00 319.2274_10.94 196000.00 196000.00 196000.00 196000.00 201000.00 205000.00 564.3301_10.95 11400000.00 11400000.00 11300000.00 7270000.00 7340000.00 7290000.00 1083.6606_10.95 386000.00 380000.00 371000.00 146000.00 146000.00 146000.00 612.3294_10.95 273000.00 270000.00 274000.00 125000.00 126000.00 118000.00 1107.6604_10.96 200000.00 194000.00 190000.00 82100.00 83400.00 81400.00 581.3195_10.96 194000.00 202000.00 187000.00 122000.00 125000.00 116000.00 656.3167_10.97 129000.00 130000.00 127000.00 80300.00 85700.00 84500.00 588.33_10.98 3790000.00 3730000.00 3700000.00 2210000.00 2240000.00 2220000.00 571.2877_10.98 160000.00 160000.00 151000.00 89000.00 89500.00 88000.00 844.515_11.03 109000.00 105000.00 103000.00 17300.00 17600.00 17700.00 325.1834_11.04 2490000.00 2540000.00 2710000.00 2730000.00 2810000.00 2920000.00 325.1835_11.05 7110000.00 6930000.00 6950000.00 1980000.00 2010000.00 1980000.00 393.1705_11.05 104000.00 107000.00 99200.00 35800.00 36600.00 34900.00 N-palmitoyl taurine 12600.00 10800.00 10400.00 10600.00 12500.00 10300.00 608.3171_11.09 96600.00 96900.00 95200.00 66700.00 68600.00 66700.00 540.3299_11.1 2150000.00 2170000.00 2080000.00 1310000.00 1300000.00 1300000.00 476.2768_11.1 192000.00 183000.00 189000.00 125000.00 138000.00 128000.00 305.2147_11.13 352000.00 352000.00 358000.00 417000.00 414000.00 409000.00 500.2769_11.14 139000.00 135000.00 137000.00 82800.00 82100.00 87700.00 305.2146_11.17 73300.00 72600.00 76500.00 57700.00 52700.00 52700.00 590.344_11.18 262000.00 264000.00 258000.00 140000.00 137000.00 139000.00 LysoPC(16:0) 12400000.00 12300000.00 12200000.00 7850000.00 7940000.00 7930000.00 319.2277_11.22 731000.00 741000.00 929000.00 718000.00 926000.00 756000.00 337.2044_11.26 462000.00 445000.00 444000.00 422000.00 418000.00 405000.00 337.2045_11.26 290000.00 296000.00 283000.00 305000.00 306000.00 294000.00 597.3033_11.27 94700.00 98800.00 93500.00 60700.00 61000.00 64300.00 614.3453_11.29 276000.00 323000.00 277000.00 135000.00 138000.00 139000.00 1035.6611_11.31 468000.00 467000.00 451000.00 184000.00 190000.00 187000.00 685.2525_11.31 91500.00 93200.00 91100.00 71100.00 66500.00 63300.00 676.3042_11.31 72000.00 75300.00 76000.00 61200.00 66900.00 68600.00 540.3298_11.32 12400000.00 12300000.00 12100000.00 7780000.00 7890000.00 7870000.00 634.3434_11.32 116000.00 115000.00 114000.00 82300.00 81000.00 80500.00 530.3017_11.32 72700.00 78600.00 73800.00 55700.00 53500.00 54600.00 608.3175_11.34 560000.00 561000.00 557000.00 382000.00 403000.00 413000.00 557.3196_11.34 259000.00 254000.00 245000.00 153000.00 157000.00 161000.00 381.2305_11.4 182000.00 193000.00 185000.00 169000.00 170000.00 167000.00 381.2305_11.41 126000.00 131000.00 126000.00 131000.00 145000.00 141000.00 590.3451_11.41 1470000.00 1450000.00 1430000.00 825000.00 820000.00 826000.00 566.3453_11.41 620000.00 591000.00 575000.00 341000.00 336000.00 342000.00 452.277_11.48 173000.00 174000.00 167000.00 105000.00 104000.00 108000.00 435.2094_11.52 69000.00 72300.00 74800.00 72000.00 71100.00 61000.00 435.2093_11.52 72800.00 71200.00 72200.00 68000.00 72000.00 69900.00 319.2282_11.56 691000.00 676000.00 671000.00 698000.00 694000.00 687000.00 339.1992_11.6 1650000.00 1540000.00 1740000.00 1830000.00 1840000.00 1720000.00 339.1993_11.6 4780000.00 4660000.00 4700000.00 1350000.00 1350000.00 1230000.00 566.3453_11.61 4820000.00 4780000.00 4770000.00 2690000.00 2690000.00 2740000.00 311.2_11.62 103000.00 109000.00 102000.00 96300.00 98400.00 96900.00 311.1999_11.63 77200.00 83400.00 84800.00 96000.00 96000.00 82800.00 583.3324_11.63 79600.00 83800.00 82800.00 49600.00 48700.00 51200.00 634.3337_11.66 263000.00 256000.00 253000.00 124000.00 133000.00 133000.00 LysoPA(16:0) 42300.00 41900.00 58900.00 39700.00 46900.00 57200.00 319.2302_11.69 166000.00 165000.00 169000.00 155000.00 163000.00 156000.00 526.3501_11.77 1340000.00 1340000.00 1340000.00 1210000.00 1210000.00 1230000.00 594.3374_11.77 63800.00 63100.00 63300.00 57200.00 56400.00 60000.00 478.2925_11.79 119000.00 127000.00 108000.00 66000.00 84900.00 85400.00 592.3226_11.8 63900.00 65000.00 64800.00 56400.00 52100.00 59200.00 524.3349_11.81 1470000.00 1470000.00 1470000.00 1280000.00 1270000.00 1290000.00 554.345_11.81 182000.00 105000.00 102000.00 99000.00 100000.00 98700.00 616.3608_11.83 102000.00 103000.00 102000.00 56200.00 54400.00 56100.00 599.319_11.87 58900.00 64400.00 59500.00 35300.00 35100.00 33800.00 2-O-methyl PAF C-16 12500.00 10500.00 6710.00 11200.00 13700.00 10200.00 PAF C-16 639000.00 649000.00 631000.00 342000.00 344000.00 340000.00 592.3586_11.95 100000.00 98700.00 101000.00 48800.00 49100.00 52200.00 1-Oleoyl Lysophosphatidic Acid 52700.00 56900.00 50400.00 61300.00 59600.00 55000.00 436.2823_12.01 510000.00 511000.00 496000.00 403000.00 410000.00 408000.00 365.2686_12.01 67400.00 65600.00 66900.00 59600.00 59700.00 68000.00 321.2139_12.03 142000.00 155000.00 151000.00 142000.00 143000.00 147000.00 552.366_12.03 857000.00 857000.00 841000.00 755000.00 761000.00 769000.00 321.2145_12.03 140000.00 144000.00 138000.00 81800.00 79900.00 133000.00 620.3534_12.03 38000.00 39800.00 38600.00 34700.00 34700.00 37000.00 550.3502_12.07 241000.00 236000.00 247000.00 197000.00 193000.00 180000.00 599.319_12.1 568000.00 565000.00 549000.00 293000.00 292000.00 299000.00 568.3609_12.18 656000.00 658000.00 649000.00 349000.00 349000.00 348000.00 LysoPC(18:0) 640000.00 649000.00 637000.00 346000.00 345000.00 342000.00 462.2979_12.27 278000.00 230000.00 285000.00 214000.00 177000.00 226000.00 369.2424_12.32 2580.00 2600.00 2620.00 701.00 1890.00 1200.00 568.361_12.39 4170000.00 4150000.00 4060000.00 2210000.00 2230000.00 2220000.00 585.3511_12.42 89100.00 90900.00 81000.00 48900.00 50300.00 50700.00 636.3481_12.43 258000.00 257000.00 264000.00 123000.00 127000.00 131000.00 480.3083_12.58 187000.00 187000.00 192000.00 111000.00 111000.00 111000.00 271.2272_12.63 201000.00 197000.00 192000.00 182000.00 180000.00 188000.00 Butanoyl-PAF 17600.00 17300.00 18000.00 13700.00 11500.00 13900.00 554.3814_12.85 263000.00 250000.00 260000.00 201000.00 211000.00 213000.00 583.255_12.85 68900.00 66400.00 66000.00 68100.00 69500.00 69100.00 552.3659_12.88 128000.00 124000.00 132000.00 102000.00 92600.00 93000.00 ?-Linolenic Acid 72400.00 68200.00 74900.00 68000.00 67800.00 72900.00 306.2479_12.93 588000.00 551000.00 554000.00 514000.00 525000.00 538000.00 PAF C-18 19300.00 15800.00 18900.00 13900.00 12300.00 13100.00 473.2819_13.01 1320000.00 1340000.00 1220000.00 1270000.00 1120000.00 1230000.00 473.2818_13.02 1190000.00 1180000.00 1180000.00 1150000.00 1170000.00 1160000.00 464.3137_13.09 326000.00 323000.00 311000.00 252000.00 258000.00 252000.00 Docosahexaenoic acid 339000.00 336000.00 336000.00 328000.00 322000.00 329000.00 Arachidonic Acid 736000.00 733000.00 742000.00 713000.00 725000.00 735000.00 332.2636_13.47 1060000.00 1050000.00 1030000.00 954000.00 960000.00 980000.00 339.2314_13.49 161000.00 152000.00 144000.00 211000.00 133000.00 154000.00 327.232_13.49 317000.00 308000.00 313000.00 305000.00 302000.00 302000.00 339.2312_13.51 198000.00 192000.00 183000.00 192000.00 177000.00 190000.00 311.2822_13.51 536000.00 515000.00 515000.00 468000.00 490000.00 484000.00 279.2322_13.55 505000.00 494000.00 486000.00 488000.00 493000.00 499000.00 303.2322_13.55 718000.00 707000.00 718000.00 690000.00 705000.00 713000.00 466.1654_13.56 108000.00 91300.00 112000.00 105000.00 102000.00 104000.00 537.4147_13.58 497000.00 497000.00 490000.00 495000.00 492000.00 485000.00 467.3727_13.68 428000.00 421000.00 418000.00 385000.00 388000.00 408000.00 539.4299_13.68 109000.00 128000.00 125000.00 113000.00 126000.00 122000.00 445.3311_13.75 360000.00 364000.00 369000.00 351000.00 350000.00 359000.00 Cholesterol sulfate 130000.00 142000.00 121000.00 105000.00 141000.00 102000.00 642000.00 635000.00 622000.00 473000.00 470000.00 477000.00 Dihomo-?-Linolenic Acid 42100.00 42100.00 38700.00 38900.00 41000.00 37700.00 Palmitic acid 46600.00 43200.00 49100.00 56100.00 45000.00 50200.00 255000.00 249000.00 250000.00 239000.00 256000.00 266000.00 591.4615_13.88 136000.00 350000.00 351000.00 331000.00 131000.00 132000.00 367.2633_13.93 449000.00 424000.00 447000.00 442000.00 432000.00 435000.00 367.2632_13.94 387000.00 400000.00 386000.00 393000.00 404000.00 386000.00 539.4302_13.95 265000.00 208000.00 189000.00 247000.00 198000.00 247000.00 340.2094_13.96 94700.00 89200.00 90500.00 87400.00 92200.00 92000.00 255.2325_13.97 238000.00 228000.00 226000.00 222000.00 234000.00 240000.00 442.1652_13.97 144000.00 135000.00 126000.00 138000.00 137000.00 140000.00 323.2194_13.97 85000.00 86100.00 86200.00 81900.00 85900.00 83300.00 465.3033_14.05 98000.00 93800.00 97100.00 81800.00 77500.00 78900.00 465.3036_14.05 631000.00 637000.00 624000.00 463000.00 466000.00 467000.00 445.3311_14.06 852000.00 865000.00 481000.00 818000.00 824000.00 845000.00 Adrenic Acid 29000.00 32600.00 30300.00 26500.00 26900.00 26300.00 281.2481_14.2 721000.00 718000.00 704000.00 695000.00 693000.00 721000.00 349.2354_14.2 176000.00 159000.00 166000.00 176000.00 147000.00 180000.00 366.225_14.2 138000.00 162000.00 138000.00 156000.00 159000.00 163000.00 468.1809_14.22 190000.00 186000.00 177000.00 189000.00 188000.00 177000.00 441.2019_14.27 57200.00 50100.00 50900.00 49900.00 48200.00 48500.00 425.3623_14.27 129000.00 128000.00 126000.00 118000.00 123000.00 118000.00 SM(d18:1/12:0) 58300.00 58000.00 60100.00 54800.00 52200.00 53800.00 591.4617_14.3 213000.00 136000.00 214000.00 194000.00 203000.00 215000.00 554.3112_14.33 156000.00 149000.00 150000.00 152000.00 149000.00 127000.00 537.3213_14.33 177000.00 181000.00 175000.00 177000.00 180000.00 178000.00 447.3461_14.33 599000.00 613000.00 503000.00 571000.00 574000.00 580000.00 537.3211_14.33 210000.00 223000.00 211000.00 207000.00 214000.00 191000.00 593.4774_14.37 1190000.00 1200000.00 1180000.00 1160000.00 1160000.00 1190000.00 403.2634_14.4 110000.00 107000.00 99400.00 113000.00 97700.00 109000.00 459.291_14.5 414.00 376.00 717.5176_14.64 85900.00 85000.00 93100.00 74400.00 73100.00 76200.00 595.4928_14.71 891000.00 879000.00 867000.00 860000.00 849000.00 879000.00 573.4509_14.73 208000.00 147000.00 134000.00 209000.00 208000.00 206000.00 596.4963_14.74 278000.00 271000.00 265000.00 269000.00 270000.00 270000.00 Stearic acid 54800.00 55700.00 52400.00 67800.00 70000.00 60900.00 151000.00 147000.00 145000.00 151000.00 148000.00 148000.00 591.3893_14.8 87700.00 87800.00 86200.00 75000.00 76300.00 79000.00 283.2636_14.96 109000.00 116000.00 110000.00 114000.00 120000.00 111000.00 423.3259_15.04 954000.00 800000.00 745000.00 747000.00 730000.00 905000.00 423.3258_15.07 1040000.00 1030000.00 990000.00 972000.00 950000.00 1020000.00 239.0606_15.13 43900.00 52500.00 64500.00 49200.00 54000.00 54300.00 719.5339_15.19 1150000.00 1150000.00 1140000.00 1020000.00 1020000.00 1040000.00 787.5209_15.19 113000.00 120000.00 117000.00 95600.00 96300.00 105000.00 505.3316_15.36 394000.00 392000.00 393000.00 380000.00 386000.00 359000.00 745.5497_15.37 2480000.00 2450000.00 2440000.00 2180000.00 2180000.00 2210000.00 813.5365_15.37 298000.00 297000.00 289000.00 268000.00 251000.00 260000.00 762.539_15.38 115000.00 117000.00 108000.00 102000.00 99000.00 107000.00 881.5237_15.38 107000.00 103000.00 96500.00 91400.00 90900.00 91000.00 505.3316_15.39 394000.00 387000.00 390000.00 376000.00 375000.00 374000.00 505.3315_15.39 304000.00 293000.00 304000.00 314000.00 313000.00 306000.00 459.3262_15.45 1270000.00 1270000.00 1250000.00 1240000.00 1240000.00 1230000.00 459.3261_15.46 1180000.00 999000.00 1160000.00 1150000.00 1140000.00 1130000.00 421.3101_15.51 276000.00 285000.00 293000.00 261000.00 260000.00 273000.00 421.3101_15.52 263000.00 297000.00 278000.00 271000.00 248000.00 258000.00 733.5492_15.53 542000.00 539000.00 532000.00 438000.00 432000.00 448000.00 771.5643_15.63 90400.00 90400.00 89500.00 81300.00 81300.00 78800.00 SM(d18:1/16:0) 6660000.00 6610000.00 6510000.00 5350000.00 5390000.00 5370000.00 LacCer(d18:1/16:0) 47800.00 49700.00 50500.00 37800.00 38100.00 39100.00 522.3214_15.78 68900.00 79300.00 69800.00 88200.00 87900.00 64000.00 505.3315_15.8 546000.00 1140000.00 751000.00 1090000.00 534000.00 699000.00 522.3215_15.8 334000.00 320000.00 307000.00 312000.00 316000.00 290000.00 505.3314_15.81 906000.00 575000.00 868000.00 579000.00 909000.00 896000.00 747.5654_15.85 6640000.00 6590000.00 6490000.00 5330000.00 5360000.00 5350000.00 764.5548_15.85 426000.00 418000.00 408000.00 336000.00 339000.00 336000.00 737.5358_15.85 86100.00 82300.00 81700.00 67500.00 73200.00 72900.00 815.5524_15.86 875000.00 866000.00 854000.00 755000.00 757000.00 747000.00 883.5393_15.86 327000.00 339000.00 335000.00 308000.00 307000.00 305000.00 SM(d18:1/18:1) 755000.00 754000.00 751000.00 614000.00 618000.00 632000.00 951.5263_15.87 99100.00 106000.00 103000.00 101000.00 101000.00 108000.00 557.4561_16.01 546000.00 557000.00 528000.00 621000.00 541000.00 536000.00 826.5583_16.01 155000.00 164000.00 154000.00 68100.00 92600.00 71400.00 841.5768_16.03 253000.00 253000.00 246000.00 212000.00 211000.00 213000.00 773.5807_16.04 725000.00 719000.00 711000.00 581000.00 588000.00 594000.00 GlcCer(d18:1/16:0) 37300.00 37100.00 37700.00 28600.00 28100.00 29600.00 750.5823_16.09 69000.00 64800.00 65500.00 49800.00 50600.00 50400.00 Eicosapentaenoyl PAF C-16 25000.00 23400.00 22300.00 23300.00 20700.00 22500.00 761.5807_16.16 1590000.00 1580000.00 1540000.00 1190000.00 1170000.00 1180000.00 829.5676_16.16 248000.00 241000.00 237000.00 196000.00 207000.00 197000.00 897.5547_16.16 76800.00 78400.00 83200.00 75000.00 63600.00 72000.00 778.5699_16.16 92800.00 93400.00 96400.00 73400.00 74900.00 73000.00 Cer(d18:1/14:0) 10000.00 10600.00 8730.00 8650.00 6650.00 7540.00 459.3261_16.17 980000.00 739000.00 853000.00 605000.00 703000.00 808000.00 459.3259_16.18 943000.00 925000.00 644000.00 644000.00 897000.00 898000.00 850.5593_16.2 107000.00 105000.00 94100.00 56300.00 55200.00 56500.00 826.56_16.25 912000.00 899000.00 879000.00 520000.00 514000.00 525000.00 819.5469_16.25 138000.00 129000.00 124000.00 65700.00 86800.00 88600.00 894.5463_16.27 146000.00 152000.00 145000.00 87700.00 85200.00 85000.00 PE(16:0/18:2) 15400.00 17300.00 13400.00 13700.00 11600.00 11600.00 20000.00 20200.00 21200.00 12300.00 14000.00 12200.00 870.5475_16.29 434000.00 434000.00 434000.00 272000.00 274000.00 273000.00 SM(d18:1/18:0) 480000.00 479000.00 461000.00 363000.00 367000.00 371000.00 802.5603_16.3 2310000.00 2290000.00 2250000.00 1330000.00 1340000.00 1330000.00 938.5338_16.3 152000.00 149000.00 142000.00 97600.00 92700.00 101000.00 PC(16:0/16:0) OR PC(18:0/14:0) 129000.00 124000.00 128000.00 105000.00 103000.00 98300.00 852.5745_16.37 206000.00 186000.00 191000.00 92700.00 80900.00 66700.00 Docosahexaenoyl PAF C-16 18000.00 18800.00 20200.00 14700.00 14600.00 15700.00 PC(16:0/18:1) 703000.00 682000.00 682000.00 353000.00 353000.00 357000.00 896.5647_16.44 217000.00 206000.00 201000.00 125000.00 87100.00 85900.00 775.5961_16.46 450000.00 433000.00 424000.00 327000.00 323000.00 330000.00 843.5824_16.46 71200.00 72900.00 69600.00 59300.00 59200.00 59700.00 Arachidonoyl PAF C-16 502000.00 501000.00 504000.00 388000.00 388000.00 393000.00 828.5727_16.48 801000.00 782000.00 762000.00 415000.00 413000.00 402000.00 786.5643_16.55 167000.00 178000.00 161000.00 112000.00 114000.00 109000.00 PC(18:1/18:1) 115000.00 118000.00 109000.00 67200.00 58800.00 64800.00 801.6109_16.61 128000.00 125000.00 123000.00 88300.00 89500.00 90800.00 812.5795_16.61 469000.00 463000.00 467000.00 352000.00 348000.00 355000.00 788.5788_16.61 131000.00 133000.00 129000.00 101000.00 91800.00 93400.00 880.5675_16.61 93200.00 89300.00 91600.00 64700.00 76400.00 79000.00 872.5623_16.62 125000.00 121000.00 123000.00 69200.00 57400.00 69200.00 553.4935_16.62 87800.00 103000.00 93800.00 53300.00 52400.00 54100.00 570.4836_16.62 66000.00 67900.00 65700.00 43400.00 46700.00 45600.00 804.5746_16.64 680000.00 658000.00 660000.00 317000.00 318000.00 320000.00 906.5828_16.68 60800.00 61200.00 57500.00 49400.00 48600.00 51100.00 838.5951_16.69 356000.00 356000.00 359000.00 263000.00 265000.00 263000.00 722.5118_16.71 100000.00 99200.00 97400.00 65800.00 65600.00 56500.00 814.5925_16.71 130000.00 122000.00 121000.00 95200.00 97500.00 96500.00 Cer(d18:0/16:0) 9640.00 7940.00 9920.00 7680.00 6340.00 7910.00 PE(18:1/18:1) 17800.00 21000.00 21700.00 11700.00 11400.00 10400.00 830.5901_16.77 684000.00 682000.00 666000.00 309000.00 307000.00 306000.00 898.5756_16.79 147000.00 153000.00 137000.00 82200.00 61300.00 81300.00 748.5271_16.79 115000.00 108000.00 105000.00 73100.00 74900.00 72800.00 854.592_16.8 283000.00 296000.00 291000.00 118000.00 112000.00 119000.00 853.6422_16.8 56900.00 58100.00 52300.00 40900.00 43300.00 41900.00 Dihydro Cer (d18:0/16:0) 13400.00 12300.00 13000.00 9550.00 9420.00 10600.00 856.6034_16.96 75100.00 70200.00 66200.00 33100.00 32900.00 33700.00 803.6266_17.01 94600.00 87900.00 90300.00 66100.00 66700.00 64200.00 840.6105_17.09 73400.00 67900.00 67100.00 43400.00 45300.00 45500.00 829.6424_17.11 231000.00 234000.00 233000.00 136000.00 137000.00 137000.00 596.5246_17.11 142000.00 134000.00 135000.00 93100.00 88500.00 88300.00 613.5148_17.11 89700.00 86100.00 79600.00 58500.00 63900.00 64000.00 598.5154_17.12 570000.00 543000.00 561000.00 516000.00 525000.00 494000.00 581.525_17.12 362000.00 340000.00 342000.00 326000.00 318000.00 320000.00 695.503_17.13 240000.00 235000.00 231000.00 221000.00 227000.00 218000.00 598.5157_17.13 766000.00 735000.00 726000.00 629000.00 645000.00 649000.00 581.5252_17.13 635000.00 630000.00 654000.00 483000.00 509000.00 509000.00 695.5028_17.13 285000.00 278000.00 273000.00 243000.00 255000.00 245000.00 855.658_17.14 361000.00 371000.00 361000.00 228000.00 236000.00 224000.00 923.6464_17.14 82900.00 81200.00 78100.00 56000.00 60000.00 54700.00 885.5488_17.18 178000.00 168000.00 170000.00 80300.00 63200.00 80200.00 831.6579_17.45 61600.00 63700.00 58500.00 43800.00 45000.00 47000.00 857.6736_17.46 237000.00 242000.00 225000.00 148000.00 148000.00 154000.00 626.5467_17.57 599000.00 587000.00 573000.00 576000.00 548000.00 540000.00 609.5563_17.57 379000.00 351000.00 358000.00 337000.00 342000.00 339000.00 723.5343_17.57 313000.00 297000.00 309000.00 278000.00 288000.00 278000.00 626.5469_17.57 787000.00 760000.00 765000.00 679000.00 706000.00 701000.00 609.5566_17.57 531000.00 516000.00 533000.00 466000.00 469000.00 473000.00 723.5342_17.57 384000.00 385000.00 377000.00 331000.00 345000.00 351000.00 599.5259_17.58 60500.00 64400.00 63300.00 53800.00 57800.00 55500.00 SM(d18:1/24:0) 32900.00 20900.00 30500.00 22100.00 25100.00 27900.00 751.5653_17.94 49100.00 49300.00 50600.00 45800.00 47800.00 50300.00 654.5777_17.95 132000.00 119000.00 117000.00 114000.00 117000.00 102000.00 637.5874_17.95 62200.00 55900.00 56400.00 57600.00 55000.00 53900.00 654.5779_17.95 187000.00 175000.00 177000.00 158000.00 165000.00 160000.00 637.5875_17.95 94400.00 90200.00 100000.00 81800.00 91300.00 90900.00 751.5652_17.95 79200.00 84100.00 85200.00 69700.00 76300.00 71800.00 Cer(d18:1/24:1) 11100.00 12000.00 8250.00 8780.00 8240.00 7850.00 Cer(d18:0/22:0) 13400.00 10200.00 10800.00 12400.00 11200.00 12000.00 384.9344_18.05 1270000.00 1270000.00 1300000.00 1340000.00 1350000.00 1360000.00 384.9344_18.09 1290000.00 1270000.00 1310000.00 1350000.00 1370000.00 1370000.00 384.9345_18.1 1480000.00 1460000.00 1510000.00 1630000.00 1660000.00 1660000.00 452.9218_18.11 1360000.00 1380000.00 1390000.00 1500000.00 1400000.00 1250000.00 452.9218_18.14 1140000.00 1160000.00 1180000.00 1320000.00 1540000.00 1540000.00 384.9344_18.14 1400000.00 1390000.00 1430000.00 1500000.00 1520000.00 1520000.00 Cer(d18:1/24:0) 29100.00 29200.00 29400.00 21900.00 22200.00 23300.00 473.282_18.48 1300000.00 1300000.00 1270000.00 1270000.00 1250000.00 1250000.00 473.282_18.5 1140000.00 1130000.00 1110000.00 1110000.00 1110000.00 1100000.00 99.9255_18.62 2460000.00 2300000.00 2200000.00 2310000.00 2340000.00 2350000.00 224.0561_18.86 1090000.00 1100000.00 1090000.00 1090000.00 1080000.00 1060000.00 364.962_19.9354 1030000.00 1020000.00 985000.00 986000.00 989000.00 990000.00 364.962_19.9405 1180000.00 1170000.00 991000.00 1140000.00 1140000.00 1140000.00 364.9622_20.14 1500000.00 1540000.00 1570000.00 1590000.00 1620000.00 1610000.00 364.9619_20.14 838000.00 870000.00 876000.00 892000.00 900000.00 891000.00 364.9619_20.2 910000.00 943000.00 959000.00 967000.00 983000.00 973000.00 243.9527_20.42 1450000.00 1440000.00 1420000.00 1400000.00 1420000.00 1410000.00 243.9527_20.436 1420000.00 1400000.00 1380000.00 1390000.00 1390000.00 1390000.00 243.9527_20.4382 1440000.00 1430000.00 1410000.00 1410000.00 1420000.00 1410000.00 243.9527_20.46 1330000.00 1360000.00 1320000.00 1300000.00 1300000.00 1260000.00 243.9527_20.48 1360000.00 1390000.00 1360000.00 1320000.00 1330000.00 1280000.00 265.1474_20.5 1570000.00 1560000.00 1570000.00 1590000.00 1600000.00 1600000.00 265.1475_20.5 561000.00 568000.00 578000.00 592000.00 607000.00 605000.00 401.9244_20.88 197000.00 189000.00 184000.00 180000.00 183000.00 183000.00 265.9501_20.88 164000.00 167000.00 161000.00 160000.00 160000.00 165000.00 537.8994_20.89 198000.00 184000.00 186000.00 187000.00 186000.00 183000.00 605.8867_20.89 171000.00 175000.00 170000.00 167000.00 164000.00 165000.00 673.8742_20.89 113000.00 112000.00 113000.00 107000.00 114000.00 109000.00 741.8616_20.89 94400.00 89600.00 89100.00 87900.00 84500.00 87700.00 333.9371_20.89 226000.00 245000.00 248000.00 223000.00 342000.00 327000.00 469.9117_20.89 176000.00 181000.00 182000.00 179000.00 183000.00 191000.00 401.9244_20.89 168000.00 180000.00 170000.00 169000.00 179000.00 174000.00 452.9219_20.9 1730000.00 1730000.00 1650000.00 1630000.00 1650000.00 1620000.00 588.8971_20.9 632000.00 628000.00 627000.00 629000.00 613000.00 612000.00 384.9344_20.9 1680000.00 1660000.00 1600000.00 1590000.00 1580000.00 1590000.00 656.8844_20.9 356000.00 341000.00 349000.00 341000.00 346000.00 347000.00 724.8717_20.9 268000.00 255000.00 260000.00 241000.00 251000.00 246000.00 792.859_20.9 185000.00 174000.00 173000.00 165000.00 171000.00 168000.00 469.9119_20.9 208000.00 206000.00 201000.00 203000.00 202000.00 199000.00 860.8461_20.9 116000.00 110000.00 108000.00 106000.00 104000.00 105000.00 928.8333_20.9 73700.00 70800.00 64900.00 68500.00 66900.00 68500.00 588.8969_20.9 581000.00 578000.00 576000.00 571000.00 572000.00 548000.00 792.8587_20.9 153000.00 154000.00 161000.00 158000.00 157000.00 160000.00 537.8992_20.9 166000.00 171000.00 166000.00 169000.00 173000.00 175000.00 605.8867_20.9 142000.00 145000.00 150000.00 154000.00 156000.00 149000.00 860.8459_20.9 94000.00 101000.00 96100.00 100000.00 96700.00 100000.00 673.8741_20.9 103000.00 97800.00 94100.00 99800.00 98100.00 104000.00 741.8615_20.9 74200.00 78900.00 76900.00 77000.00 80500.00 83500.00 520.9094_20.9009 1080000.00 1060000.00 1020000.00 858000.00 1060000.00 775000.00 520.9094_20.902 692000.00 663000.00 797000.00 992000.00 951000.00 717000.00 197.9631_20.9096 706000.00 705000.00 703000.00 703000.00 712000.00 703000.00 248.97_20.91 14600000.00 15300000.00 14900000.00 14600000.00 14300000.00 14700000.00 316.9474_20.91 2720000.00 2690000.00 2650000.00 2610000.00 2590000.00 2620000.00 180.9743_20.91 396000.00 353000.00 333000.00 382000.00 348000.00 370000.00 333.9371_20.91 366000.00 349000.00 315000.00 351000.00 279000.00 253000.00 248.9702_20.91 12700000.00 12800000.00 12800000.00 12400000.00 8570000.00 12500000.00 316.9472_20.91 4830000.00 4940000.00 4890000.00 5090000.00 5070000.00 5050000.00 452.9219_20.91 1490000.00 1570000.00 1550000.00 1550000.00 1530000.00 1530000.00 384.9344_20.91 1540000.00 2880000.00 1570000.00 1570000.00 3110000.00 3120000.00 656.8842_20.91 314000.00 312000.00 320000.00 317000.00 316000.00 307000.00 724.8715_20.91 228000.00 232000.00 226000.00 229000.00 226000.00 224000.00 180.9742_20.91 393000.00 319000.00 384000.00 366000.00 375000.00 328000.00 197.9631_20.9103 752000.00 751000.00 747000.00 749000.00 756000.00 745000.00 265.9502_20.92 156000.00 160000.00 161000.00 156000.00 159000.00 159000.00 197.9631_20.92 651000.00 600000.00 665000.00 255000.00 644000.00 192000.00 129.9757_20.9504 2250000.00 2220000.00 2150000.00 1920000.00 2010000.00 2140000.00 129.9757_20.9506 2160000.00 4080000.00 4200000.00 2230000.00 2150000.00 2100000.00 158.9755_20.96 194000000.00 195000000.00 193000000.00 191000000.00 190000000.00 191000000.00 100.9335_20.96 168000000.00 166000000.00 164000000.00 164000000.00 164000000.00 166000000.00 156.9811_20.96 9270000.00 9280000.00 9030000.00 9000000.00 8930000.00 8970000.00 1079.9765_20.96 5730000.00 5750000.00 5670000.00 5590000.00 5480000.00 5400000.00 130.929_20.96 195000.00 191000.00 129000.00 195000.00 145000.00 182000.00 226.9634_20.96 184000.00 188000.00 191000.00 172000.00 187000.00 167000.00 132.9235_20.96 22900000.00 22500000.00 22400000.00 22400000.00 22800000.00 22900000.00 1079.9762_20.96 4850000.00 4900000.00 4840000.00 4860000.00 4940000.00 4910000.00 132.9234_20.97 24600000.00 25000000.00 25700000.00 25900000.00 25400000.00 25200000.00 115.9206_20.97 23100000.00 23100000.00 24200000.00 24500000.00 24100000.00 23700000.00 158.9755_20.97 168000000.00 168000000.00 171000000.00 172000000.00 174000000.00 177000000.00 100.9335_20.97 156000000.00 154000000.00 153000000.00 156000000.00 157000000.00 159000000.00 156.9811_20.97 8380000.00 8410000.00 8520000.00 8550000.00 8680000.00 8740000.00 226.9636_20.97 162000.00 139000.00 165000.00 148000.00 162000.00 153000.00 115.9207_20.97 22300000.00 21500000.00 21000000.00 21300000.00 21700000.00 21900000.00 113.926_20.98 173000.00 168000.00 150000.00 142000.00 169000.00 165000.00 115.9206_20.98 23000000.00 23100000.00 24100000.00 24400000.00 24100000.00 23600000.00 192.9287_20.99 180000.00 170000.00 176000.00 171000.00 173000.00 160000.00 234.9266_20.99 91700.00 92800.00 89000.00 95200.00 92700.00 87100.00 146.9235_21 164000.00 167000.00 161000.00 162000.00 166000.00 156000.00 192.9286_21 143000.00 148000.00 144000.00 130000.00 142000.00 129000.00 146.9237_21 145000.00 136000.00 132000.00 132000.00 134000.00 126000.00 185.9111_21.0065 95600.00 85000.00 88800.00 92000.00 83000.00 82400.00 185.9111_21.0069 78100.00 75100.00 76000.00 76100.00 80300.00 75700.00 218.9284_21.008 5610000.00 5810000.00 5830000.00 5930000.00 5880000.00 5890000.00 218.9284_21.0089 5330000.00 5170000.00 5480000.00 5410000.00 5590000.00 5650000.00 146.9659_21.01 1780000.00 1750000.00 1750000.00 1780000.00 1760000.00 1730000.00 209.919_21.01 93600.00 98600.00 97400.00 98900.00 98700.00 101000.00 146.966_21.01 10100000.00 10300000.00 10000000.00 9490000.00 9340000.00 9030000.00 202.9487_21.02 115000.00 116000.00 90300.00 100000.00 108000.00 105000.00 223.9874_21.02 112000.00 110000.00 109000.00 102000.00 101000.00 107000.00 202.9493_21.02 68200.00 65800.00 60700.00 66800.00 65000.00 60500.00 209.919_21.02 91800.00 86100.00 86000.00 85800.00 87000.00 86700.00 220.9243_21.0273 876000.00 980000.00 906000.00 911000.00 1020000.00 1060000.00 220.9243_21.0291 1040000.00 1040000.00 1020000.00 878000.00 972000.00 934000.00 226.909_21.03 216000.00 209000.00 213000.00 208000.00 211000.00 206000.00 250.9002_21.03 1020000.00 994000.00 889000.00 824000.00 1050000.00 987000.00 223.987_21.03 122000.00 124000.00 124000.00 124000.00 108000.00 122000.00 282.872_21.03 221000.00 220000.00 227000.00 267000.00 341000.00 288000.00 191.9461_21.0306 116000.00 115000.00 112000.00 110000.00 112000.00 108000.00 191.9461_21.0312 96100.00 90500.00 95800.00 93000.00 94900.00 93200.00 141.0041_21.0364 133000.00 137000.00 137000.00 134000.00 129000.00 125000.00 123.0121_21.04 399000.00 418000.00 408000.00 438000.00 394000.00 416000.00 68.9956_21.04 621000.00 718000.00 612000.00 617000.00 829000.00 625000.00 218.9892_21.04 275000.00 264000.00 253000.00 322000.00 302000.00 311000.00 212.9108_21.04 102000.00 101000.00 107000.00 95600.00 98900.00 91100.00 194.9896_21.04 244000.00 227000.00 203000.00 234000.00 169000.00 201000.00 192.9907_21.04 2450000.00 169000.00 2420000.00 177000.00 2390000.00 2400000.00 282.8721_21.04 351000.00 459000.00 360000.00 307000.00 259000.00 292000.00 200.9982_21.04 150000.00 252000.00 184000.00 197000.00 232000.00 181000.00 250.9954_21.04 99000.00 106000.00 104000.00 123000.00 122000.00 115000.00 268.9903_21.04 74100.00 75400.00 74400.00 72700.00 69100.00 73000.00 168.9902_21.04 107000.00 108000.00 107000.00 101000.00 97700.00 101000.00 244.9905_21.04 94500.00 105000.00 104000.00 110000.00 97000.00 104000.00 140.0124_21.04 131000.00 134000.00 127000.00 129000.00 131000.00 130000.00 140.0183_21.04 202000.00 205000.00 196000.00 196000.00 199000.00 201000.00 276.9929_21.04 110000.00 107000.00 105000.00 101000.00 107000.00 101000.00 188.9518_21.04 84900.00 79600.00 80300.00 81100.00 80000.00 77500.00 139.0157_21.04 5500000.00 5360000.00 5340000.00 5300000.00 5270000.00 5280000.00 226.9091_21.04 187000.00 189000.00 188000.00 185000.00 180000.00 186000.00 218.9894_21.04 311000.00 257000.00 309000.00 271000.00 278000.00 339000.00 200.998_21.04 130000.00 108000.00 130000.00 109000.00 132000.00 105000.00 168.9904_21.04 82700.00 100000.00 95700.00 92700.00 93800.00 87600.00 250.9957_21.04 144000.00 151000.00 144000.00 98200.00 149000.00 84500.00 170.9829_21.04 186000.00 190000.00 184000.00 179000.00 180000.00 175000.00 212.9109_21.04 86400.00 89400.00 88900.00 80100.00 82400.00 77600.00 130.9925_21.04 147000.00 147000.00 140000.00 140000.00 140000.00 139000.00 141.0041_21.0409 133000.00 125000.00 127000.00 126000.00 125000.00 127000.00 123.0121_21.0429 413000.00 412000.00 412000.00 407000.00 433000.00 409000.00 112.9856_21.0451 21000000.00 21000000.00 20700000.00 20600000.00 20400000.00 20400000.00 243.8994_21.0459 2880000.00 2850000.00 2850000.00 2770000.00 2790000.00 2790000.00 243.8994_21.0497 2830000.00 2840000.00 2780000.00 2780000.00 2790000.00 2790000.00 130.9925_21.05 167000.00 166000.00 162000.00 175000.00 159000.00 158000.00 230.9891_21.05 79400.00 74500.00 70800.00 68100.00 68800.00 70800.00 113.9888_21.05 122000.00 125000.00 135000.00 126000.00 104000.00 126000.00 68.9956_21.05 597000.00 624000.00 654000.00 609000.00 749000.00 623000.00 194.9896_21.05 204000.00 204000.00 171000.00 178000.00 189000.00 174000.00 276.9932_21.05 95400.00 114000.00 114000.00 117000.00 115000.00 115000.00 188.9518_21.05 77500.00 80500.00 81200.00 76600.00 75000.00 73300.00 244.9904_21.05 87700.00 99100.00 90800.00 95300.00 97800.00 93000.00 192.99_21.05 147000.00 149000.00 144000.00 148000.00 145000.00 146000.00 112.9856_21.0506 20600000.00 19800000.00 21000000.00 20700000.00 20600000.00 20200000.00 239.0955_21.06 217000.00 209000.00 209000.00 205000.00 204000.00 197000.00 200.8586_21.06 167000.00 161000.00 154000.00 161000.00 151000.00 154000.00 165.0589_21.06 199000.00 185000.00 191000.00 180000.00 189000.00 181000.00 239.0956_21.06 196000.00 201000.00 196000.00 194000.00 194000.00 193000.00 165.059_21.06 176000.00 180000.00 182000.00 175000.00 181000.00 176000.00 200.8585_21.06 151000.00 152000.00 143000.00 129000.00 128000.00 125000.00 250.9002_21.06 889000.00 903000.00 898000.00 923000.00 1030000.00 1070000.00 116.9279_21.0655 5230000.00 5340000.00 5450000.00 5210000.00 4990000.00 5030000.00 144.9231_21.067 742000.00 692000.00 478000.00 611000.00 744000.00 816000.00 116.9279_21.0672 5090000.00 11100000.00 4480000.00 11000000.00 11000000.00 11500000.00 207.1059_21.07 78900.00 84800.00 82700.00 89800.00 84700.00 73800.00 144.9231_21.071 399000.00 526000.00 534000.00 499000.00 439000.00 420000.00 79.9572_21.0788 431000.00 358000.00 383000.00 597000.00 652000.00 402000.00 175.8737_21.08 318000.00 293000.00 308000.00 277000.00 275000.00 250000.00 95.9165_21.08 145000.00 142000.00 140000.00 145000.00 152000.00 147000.00 207.1058_21.08 72100.00 67800.00 67200.00 69300.00 66600.00 68200.00 79.9572_21.0801 535000.00 524000.00 440000.00 614000.00 399000.00 667000.00 95.9165_21.09 185000.00 179000.00 165000.00 168000.00 168000.00 172000.00 249.1525_21.09 71700.00 69000.00 67000.00 65400.00 65400.00 61600.00 342.7632_21.09 52500.00 52900.00 52300.00 49900.00 53800.00 46800.00 175.8737_21.09 243000.00 229000.00 251000.00 255000.00 249000.00 247000.00 310.7913_21.1 99200.00 95100.00 93300.00 94100.00 73600.00 74000.00 310.7914_21.1 62100.00 63000.00 64200.00 66300.00 60200.00 62500.00 224.8663_21.10116 225000.00 237000.00 241000.00 248000.00 229000.00 226000.00 224.8663_21.10123 237000.00 243000.00 249000.00 248000.00 254000.00 243000.00 213.0146_21.13 71500.00 67800.00 63400.00 67400.00 68200.00 65300.00 206.9729_21.2 543000.00 537000.00 534000.00 522000.00 510000.00 514000.00 246.8479_21.2226 134000.00 131000.00 137000.00 138000.00 132000.00 134000.00 246.8479_21.2236 165000.00 165000.00 164000.00 167000.00 167000.00 140000.00 252.9154_21.23 96900.00 102000.00 101000.00 100000.00 102000.00 96600.00 252.9155_21.24 86700.00 84600.00 84100.00 81200.00 74200.00 80900.00 249.978_21.25 3010000.00 2900000.00 2920000.00 3000000.00 2970000.00 2910000.00 205.9881_21.25 162000.00 144000.00 158000.00 156000.00 153000.00 144000.00 247.9824_21.25 158000.00 152000.00 155000.00 150000.00 153000.00 151000.00 180.9736_21.2508 908000.00 687000.00 886000.00 686000.00 865000.00 561000.00 180.9736_21.2528 733000.00 700000.00 810000.00 815000.00 712000.00 899000.00 205.9881_21.26 98100.00 97000.00 96000.00 95100.00 92900.00 91400.00 247.9823_21.26 111000.00 111000.00 111000.00 111000.00 107000.00 107000.00 249.9781_21.27 2700000.00 2720000.00 2650000.00 2600000.00 2520000.00 2530000.00 366.9045_21.28 138000.00 133000.00 146000.00 151000.00 144000.00 134000.00 145.9308_21.29 2210000.00 2710000.00 2210000.00 2590000.00 2250000.00 3150000.00 366.9045_21.29 97300.00 98900.00 94200.00 92500.00 88000.00 85300.00 235.9261_21.3 7120000.00 6830000.00 9110000.00 8710000.00 9170000.00 8140000.00 233.9307_21.3 391000.00 323000.00 391000.00 388000.00 383000.00 309000.00 543.7806_21.3 96800.00 102000.00 109000.00 103000.00 102000.00 98800.00 209.9278_21.3 134000.00 126000.00 132000.00 128000.00 134000.00 128000.00 145.9308_21.3 1870000.00 2580000.00 2690000.00 2290000.00 2020000.00 1890000.00 352.8527_21.31 1720000.00 1780000.00 1300000.00 1610000.00 1640000.00 1770000.00 469.7802_21.31 343000.00 337000.00 354000.00 352000.00 333000.00 320000.00 152.9787_21.31 237000.00 223000.00 230000.00 226000.00 226000.00 219000.00 235.9262_21.31 7460000.00 5760000.00 8330000.00 6840000.00 7740000.00 6580000.00 233.9307_21.31 276000.00 280000.00 262000.00 261000.00 266000.00 260000.00 352.8528_21.32 1540000.00 1470000.00 1500000.00 1370000.00 1370000.00 1230000.00 283.9385_21.32 488000.00 479000.00 484000.00 478000.00 478000.00 466000.00 469.7801_21.32 243000.00 253000.00 240000.00 236000.00 224000.00 233000.00 660.7081_21.3257 216000.00 208000.00 204000.00 198000.00 211000.00 182000.00 660.7081_21.3295 147000.00 138000.00 135000.00 130000.00 108000.00 114000.00 283.9385_21.33 594000.00 588000.00 594000.00 617000.00 606000.00 570000.00 163.9405_21.33 560000.00 575000.00 546000.00 567000.00 573000.00 496000.00 395.7796_21.33 94100.00 82200.00 86000.00 85400.00 87000.00 85200.00 207.931_21.34 5410000.00 4820000.00 4740000.00 4870000.00 4370000.00 4820000.00 498.7829_21.35 893000.00 850000.00 874000.00 867000.00 864000.00 803000.00 207.931_21.35 4130000.00 4460000.00 4900000.00 4990000.00 4150000.00 3970000.00 498.783_21.35 673000.00 663000.00 640000.00 628000.00 623000.00 618000.00 163.9406_21.36 452000.00 459000.00 428000.00 449000.00 442000.00 410000.00 307.8554_21.3683 1830000.00 2070000.00 1660000.00 1780000.00 1830000.00 1860000.00 307.8554_21.3716 2350000.00 2060000.00 2260000.00 2300000.00 2250000.00 1750000.00 239.9026_21.39 1650000.00 1630000.00 1420000.00 1630000.00 1470000.00 1390000.00 239.9025_21.42 1980000.00 1950000.00 2000000.00 1940000.00 1750000.00 1750000.00 241.891_21.43 908000.00 976000.00 856000.00 866000.00 812000.00 950000.00 239.9026_21.43 1510000.00 1550000.00 1550000.00 1560000.00 1530000.00 1490000.00 190.9285_21.44 7830000.00 8360000.00 7570000.00 7590000.00 8020000.00 7040000.00 190.9285_21.45 7970000.00 7960000.00 8080000.00 7830000.00 7610000.00 7390000.00 241.891_21.46 975000.00 1170000.00 1170000.00 1040000.00 1160000.00 1020000.00 239.9025_21.46 2000000.00 1970000.00 2020000.00 1970000.00 1950000.00 1900000.00 190.9285_21.47 6320000.00 6650000.00 7560000.00 6450000.00 6290000.00 7170000.00 239.9025_21.48 1940000.00 1880000.00 1950000.00 1890000.00 1880000.00 1830000.00 190.9285_21.49 6360000.00 6330000.00 6260000.00 5990000.00 6040000.00 5660000.00 239.9025_21.5 1870000.00 1840000.00 1890000.00 1830000.00 1820000.00 1770000.00 96.9673_21.52 9500000.00 9350000.00 7960000.00 8450000.00 9090000.00 6790000.00 336.8579_21.5319 1150000.00 1150000.00 1180000.00 1110000.00 1060000.00 1010000.00 336.8579_21.5326 1170000.00 1110000.00 1200000.00 1130000.00 1050000.00 1020000.00 96.9675_21.54 9090000.00 9210000.00 9450000.00 8770000.00 8380000.00 8580000.00 203.9366_21.54 773000.00 764000.00 752000.00 727000.00 719000.00 710000.00 102.9486_21.55 889000.00 803000.00 887000.00 737000.00 809000.00 777000.00 146.9384_21.55 5590000.00 5560000.00 4650000.00 5250000.00 5290000.00 5230000.00 146.9384_21.5574 5720000.00 5720000.00 5440000.00 5390000.00 5460000.00 4690000.00 146.9384_21.5587 5470000.00 5460000.00 5340000.00 5160000.00 5180000.00 5120000.00 336.8579_21.5675 903000.00 892000.00 862000.00 806000.00 815000.00 805000.00 336.8579_21.569 1150000.00 1150000.00 1180000.00 941000.00 1060000.00 916000.00 196.8927_21.57 766000.00 660000.00 782000.00 686000.00 756000.00 672000.00 146.9384_21.57 5250000.00 5510000.00 5760000.00 5580000.00 5430000.00 5250000.00 146.9384_21.58 4630000.00 4530000.00 5400000.00 4370000.00 5240000.00 3620000.00 196.8928_21.59 685000.00 674000.00 665000.00 656000.00 648000.00 614000.00 196.8926_21.61 816000.00 839000.00 796000.00 820000.00 804000.00 788000.00 336.8579_21.62 787000.00 880000.00 856000.00 798000.00 809000.00 752000.00 102.9486_21.63 854000.00 853000.00 867000.00 817000.00 788000.00 728000.00 196.8928_21.63 704000.00 688000.00 607000.00 575000.00 664000.00 674000.00 MS_METABOLITE_DATA_END #METABOLITES METABOLITES_START metabolite_name retention index quantified m/z PubChem ID KEGG ID Adduct type 190.9283_0.54 0.54 190.9283 M-H 146.9383_0.54 0.54 146.9383 M-H 206.9726_0.55 0.55 206.9726 M-H 174.9561_0.55 0.55 174.9561 M-H 180.9736_0.57 0.57 180.9736 M-H 112.9855_0.57 0.57 112.9855 M-H 157.0528_0.57 0.57 157.0528 M-H 154.0617_0.58 0.58 154.0617 M-H 180.9735_0.58 0.58 180.9735 M-H 112.9855_0.58 0.58 112.9855 M-H 102.9569_0.59 0.59 102.9569 M-H 104.9538_0.59 0.59 104.9538 M-H 112.0515_0.6 0.6 112.0515 M-H 157.0534_0.6 0.6 157.0534 M-H 278.8294_0.6 0.6 278.8294 M-H 92.9277_0.61 0.61 92.9277 M-H 94.9247_0.61 0.61 94.9247 M-H 197.8077_0.61 0.61 197.8077 M-H 195.8109_0.61 0.61 195.8109 M-H 199.8048_0.61 0.61 199.8048 M-H 110.8985_0.61 0.61 110.8985 M-H 108.9013_0.61 0.61 108.9013 M-H 96.9216_0.61 0.61 96.9216 M-H 162.8389_0.61 0.61 162.8389 M-H 155.0451_0.61 0.61 155.0451 M-H 160.8419_0.61 0.61 160.8419 M-H 336.7878_0.61 0.61 336.7878 M-H 145.0618_0.61 0.61 145.0618 M-H 179.0561_0.61 0.61 179.0561 M-H 357.0288_0.61 0.61 357.0288 M-H 154.0621_0.61 0.61 154.0621 M-H 300.0386_0.62 0.62 300.0386 M-H 219.0451_0.62 0.62 219.0451 M-H 253.0074_0.62 0.62 253.0074 M-H 217.0307_0.62 0.62 217.0307 M-H 92.9281_0.62 0.62 92.9281 M-H 94.9251_0.62 0.62 94.9251 M-H 96.9221_0.62 0.62 96.9221 M-H 560.591_0.62 0.62 560.591 M-H 562.5882_0.62 0.62 562.5882 M-H 208.8452_0.62 0.62 208.8452 M-H 618.5502_0.62 0.62 618.5502 M-H 620.5473_0.62 0.62 620.5473 M-H 440.679_0.62 0.62 440.679 M-H 678.5062_0.62 0.62 678.5062 M-H 154.8808_0.62 0.62 154.8808 M-H 616.5532_0.62 0.62 616.5532 M-H 566.5832_0.62 0.62 566.5832 M-H 578.562_0.62 0.62 578.562 M-H 446.6706_0.62 0.62 446.6706 M-H 558.5938_0.62 0.62 558.5938 M-H 330.7536_0.62 0.62 330.7536 M-H 504.6295_0.62 0.62 504.6295 M-H 414.9871_0.62 0.62 414.9871 M-H 284.7745_0.62 0.62 284.7745 M-H 286.7717_0.62 0.62 286.7717 M-H 110.8991_0.62 0.62 110.8991 M-H 282.7774_0.62 0.62 282.7774 M-H 108.902_0.62 0.62 108.902 M-H 342.7328_0.62 0.62 342.7328 M-H 195.0514_0.6239 0.6239 195.0514 M-H 195.0514_0.6247 0.6247 195.0514 M-H 135.0297_0.63 0.63 135.0297 M-H 215.0326_0.63 0.63 215.0326 M-H 165.0413_0.63 0.63 165.0413 M-H 377.0895_0.63 0.63 377.0895 M-H 245.0416_0.63 0.63 245.0416 M-H 193.034_0.63 0.63 193.034 M-H 268.8009_0.63 0.63 268.8009 M-H 270.798_0.63 0.63 270.798 M-H 266.8038_0.63 0.63 266.8038 M-H 326.7591_0.63 0.63 326.7591 M-H 444.6734_0.63 0.63 444.6734 M-H 210.8423_0.63 0.63 210.8423 M-H 328.7562_0.63 0.63 328.7562 M-H 502.6322_0.63 0.63 502.6322 M-H 442.6764_0.63 0.63 442.6764 M-H 152.8838_0.63 0.63 152.8838 M-H 150.8866_0.63 0.63 150.8866 M-H 386.7148_0.63 0.63 386.7148 M-H 272.7949_0.63 0.63 272.7949 M-H 324.762_0.63 0.63 324.762 M-H 212.8395_0.63 0.63 212.8395 M-H 388.7121_0.63 0.63 388.7121 M-H 506.6268_0.63 0.63 506.6268 M-H 676.5095_0.63 0.63 676.5095 M-H 622.545_0.63 0.63 622.545 M-H 680.5036_0.63 0.63 680.5036 M-H 500.6351_0.63 0.63 500.6351 M-H 384.7176_0.63 0.63 384.7176 M-H 313.0649_0.63 0.63 313.0649 M-H 179.0558_0.64 0.64 179.0558 M-H 191.055_0.64 0.64 191.055 M-H 256.0586_0.64 0.64 256.0586 M-H 151.0065_0.64 0.64 151.0065 M-H 154.9266_0.64 0.64 154.9266 M-H 258.0632_0.64 0.64 258.0632 M-H 156.9237_0.64 0.64 156.9237 M-H 163.0237_0.64 0.64 163.0237 M-H 185.0205_0.64 0.64 185.0205 M-H 157.032_0.64 0.64 157.032 M-H 215.0332_0.64 0.64 215.0332 M-H 162.8391_0.64 0.64 162.8391 M-H 135.0299_0.64 0.64 135.0299 M-H 199.038_0.64 0.64 199.038 M-H 164.8364_0.64 0.64 164.8364 M-H 351.019_0.64 0.64 351.019 M-H 149.0452_0.65 0.65 149.0452 M-H 254.9819_0.65 0.65 254.9819 M-H 243.0619_0.65 0.65 243.0619 M-H 124.9911_0.65 0.65 124.9911 M-H 281.0532_0.65 0.65 281.0532 M-H 199.0364_0.65 0.65 199.0364 M-H 177.0397_0.65 0.65 177.0397 M-H 347.0817_0.65 0.65 347.0817 M-H 105.0187_0.65 0.65 105.0187 M-H 290.0862_0.65 0.65 290.0862 M-H 183.0093_0.65 0.65 183.0093 M-H 126.9041_0.65 0.65 126.9041 M-H 201.0496_0.65 0.65 201.0496 M-H 160.8421_0.65 0.65 160.8421 M-H 195.8111_0.65 0.65 195.8111 M-H 199.8051_0.65 0.65 199.8051 M-H 736.4656_0.65 0.65 736.4656 M-H 472.9459_0.65 0.65 472.9459 M-H 474.943_0.65 0.65 474.943 M-H 146.0461_0.65 0.65 146.0461 M-H 422.9617_0.65 0.65 422.9617 M-H 590.8606_0.65 0.65 590.8606 M-H 588.864_0.65 0.65 588.864 M-H 648.8197_0.65 0.65 648.8197 M-H 530.9051_0.65 0.65 530.9051 M-H 532.9017_0.65 0.65 532.9017 M-H 126.0155_0.66 0.66 126.0155 M-H 197.0221_0.66 0.66 197.0221 M-H 87.0083_0.66 0.66 87.0083 M-H 144.0299_0.66 0.66 144.0299 M-H 137.0341_0.66 0.66 137.0341 M-H 197.8079_0.66 0.66 197.8079 M-H 335.0472_0.66 0.66 335.0472 M-H 393.0052_0.66 0.66 393.0052 M-H 395.0028_0.66 0.66 395.0028 M-H 167.0212_0.67 0.67 167.0212 M-H 173.9866_0.67 0.67 173.9866 M-H 335.0488_0.67 0.67 335.0488 M-H 188.0021_0.67 0.67 188.0021 M-H 224.9801_0.67 0.67 224.9801 M-H 357.0306_0.67 0.67 357.0306 M-H 286.9744_0.67 0.67 286.9744 M-H 163.0606_0.67 0.67 163.0606 M-H 187.0701_0.67 0.67 187.0701 M-H 209.0199_0.67 0.67 209.0199 M-H 133.0137_0.67 0.67 133.0137 M-H 269.057_0.67 0.67 269.057 M-H 145.0135_0.67 0.67 145.0135 M-H 175.0695_0.67 0.67 175.0695 M-H 233.0439_0.67 0.67 233.0439 M-H 167.0213_0.67 0.67 167.0213 M-H 87.0088_0.67 0.67 87.0088 M-H 466.9389_0.67 0.67 466.9389 M-H 737.0473_0.67 0.67 737.0473 M-H 224.9798_0.67 0.67 224.9798 M-H 133.014_0.67 0.67 133.014 M-H 715.0653_0.67 0.67 715.0653 M-H 606.8345_0.67 0.67 606.8345 M-H 119.0351_0.68 0.68 119.0351 M-H 197.0674_0.68 0.68 197.0674 M-H 263.0203_0.68 0.68 263.0203 M-H 365.094_0.68 0.68 365.094 M-H 450.964_0.68 0.68 450.964 M-H 408.9789_0.68 0.68 408.9789 M-H 286.9332_0.68 0.68 286.9332 M-H 344.8917_0.68 0.68 344.8917 M-H 505.0918_0.68 0.68 505.0918 M-H 173.0091_0.69 0.69 173.0091 M-H 129.0192_0.69 0.69 129.0192 M-H 85.0294_0.69 0.69 85.0294 M-H 111.0088_0.69 0.69 111.0088 M-H 260.0231_0.69 0.69 260.0231 M-H 222.9913_0.69 0.69 222.9913 M-H 955.9717_0.69 0.69 955.9717 M-H 190.9654_0.69 0.69 190.9654 M-H 208.9853_0.69 0.69 208.9853 M-H 151.0255_0.69 0.69 151.0255 M-H 957.9691_0.69 0.69 957.9691 M-H 249.0062_0.69 0.69 249.0062 M-H 956.9742_0.69 0.69 956.9742 M-H 216.0947_0.69 0.69 216.0947 M-H 452.9611_0.69 0.69 452.9611 M-H 649.1194_0.69 0.69 649.1194 M-H 693.0835_0.69 0.69 693.0835 M-H 571.0375_0.69 0.69 571.0375 M-H 671.1013_0.69 0.69 671.1013 M-H 408.8585_0.69 0.69 408.8585 M-H 191.0192_0.7 0.7 191.0192 M-H 225.0625_0.7 0.7 225.0625 M-H 115.0035_0.7 0.7 115.0035 M-H 192.9817_0.7 0.7 192.9817 M-H 221.0663_0.7 0.7 221.0663 M-H 138.0196_0.7 0.7 138.0196 M-H 319.0661_0.7 0.7 319.0661 M-H 171.0394_0.7 0.7 171.0394 M-H 324.0721_0.7 0.7 324.0721 M-H 494.1154_0.7 0.7 494.1154 M-H 398.0403_0.7 0.7 398.0403 M-H 308.0961_0.7 0.7 308.0961 M-H 201.8015_0.7 0.7 201.8015 M-H 71.0134_0.7 0.7 71.0134 M-H 384.0468_0.7 0.7 384.0468 M-H 160.0613_0.7 0.7 160.0613 M-H 159.0314_0.7 0.7 159.0314 M-H 292.0759_0.7 0.7 292.0759 M-H 371.0231_0.7 0.7 371.0231 M-H 549.0555_0.7 0.7 549.0555 M-H 388.8742_0.7 0.7 388.8742 M-H 230.0127_0.71 0.71 230.0127 M-H 326.0876_0.71 0.71 326.0876 M-H 181.0367_0.71 0.71 181.0367 M-H 189.0402_0.71 0.71 189.0402 M-H 133.0504_0.71 0.71 133.0504 M-H 227.997_0.71 0.71 227.997 M-H 349.0646_0.71 0.71 349.0646 M-H 246.0075_0.71 0.71 246.0075 M-H 215.1035_0.71 0.71 215.1035 M-H 233.012_0.71 0.71 233.012 M-H 356.0978_0.71 0.71 356.0978 M-H 274.0022_0.71 0.71 274.0022 M-H 241.9761_0.71 0.71 241.9761 M-H 162.0216_0.71 0.71 162.0216 M-H 424.0609_0.71 0.71 424.0609 M-H 285.0613_0.71 0.71 285.0613 M-H 317.0671_0.71 0.71 317.0671 M-H 412.0557_0.71 0.71 412.0557 M-H 506.1483_0.71 0.71 506.1483 M-H 349.9662_0.71 0.71 349.9662 M-H 210.9841_0.71 0.71 210.9841 M-H 446.0418_0.71 0.71 446.0418 M-H 182.0453_0.71 0.71 182.0453 M-H 220.9827_0.71 0.71 220.9827 M-H 202.0716_0.71 0.71 202.0716 M-H 209.0606_0.71 0.71 209.0606 M-H 102.9568_0.71 0.71 102.9568 M-H 978.9773_0.71 0.71 978.9773 M-H 452.705_0.71 0.71 452.705 M-H 173.0093_0.71 0.71 173.0093 M-H 328.9184_0.71 0.71 328.9184 M-H 330.9158_0.71 0.71 330.9158 M-H 147.0296_0.72 0.72 147.0296 M-H 204.9813_0.72 0.72 204.9813 M-H 218.9969_0.72 0.72 218.9969 M-H 147.066_0.72 0.72 147.066 M-H 144.0664_0.72 0.72 144.0664 M-H 363.0793_0.72 0.72 363.0793 M-H 142.0505_0.72 0.72 142.0505 M-H 218.0489_0.72 0.72 218.0489 M-H 206.9969_0.72 0.72 206.9969 M-H 205.0343_0.72 0.72 205.0343 M-H 249.062_0.72 0.72 249.062 M-H 280.8266_0.72 0.72 280.8266 M-H 161.0455_0.73 0.73 161.0455 M-H 117.0192_0.73 0.73 117.0192 M-H 130.0487_0.73 0.73 130.0487 M-H 162.9912_0.73 0.73 162.9912 M-H 161.9866_0.73 0.73 161.9866 M-H 277.033_0.73 0.73 277.033 M-H 242.0119_0.73 0.73 242.0119 M-H 166.045_0.73 0.73 166.045 M-H 129.0195_0.73 0.73 129.0195 M-H 386.8766_0.73 0.73 386.8766 M-H 103.0371_0.74 0.74 103.0371 M-H 264.9902_0.74 0.74 264.9902 M-H 89.0243_0.74 0.74 89.0243 M-H 160.9957_0.74 0.74 160.9957 M-H 276.0019_0.74 0.74 276.0019 M-H 426.0679_0.74 0.74 426.0679 M-H 279.0979_0.74 0.74 279.0979 M-H 57.9756_0.74 0.74 57.9756 M-H 270.9598_0.74 0.74 270.9598 M-H 272.9577_0.74 0.74 272.9577 M-H 250.9758_0.74 0.74 250.9758 M-H 303.0708_0.75 0.75 303.0708 M-H 343.0673_0.75 0.75 343.0673 M-H 232.9765_0.75 0.75 232.9765 M-H 78.9588_0.75 0.75 78.9588 M-H 301.1092_0.75 0.75 301.1092 M-H 191.0198_0.75 0.75 191.0198 M-H 248.9763_0.75 0.75 248.9763 M-H 216.9812_0.76 0.76 216.9812 M-H 216.9161_0.76 0.76 216.9161 M-H 283.0998_0.76 0.76 283.0998 M-H 370.0774_0.76 0.76 370.0774 M-H 269.0876_0.76 0.76 269.0876 M-H 527.0736_0.76 0.76 527.0736 M-H 218.1031_0.77 0.77 218.1031 M-H 955.9716_0.78 0.78 955.9716 M-H 314.0684_0.78 0.78 314.0684 M-H 206.0747_0.79 0.79 206.0747 M-H 293.0491_0.79 0.79 293.0491 M-H 378.8166_0.79 0.79 378.8166 M-H 320.8581_0.79 0.79 320.8581 M-H 111.0086_0.79 0.79 111.0086 M-H 955.9716_0.79 0.79 955.9716 M-H 308.0983_0.79 0.79 308.0983 M-H 277.0735_0.7978 0.7978 277.0735 M-H 98.9566_0.8 0.8 98.9566 M-H 96.9619_0.8 0.8 96.9619 M-H 380.8138_0.8 0.8 380.8138 M-H 322.8555_0.8 0.8 322.8555 M-H 262.8999_0.8 0.8 262.8999 M-H 264.897_0.8 0.8 264.897 M-H 382.8112_0.8 0.8 382.8112 M-H 627.138_0.8 0.8 627.138 M-H 627.1377_0.8 0.8 627.1377 M-H 277.0735_0.8046 0.8046 277.0735 M-H 187.0423_0.81 0.81 187.0423 M-H 185.994_0.81 0.81 185.994 M-H 194.0461_0.82 0.82 194.0461 M-H 204.9415_0.82 0.82 204.9415 M-H 146.9832_0.83 0.83 146.9832 M-H 133.0139_0.83 0.83 133.0139 M-H 128.0354_0.84 0.84 128.0354 M-H 148.9803_0.84 0.84 148.9803 M-H 85.0296_0.84 0.84 85.0296 M-H 605.1555_0.85 0.85 605.1555 M-H 193.0251_0.85 0.85 193.0251 M-H 401.9529_0.85 0.85 401.9529 M-H 205.8396_0.86 0.86 205.8396 M-H 242.0797_0.86 0.86 242.0797 M-H 191.0197_0.86 0.86 191.0197 M-H 126.0141_0.86 0.86 126.0141 M-H 173.0093_0.86 0.86 173.0093 M-H 527.0736_0.86 0.86 527.0736 M-H 160.8421_0.87 0.87 160.8421 M-H 162.8391_0.87 0.87 162.8391 M-H 505.0917_0.87 0.87 505.0917 M-H 154.9269_0.87 0.87 154.9269 M-H 433.022_0.87 0.87 433.022 M-H 207.8365_0.88 0.88 207.8365 M-H 89.0245_0.88 0.88 89.0245 M-H 302.1008_0.88 0.88 302.1008 M-H 111.0086_0.88 0.88 111.0086 M-H 263.8782_0.89 0.89 263.8782 M-H 303.9197_0.89 0.89 303.9197 M-H 265.8752_0.89 0.89 265.8752 M-H 190.0939_0.89 0.89 190.0939 M-H 201.0376_0.89 0.89 201.0376 M-H 269.0875_0.89 0.89 269.0875 M-H 96.9634_0.9 0.9 96.9634 M-H 213.8892_0.9 0.9 213.8892 M-H 215.886_0.9 0.9 215.886 M-H 125.8731_0.9 0.9 125.8731 M-H 411.038_0.9 0.9 411.038 M-H 257.8189_0.91 0.91 257.8189 M-H 151.0259_0.91 0.91 151.0259 M-H 197.8079_0.91 0.91 197.8079 M-H 195.8109_0.91 0.91 195.8109 M-H 199.8051_0.91 0.91 199.8051 M-H 291.0828_0.91 0.91 291.0828 M-H 260.0232_0.92 0.92 260.0232 M-H 255.8218_0.92 0.92 255.8218 M-H 207.8366_0.93 0.93 207.8366 M-H 205.8397_0.93 0.93 205.8397 M-H 315.0414_0.93 0.93 315.0414 M-H 343.9943_0.94 0.94 343.9943 M-H 343.9942_0.94 0.94 343.9942 M-H 189.0404_0.95 0.95 189.0404 M-H 192.9813_0.95 0.95 192.9813 M-H 313.9045_0.95 0.95 313.9045 M-H 344.9976_0.95 0.95 344.9976 M-H 117.0193_0.96 0.96 117.0193 M-H 96.9639_0.96 0.96 96.9639 M-H 225.0626_0.97 0.97 225.0626 M-H 1024.0365_0.98 0.98 1024.0365 M-H 188.9867_0.98 0.98 188.9867 M-H 221.0665_0.98 0.98 221.0665 M-H 343.9942_0.98 0.98 343.9942 M-H 344.9978_0.98 0.98 344.9978 M-H 343.9943_0.98 0.98 343.9943 M-H 117.0193_0.99 0.99 117.0193 M-H 133.0505_0.99 0.99 133.0505 M-H 230.0129_1.01 1.01 230.0129 M-H 161.9866_1.01 1.01 161.9866 M-H 227.9972_1.01 1.01 227.9972 M-H 233.0121_1.01 1.01 233.0121 M-H 161.0456_1.01 1.01 161.0456 M-H 248.9729_1.01 1.01 248.9729 M-H 246.0077_1.01 1.01 246.0077 M-H 274.0029_1.01 1.01 274.0029 M-H 174.0989_1.01 1.01 174.0989 M-H 215.0329_1.01 1.01 215.0329 M-H 164.0717_1.01 1.01 164.0717 M-H 242.0857_1.01 1.01 242.0857 M-H 232.0579_1.01 1.01 232.0579 M-H 164.8362_1.01 1.01 164.8362 M-H 299.9712_1.01 1.01 299.9712 M-H 217.0302_1.01 1.01 217.0302 M-H 162.8391_1.01 1.01 162.8391 M-H 160.8422_1.0135 1.0135 160.8422 M-H 160.8422_1.0145 1.0145 160.8422 M-H 218.9965_1.02 1.02 218.9965 M-H 165.0418_1.02 1.02 165.0418 M-H 260.0232_1.02 1.02 260.0232 M-H 232.9767_1.02 1.02 232.9767 M-H 356.0979_1.02 1.02 356.0979 M-H 203.0023_1.02 1.02 203.0023 M-H 129.0192_1.02 1.02 129.0192 M-H 162.8391_1.02 1.02 162.8391 M-H 301.9681_1.02 1.02 301.9681 M-H 262.9883_1.03 1.03 262.9883 M-H 142.0508_1.03 1.03 142.0508 M-H 103.0401_1.03 1.03 103.0401 M-H 279.0987_1.04 1.04 279.0987 M-H 292.1396_1.04 1.04 292.1396 M-H 141.0191_1.05 1.05 141.0191 M-H 179.0555_1.05 1.05 179.0555 M-H 158.0821_1.05 1.05 158.0821 M-H 125.0245_1.05 1.05 125.0245 M-H 164.8361_1.05 1.05 164.8361 M-H 341.9987_1.05 1.05 341.9987 M-H 177.0228_1.06 1.06 177.0228 M-H 144.067_1.06 1.06 144.067 M-H 216.9813_1.06 1.06 216.9813 M-H 168.0304_1.07 1.07 168.0304 M-H 246.992_1.07 1.07 246.992 M-H 124.0404_1.07 1.07 124.0404 M-H 278.0699_1.07 1.07 278.0699 M-H 154.0146_1.07 1.07 154.0146 M-H 204.9814_1.08 1.08 204.9814 M-H 218.1034_1.08 1.08 218.1034 M-H 253.0828_1.08 1.08 253.0828 M-H 147.0663_1.09 1.09 147.0663 M-H 242.0126_1.09 1.09 242.0126 M-H 308.0769_1.09 1.09 308.0769 M-H 251.1134_1.09 1.09 251.1134 M-H 238.969_1.09 1.09 238.969 M-H 1125.9821_1.09 1.09 1125.9821 M-H 117.0557_1.1 1.1 117.0557 M-H 303.0718_1.1 1.1 303.0718 M-H 230.9973_1.11 1.11 230.9973 M-H 181.0534_1.11 1.11 181.0534 M-H 115.0401_1.11 1.11 115.0401 M-H 261.0073_1.12 1.12 261.0073 M-H 274.0385_1.12 1.12 274.0385 M-H 194.0461_1.13 1.13 194.0461 M-H 100.004_1.13 1.13 100.004 M-H 206.0749_1.14 1.14 206.0749 M-H 102.0306_1.14 1.14 102.0306 M-H 161.0818_1.14 1.14 161.0818 M-H 1127.0746_1.14 1.14 1127.0746 M-H 253.1186_1.14 1.14 253.1186 M-H 204.0623_1.14 1.14 204.0623 M-H 197.8078_1.14 1.14 197.8078 M-H 402.1335_1.15 1.15 402.1335 M-H 212.0024_1.15 1.15 212.0024 M-H 195.8108_1.15 1.15 195.8108 M-H 199.8049_1.15 1.15 199.8049 M-H 255.8219_1.16 1.16 255.8219 M-H 227.9971_1.18 1.18 227.9971 M-H 161.0455_1.18 1.18 161.0455 M-H 205.8396_1.18 1.18 205.8396 M-H 207.8365_1.18 1.18 207.8365 M-H 257.8187_1.18 1.18 257.8187 M-H 131.035_1.19 1.19 131.035 M-H 89.0244_1.19 1.19 89.0244 M-H 343.0667_1.2 1.2 343.0667 M-H 287.0227_1.2 1.2 287.0227 M-H 181.9917_1.21 1.21 181.9917 M-H 487.9475_1.22 1.22 487.9475 M-H 188.9865_1.23 1.23 188.9865 M-H 295.9568_1.23 1.23 295.9568 M-H 1109.987_1.24 1.24 1109.987 M-H 109.0293_1.24 1.24 109.0293 M-H 317.0328_1.24 1.24 317.0328 M-H 485.9507_1.24 1.24 485.9507 M-H 188.9865_1.24 1.24 188.9865 M-H 115.04_1.25 1.25 115.04 M-H 324.072_1.27 1.27 324.072 M-H 370.0778_1.27 1.27 370.0778 M-H 370.1659_1.27 1.27 370.1659 M-H 330.0283_1.28 1.28 330.0283 M-H 385.0451_1.28 1.28 385.0451 M-H 211.0611_1.31 1.31 211.0611 M-H 276.0004_1.31 1.31 276.0004 M-H 356.098_1.32 1.32 356.098 M-H 306.0322_1.32 1.32 306.0322 M-H 337.0563_1.33 1.33 337.0563 M-H 231.994_1.34 1.34 231.994 M-H 215.0327_1.34 1.34 215.0327 M-H 333.9859_1.34 1.34 333.9859 M-H 217.0299_1.34 1.34 217.0299 M-H 224.0564_1.35 1.35 224.0564 M-H 338.0837_1.35 1.35 338.0837 M-H 354.0433_1.35 1.35 354.0433 M-H 162.0206_1.35 1.35 162.0206 M-H 276.1008_1.35 1.35 276.1008 M-H 419.1086_1.35 1.35 419.1086 M-H 208.114_1.36 1.36 208.114 M-H 218.9969_1.36 1.36 218.9969 M-H 219.0511_1.36 1.36 219.0511 M-H 417.2341_1.36 1.36 417.2341 M-H 379.0332_1.36 1.36 379.0332 M-H 275.0223_1.36 1.36 275.0223 M-H 276.101_1.36 1.36 276.101 M-H 266.0722_1.36 1.36 266.0722 M-H 354.0432_1.36 1.36 354.0432 M-H 194.046_1.37 1.37 194.046 M-H 389.0984_1.37 1.37 389.0984 M-H 403.1658_1.37 1.37 403.1658 M-H 150.0559_1.37 1.37 150.0559 M-H 315.0715_1.37 1.37 315.0715 M-H 292.0214_1.37 1.37 292.0214 M-H 208.1141_1.37 1.37 208.1141 M-H 417.2343_1.37 1.37 417.2343 M-H 439.216_1.37 1.37 439.216 M-H 305.0329_1.38 1.38 305.0329 M-H 309.118_1.38 1.38 309.118 M-H 273.0066_1.38 1.38 273.0066 M-H 412.2029_1.39 1.39 412.2029 M-H 203.0826_1.4 1.4 203.0826 M-H 299.1242_1.4 1.4 299.1242 M-H 295.1391_1.4 1.4 295.1391 M-H 203.0828_1.4 1.4 203.0828 M-H 131.035_1.41 1.41 131.035 M-H 230.013_1.41 1.41 230.013 M-H 87.0452_1.42 1.42 87.0452 M-H 149.0243_1.42 1.42 149.0243 M-H 357.0844_1.42 1.42 357.0844 M-H 369.05_1.42 1.42 369.05 M-H 271.0697_1.42 1.42 271.0697 M-H 145.0506_1.44 1.44 145.0506 M-H 179.0501_1.44 1.44 179.0501 M-H 368.0438_1.44 1.44 368.0438 M-H 179.0515_1.44 1.44 179.0515 M-H 172.0977_1.44 1.44 172.0977 M-H 145.0508_1.44 1.44 145.0508 M-H 143.0712_1.46 1.46 143.0712 M-H 187.0611_1.47 1.47 187.0611 M-H 123.0451_1.47 1.47 123.0451 M-H 172.9916_1.48 1.48 172.9916 M-H 1093.9924_1.48 1.48 1093.9924 M-H 93.0345_1.48 1.48 93.0345 M-H 227.1034_1.48 1.48 227.1034 M-H 368.9713_1.49 1.49 368.9713 M-H 172.9916_1.49 1.49 172.9916 M-H 1093.9919_1.49 1.49 1093.9919 M-H 179.0567_1.5 1.5 179.0567 M-H 261.0072_1.51 1.51 261.0072 M-H 230.9972_1.52 1.52 230.9972 M-H 131.0713_1.52 1.52 131.0713 M-H 300.0179_1.52 1.52 300.0179 M-H 261.1371_1.52 1.52 261.1371 M-H 242.9965_1.53 1.53 242.9965 M-H N-Acetyl-L-tyrosine 1.5 222.0772 M-H 203.002_1.54 1.54 203.002 M-H 277.0037_1.54 1.54 277.0037 M-H 485.0686_1.55 1.55 485.0686 M-H 234.0803_1.55 1.55 234.0803 M-H 271.166_1.55 1.55 271.166 M-H 117.0558_1.56 1.56 117.0558 M-H 303.0175_1.56 1.56 303.0175 M-H 209.0677_1.58 1.58 209.0677 M-H 160.842_1.58 1.58 160.842 M-H 162.839_1.58 1.58 162.839 M-H 164.8361_1.58 1.58 164.8361 M-H 247.0276_1.59 1.59 247.0276 M-H 181.0517_1.59 1.59 181.0517 M-H 596.1361_1.6 1.6 596.1361 M-H 357.9316_1.61 1.61 357.9316 M-H 279.9892_1.61 1.61 279.9892 M-H 212.0025_1.62 1.62 212.0025 M-H 156.0666_1.62 1.62 156.0666 M-H 425.0106_1.62 1.62 425.0106 M-H 446.993_1.63 1.63 446.993 M-H 1133.0027_1.63 1.63 1133.0027 M-H 212.0024_1.63 1.63 212.0024 M-H 524.0798_1.64 1.64 524.0798 M-H 1133.0022_1.64 1.64 1133.0022 M-H 197.9867_1.65 1.65 197.9867 M-H 157.0507_1.66 1.66 157.0507 M-H 311.0701_1.66 1.66 311.0701 M-H 121.0295_1.66 1.66 121.0295 M-H 182.0282_1.66 1.66 182.0282 M-H 574.1317_1.66 1.66 574.1317 M-H 215.0024_1.66 1.66 215.0024 M-H 181.051_1.67 1.67 181.051 M-H 275.0223_1.67 1.67 275.0223 M-H 211.0611_1.68 1.68 211.0611 M-H 99.0452_1.68 1.68 99.0452 M-H 287.0228_1.69 1.69 287.0228 M-H 240.9814_1.71 1.71 240.9814 M-H 126.8808_1.71 1.71 126.8808 M-H 138.0562_1.72 1.72 138.0562 M-H 242.049_1.72 1.72 242.049 M-H 402.103_1.74 1.74 402.103 M-H 260.0227_1.74 1.74 260.0227 M-H 190.0509_1.77 1.77 190.0509 M-H 170.8707_1.77 1.77 170.8707 M-H 285.0609_1.78 1.78 285.0609 M-H 313.0574_1.8 1.8 313.0574 M-H 328.1495_1.81 1.81 328.1495 M-H 353.1441_1.82 1.82 353.1441 M-H 273.0074_1.83 1.83 273.0074 M-H 339.1649_1.83 1.83 339.1649 M-H 328.1213_1.83 1.83 328.1213 M-H 127.0398_1.85 1.85 127.0398 M-H 117.0556_1.85 1.85 117.0556 M-H 308.077_1.87 1.87 308.077 M-H 117.0557_1.87 1.87 117.0557 M-H 258.9922_1.89 1.89 258.9922 M-H 182.046_1.92 1.92 182.046 M-H 269.0662_1.92 1.92 269.0662 M-H 233.0118_1.92 1.92 233.0118 M-H 300.0716_1.92 1.92 300.0716 M-H 158.0822_1.93 1.93 158.0822 M-H 188.0353_1.93 1.93 188.0353 M-H 158.0822_1.95 1.95 158.0822 M-H 327.0717_1.96 1.96 327.0717 M-H 371.0973_1.97 1.97 371.0973 M-H 245.0124_1.98 1.98 245.0124 M-H 239.9969_1.98 1.98 239.9969 M-H 261.137_2.01 2.01 261.137 M-H 271.1659_2.02 2.02 271.1659 M-H 263.1344_2.02 2.02 263.1344 M-H 367.1024_2.05 2.05 367.1024 M-H 212.0023_2.06 2.06 212.0023 M-H 213.0054_2.06 2.06 213.0054 M-H 275.0221_2.06 2.06 275.0221 M-H 357.0822_2.1 2.1 357.0822 M-H 203.0018_2.11 2.11 203.0018 M-H 259.0272_2.12 2.12 259.0272 M-H 271.0275_2.12 2.12 271.0275 M-H 153.0192_2.13 2.13 153.0192 M-H 203.001_2.15 2.15 203.001 M-H 129.0556_2.17 2.17 129.0556 M-H 457.0327_2.2 2.2 457.0327 M-H 129.0557_2.2 2.2 129.0557 M-H 508.2875_2.2 2.2 508.2875 M-H 254.9281_2.2 2.2 254.9281 M-H 248.0958_2.21 2.21 248.0958 M-H 314.1059_2.21 2.21 314.1059 M-H 379.0902_2.22 2.22 379.0902 M-H 590.0857_2.22 2.22 590.0857 M-H 226.0178_2.22 2.22 226.0178 M-H 206.0458_2.23 2.23 206.0458 M-H 476.1123_2.23 2.23 476.1123 M-H 675.1384_2.24 2.24 675.1384 M-H 391.0329_2.24 2.24 391.0329 M-H 276.0272_2.24 2.24 276.0272 M-H 178.0512_2.25 2.25 178.0512 M-H 357.1086_2.25 2.25 357.1086 M-H 134.0612_2.25 2.25 134.0612 M-H 230.0128_2.25 2.25 230.0128 M-H 464.143_2.25 2.25 464.143 M-H 1099.0514_2.25 2.25 1099.0514 M-H 470.1557_2.25 2.25 470.1557 M-H 178.051_2.26 2.26 178.051 M-H 442.161_2.27 2.27 442.161 M-H 242.0127_2.28 2.28 242.0127 M-H 244.0283_2.28 2.28 244.0283 M-H 263.1037_2.29 2.29 263.1037 M-H 527.2143_2.29 2.29 527.2143 M-H 145.0618_2.29 2.29 145.0618 M-H 361.0773_2.29 2.29 361.0773 M-H 273.0081_2.29 2.29 273.0081 M-H 760.1911_2.29 2.29 760.1911 M-H 1079.3925_2.29 2.29 1079.3925 M-H 246.0385_2.2955 2.2955 246.0385 M-H 246.0385_2.297 2.297 246.0385 M-H 549.1959_2.3 2.3 549.1959 M-H 845.2438_2.3 2.3 845.2438 M-H 1108.3454_2.3 2.3 1108.3454 M-H 829.2713_2.3 2.3 829.2713 M-H 263.1035_2.3 2.3 263.1035 M-H 151.04_2.33 2.33 151.04 M-H 137.0242_2.34 2.34 137.0242 M-H 263.0251_2.37 2.37 263.0251 M-H 175.0613_2.4 2.4 175.0613 M-H 277.9751_2.4 2.4 277.9751 M-H 222.0407_2.45 2.45 222.0407 M-H 203.002_2.49 2.49 203.002 M-H 371.0972_2.49 2.49 371.0972 M-H 397.1702_2.49 2.49 397.1702 M-H 1124.0021_2.5 2.5 1124.0021 M-H 203.0017_2.5 2.5 203.0017 M-H 666.3572_2.5 2.5 666.3572 M-H 383.1913_2.51 2.51 383.1913 M-H 129.0556_2.56 2.56 129.0556 M-H 165.0193_2.56 2.56 165.0193 M-H 241.1192_2.57 2.57 241.1192 M-H 129.0557_2.57 2.57 129.0557 M-H 274.9858_2.57 2.57 274.9858 M-H 254.928_2.57 2.57 254.928 M-H 121.0295_2.59 2.59 121.0295 M-H 261.0878_2.67 2.67 261.0878 M-H 415.033_2.7 2.7 415.033 M-H 206.9728_2.7 2.7 206.9728 M-H 256.9548_2.71 2.71 256.9548 M-H 245.0122_2.78 2.78 245.0122 M-H 153.0191_2.78 2.78 153.0191 M-H 194.0459_2.83 2.83 194.0459 M-H Vanillic acid 2.8 167.035 M-H 242.0126_2.84 2.84 242.0126 M-H 203.0019_2.85 2.85 203.0019 M-H 187.007_2.86 2.86 187.007 M-H 159.0662_2.88 2.88 159.0662 M-H 302.1141_2.89 2.89 302.1141 M-H 180.0666_2.89 2.89 180.0666 M-H Biotin 2.9 243.0809 M-H 192.0665_2.9 2.9 192.0665 M-H 188.0928_2.92 2.92 188.0928 M-H Caffeic acid 2.9 179.035 M-H 107.0502_2.95 2.95 107.0502 M-H 328.0484_3.01 3.01 328.0484 M-H 257.0117_3.03 3.03 257.0117 M-H 369.0817_3.04 3.04 369.0817 M-H 250.0718_3.1 3.1 250.0718 M-H 371.0971_3.11 3.11 371.0971 M-H 241.1193_3.12 3.12 241.1193 M-H 230.9968_3.12 3.12 230.9968 M-H 208.0614_3.14 3.14 208.0614 M-H 202.0542_3.15 3.15 202.0542 M-H 230.9968_3.16 3.16 230.9968 M-H 1108.008_3.23 3.23 1108.008 M-H 187.0072_3.24 3.24 187.0072 M-H 107.0502_3.24 3.24 107.0502 M-H 420.0782_3.24 3.24 420.0782 M-H 616.954_3.24 3.24 616.954 M-H 526.2582_3.24 3.24 526.2582 M-H 397.0028_3.25 3.25 397.0028 M-H 332.9365_3.25 3.25 332.9365 M-H 474.945_3.25 3.25 474.945 M-H 375.0204_3.25 3.25 375.0204 M-H 569.049_3.25 3.25 569.049 M-H 1109.0107_3.25 3.25 1109.0107 M-H 254.9942_3.26 3.26 254.9942 M-H Leucyl-leucine 3.3 243.1714 M-H 397.0023_3.28 3.28 397.0023 M-H 187.0071_3.29 3.29 187.0071 M-H 1108.0078_3.29 3.29 1108.0078 M-H 217.0174_3.3 3.3 217.0174 M-H 526.2582_3.32 3.32 526.2582 M-H 384.2494_3.32 3.32 384.2494 M-H 585.018_3.43 3.43 585.018 M-H 583.0205_3.43 3.43 583.0205 M-H 137.0242_3.49 3.49 137.0242 M-H 254.9953_3.49 3.49 254.9953 M-H 441.1962_3.51 3.51 441.1962 M-H Riboflavin 3.5 375.131 M-H 151.0399_3.53 3.53 151.0399 M-H 427.2176_3.54 3.54 427.2176 M-H 313.0552_3.54 3.54 313.0552 M-H 295.1292_3.58 3.58 295.1292 M-H 175.0249_3.59 3.59 175.0249 M-H 273.0076_3.61 3.61 273.0076 M-H 264.0873_3.61 3.61 264.0873 M-H 171.0662_3.63 3.63 171.0662 M-H 245.0485_3.64 3.64 245.0485 M-H 193.0354_3.66 3.66 193.0354 M-H 336.0717_3.7 3.7 336.0717 M-H 192.0665_3.78 3.78 192.0665 M-H 190.0509_3.82 3.82 190.0509 M-H 259.1292_3.86 3.86 259.1292 M-H 350.0874_3.88 3.88 350.0874 M-H 194.046_4.06 4.06 194.046 M-H 389.098_4.06 4.06 389.098 M-H 443.0168_4.06 4.06 443.0168 M-H 150.0559_4.07 4.07 150.0559 M-H 411.0804_4.07 4.07 411.0804 M-H 1115.0456_4.07 4.07 1115.0456 M-H 247.9648_4.07 4.07 247.9648 M-H 413.0564_4.07 4.07 413.0564 M-H 216.0275_4.08 4.08 216.0275 M-H 292.9627_4.08 4.08 292.9627 M-H 338.0872_4.2 4.2 338.0872 M-H 172.0977_4.29 4.29 172.0977 M-H 367.1025_4.32 4.32 367.1025 M-H 162.0229_4.37 4.37 162.0229 M-H 471.2436_4.38 4.38 471.2436 M-H 485.2226_4.38 4.38 485.2226 M-H 416.1199_4.41 4.41 416.1199 M-H 131.0712_4.41 4.41 131.0712 M-H Dimethylallylaminopurine 4.4 202.1098 M-H 215.002_4.42 4.42 215.002 M-H 182.0822_4.42 4.42 182.0822 M-H 215.0024_4.43 4.43 215.0024 M-H 370.0955_4.45 4.45 370.0955 M-H 283.0819_4.47 4.47 283.0819 M-H 351.0688_4.47 4.47 351.0688 M-H 567.1707_4.47 4.47 567.1707 M-H 383.0067_4.47 4.47 383.0067 M-H 259.027_4.52 4.52 259.027 M-H 215.0922_4.52 4.52 215.0922 M-H 202.0541_4.52 4.52 202.0541 M-H 127.0763_4.53 4.53 127.0763 M-H 183.0665_4.53 4.53 183.0665 M-H 171.0662_4.54 4.54 171.0662 M-H 515.2696_4.54 4.54 515.2696 M-H 295.1295_4.54 4.54 295.1295 M-H 170.0821_4.56 4.56 170.0821 M-H 243.1347_4.57 4.57 243.1347 M-H 367.1024_4.57 4.57 367.1024 M-H 259.1182_4.57 4.57 259.1182 M-H Acetyl-L-Leucine 4.6 172.0979 M-H 195.0659_4.6 4.6 195.0659 M-H 245.0483_4.6 4.6 245.0483 M-H 247.082_4.61 4.61 247.082 M-H 413.1443_4.62 4.62 413.1443 M-H 452.1155_4.62 4.62 452.1155 M-H 559.2958_4.64 4.64 559.2958 M-H 172.0977_4.65 4.65 172.0977 M-H 372.1115_4.66 4.66 372.1115 M-H 157.0504_4.66 4.66 157.0504 M-H 368.0801_4.67 4.67 368.0801 M-H 403.066_4.67 4.67 403.066 M-H 257.1137_4.67 4.67 257.1137 M-H 213.0766_4.68 4.68 213.0766 M-H 226.0177_4.68 4.68 226.0177 M-H 226.0178_4.68 4.68 226.0178 M-H 215.0923_4.69 4.69 215.0923 M-H 281.1137_4.73 4.73 281.1137 M-H 766.8352_4.73 4.73 766.8352 M-H 383.0977_4.74 4.74 383.0977 M-H 162.0228_4.74 4.74 162.0228 M-H 261.0366_4.74 4.74 261.0366 M-H 325.0374_4.75 4.75 325.0374 M-H 232.9958_4.75 4.75 232.9958 M-H 201.1132_4.76 4.76 201.1132 M-H 283.0273_4.76 4.76 283.0273 M-H 379.1024_4.76 4.76 379.1024 M-H 361.1128_4.76 4.76 361.1128 M-H 396.1287_4.76 4.76 396.1287 M-H 263.113_4.77 4.77 263.113 M-H 297.0969_4.79 4.79 297.0969 M-H 207.0101_4.79 4.79 207.0101 M-H 165.0558_4.8 4.8 165.0558 M-H 172.0978_4.81 4.81 172.0978 M-H 184.098_4.82 4.82 184.098 M-H 514.3233_4.82 4.82 514.3233 M-H 229.0172_4.83 4.83 229.0172 M-H 299.0766_4.83 4.83 299.0766 M-H 497.333_4.83 4.83 497.333 M-H 514.3237_4.83 4.83 514.3237 M-H 497.3333_4.83 4.83 497.3333 M-H 487.3045_4.83 4.83 487.3045 M-H 489.3027_4.83 4.83 489.3027 M-H 339.0536_4.84 4.84 339.0536 M-H 211.0608_4.84 4.84 211.0608 M-H 331.1208_4.84 4.84 331.1208 M-H 368.08_4.84 4.84 368.08 M-H 192.0665_4.86 4.86 192.0665 M-H 359.1336_4.86 4.86 359.1336 M-H 273.0422_4.86 4.86 273.0422 M-H 372.1112_4.86 4.86 372.1112 M-H 264.0873_4.89 4.89 264.0873 M-H 199.007_4.9 4.9 199.007 M-H 363.0744_4.9 4.9 363.0744 M-H 199.0069_4.91 4.91 199.0069 M-H 273.0132_4.92 4.92 273.0132 M-H 204.0663_4.93 4.93 204.0663 M-H 345.1545_4.94 4.94 345.1545 M-H 204.0664_4.95 4.95 204.0664 M-H Bradykinin 5 902.453 M-H 164.0352_4.96 4.96 164.0352 M-H 217.0174_4.97 4.97 217.0174 M-H 329.0691_4.97 4.97 329.0691 M-H 151.0399_4.98 4.98 151.0399 M-H 93.0345_4.98 4.98 93.0345 M-H 215.0923_4.99 4.99 215.0923 M-H 369.0818_4.99 4.99 369.0818 M-H 255.1348_5.01 5.01 255.1348 M-H 265.1188_5.02 5.02 265.1188 M-H 307.1387_5.02 5.02 307.1387 M-H 217.1081_5.03 5.03 217.1081 M-H 390.0576_5.04 5.04 390.0576 M-H 439.1601_5.04 5.04 439.1601 M-H 173.0819_5.05 5.05 173.0819 M-H 373.1132_5.05 5.05 373.1132 M-H 245.0924_5.06 5.06 245.0924 M-H 173.0819_5.06 5.06 173.0819 M-H 359.1336_5.07 5.07 359.1336 M-H 422.0721_5.07 5.07 422.0721 M-H 368.08_5.08 5.08 368.08 M-H 311.0759_5.09 5.09 311.0759 M-H 243.1232_5.09 5.09 243.1232 M-H 514.3231_5.09 5.09 514.3231 M-H 487.3044_5.09 5.09 487.3044 M-H 497.3332_5.09 5.09 497.3332 M-H 514.3239_5.09 5.09 514.3239 M-H 497.3336_5.09 5.09 497.3336 M-H 487.3047_5.09 5.09 487.3047 M-H 489.3028_5.09 5.09 489.3028 M-H 448.0237_5.1 5.1 448.0237 M-H 267.1343_5.1 5.1 267.1343 M-H 163.04_5.1 5.1 163.04 M-H 591.3422_5.1 5.1 591.3422 M-H 202.1085_5.11 5.11 202.1085 M-H 208.0613_5.11 5.11 208.0613 M-H 412.1323_5.11 5.11 412.1323 M-H 163.0401_5.11 5.11 163.0401 M-H 201.0218_5.12 5.12 201.0218 M-H 245.0484_5.12 5.12 245.0484 M-H 137.0238_5.12 5.12 137.0238 M-H 342.1008_5.12 5.12 342.1008 M-H HWESASXX 5.1 940.4534 M-H 335.1338_5.14 5.14 335.1338 M-H 245.0111_5.14 5.14 245.0111 M-H 294.0547_5.14 5.14 294.0547 M-H 343.1388_5.16 5.16 343.1388 M-H 459.1498_5.16 5.16 459.1498 M-H 610.4173_5.16 5.16 610.4173 M-H 427.1957_5.17 5.17 427.1957 M-H 627.4076_5.17 5.17 627.4076 M-H 243.0774_5.18 5.18 243.0774 M-H 295.0812_5.18 5.18 295.0812 M-H 429.1319_5.18 5.18 429.1319 M-H 211.0611_5.19 5.19 211.0611 M-H 231.0328_5.21 5.21 231.0328 M-H 236.0927_5.21 5.21 236.0927 M-H 375.1288_5.22 5.22 375.1288 M-H 273.0424_5.22 5.22 273.0424 M-H 185.0819_5.23 5.23 185.0819 M-H 405.1196_5.23 5.23 405.1196 M-H 246.075_5.24 5.24 246.075 M-H 237.1229_5.25 5.25 237.1229 M-H 246.075_5.25 5.25 246.075 M-H 325.0921_5.26 5.26 325.0921 M-H 361.1493_5.26 5.26 361.1493 M-H 267.1343_5.28 5.28 267.1343 M-H m-Coumaric acid 5.3 163.0401 M-H 495.2226_5.29 5.29 495.2226 M-H 339.0683_5.29 5.29 339.0683 M-H 295.0274_5.3 5.3 295.0274 M-H 435.1282_5.3 5.3 435.1282 M-H 396.1115_5.3 5.3 396.1115 M-H 171.0662_5.32 5.32 171.0662 M-H 204.0666_5.33 5.33 204.0666 M-H 338.0693_5.33 5.33 338.0693 M-H 527.2483_5.33 5.33 527.2483 M-H 201.0224_5.35 5.35 201.0224 M-H 141.0918_5.35 5.35 141.0918 M-H 276.0905_5.35 5.35 276.0905 M-H 255.1331_5.35 5.35 255.1331 M-H 243.1233_5.36 5.36 243.1233 M-H 239.0034_5.36 5.36 239.0034 M-H 201.0223_5.36 5.36 201.0223 M-H 197.0819_5.37 5.37 197.0819 M-H 525.2329_5.37 5.37 525.2329 M-H 229.0162_5.39 5.39 229.0162 M-H 457.1341_5.39 5.39 457.1341 M-H 305.0251_5.4 5.4 305.0251 M-H 223.0092_5.4 5.4 223.0092 M-H 273.0417_5.4 5.4 273.0417 M-H 305.0242_5.4 5.4 305.0242 M-H 217.0162_5.41 5.41 217.0162 M-H 259.0261_5.41 5.41 259.0261 M-H 1053.5357_5.42 5.42 1053.5357 M-H 389.0903_5.43 5.43 389.0903 M-H 224.062_5.43 5.43 224.062 M-H 448.0241_5.44 5.44 448.0241 M-H 381.1372_5.44 5.44 381.1372 M-H 224.0621_5.44 5.44 224.0621 M-H 684.5629_5.44 5.44 684.5629 M-H 449.1299_5.45 5.45 449.1299 M-H 379.1601_5.46 5.46 379.1601 M-H 397.1496_5.47 5.47 397.1496 M-H 248.0957_5.47 5.47 248.0957 M-H 473.1444_5.47 5.47 473.1444 M-H 363.165_5.47 5.47 363.165 M-H 217.1079_5.47 5.47 217.1079 M-H 465.1368_5.47 5.47 465.1368 M-H 451.0684_5.47 5.47 451.0684 M-H 193.0358_5.47 5.47 193.0358 M-H 795.3073_5.47 5.47 795.3073 M-H 255.087_5.47 5.47 255.087 M-H 313.092_5.48 5.48 313.092 M-H 185.0817_5.49 5.49 185.0817 M-H 138.0196_5.49 5.49 138.0196 M-H 243.0328_5.5 5.5 243.0328 M-H 425.1447_5.5 5.5 425.1447 M-H 383.1565_5.5 5.5 383.1565 M-H 329.0692_5.5 5.5 329.0692 M-H 485.1655_5.51 5.51 485.1655 M-H 361.1494_5.51 5.51 361.1494 M-H 381.0238_5.51 5.51 381.0238 M-H 279.1342_5.52 5.52 279.1342 M-H 385.1658_5.53 5.53 385.1658 M-H 387.1982_5.53 5.53 387.1982 M-H 445.1943_5.53 5.53 445.1943 M-H 219.1234_5.53 5.53 219.1234 M-H 572.2521_5.54 5.54 572.2521 M-H 385.168_5.54 5.54 385.168 M-H 159.1025_5.56 5.56 159.1025 M-H 477.102_5.57 5.57 477.102 M-H 259.0254_5.57 5.57 259.0254 M-H 740.4915_5.57 5.57 740.4915 M-H 173.0817_5.58 5.58 173.0817 M-H 3,4-Dimethoxycinnamic acid 5.6 207.0663 M-H 459.1499_5.59 5.59 459.1499 M-H 269.0093_5.59 5.59 269.0093 M-H 359.1328_5.59 5.59 359.1328 M-H 409.1132_5.59 5.59 409.1132 M-H 269.1493_5.59 5.59 269.1493 M-H 400.1433_5.59 5.59 400.1433 M-H 411.1289_5.6 5.6 411.1289 M-H 257.1501_5.6 5.6 257.1501 M-H 327.1074_5.6 5.6 327.1074 M-H 175.0243_5.6 5.6 175.0243 M-H 345.1544_5.6 5.6 345.1544 M-H 381.1358_5.6 5.6 381.1358 M-H 433.1106_5.61 5.61 433.1106 M-H 354.1005_5.62 5.62 354.1005 M-H 335.1339_5.62 5.62 335.1339 M-H 242.9096_5.62 5.62 242.9096 M-H 238.0776_5.63 5.63 238.0776 M-H 243.9743_5.63 5.63 243.9743 M-H 238.0777_5.63 5.63 238.0777 M-H 240.9128_5.63 5.63 240.9128 M-H 242.9102_5.63 5.63 242.9102 M-H 307.0255_5.64 5.64 307.0255 M-H 250.112_5.64 5.64 250.112 M-H 224.0621_5.65 5.65 224.0621 M-H 503.1914_5.65 5.65 503.1914 M-H 241.1077_5.65 5.65 241.1077 M-H 240.9115_5.65 5.65 240.9115 M-H 495.2223_5.66 5.66 495.2223 M-H 224.062_5.66 5.66 224.062 M-H 462.176_5.68 5.68 462.176 M-H 243.077_5.68 5.68 243.077 M-H 245.0488_5.69 5.69 245.0488 M-H 429.193_5.69 5.69 429.193 M-H 449.2019_5.69 5.69 449.2019 M-H 338.9875_5.69 5.69 338.9875 M-H 314.1422_5.69 5.69 314.1422 M-H 445.1911_5.7 5.7 445.1911 M-H 245.0487_5.7 5.7 245.0487 M-H 366.1004_5.72 5.72 366.1004 M-H 259.0011_5.72 5.72 259.0011 M-H 336.9912_5.72 5.72 336.9912 M-H 347.1698_5.72 5.72 347.1698 M-H 239.085_5.72 5.72 239.085 M-H 341.1228_5.73 5.73 341.1228 M-H 319.0804_5.73 5.73 319.0804 M-H 356.1166_5.74 5.74 356.1166 M-H 431.1922_5.74 5.74 431.1922 M-H 452.1914_5.75 5.75 452.1914 M-H 433.2064_5.75 5.75 433.2064 M-H 343.0848_5.76 5.76 343.0848 M-H 197.0817_5.76 5.76 197.0817 M-H 153.0919_5.76 5.76 153.0919 M-H 383.1528_5.77 5.77 383.1528 M-H 383.1525_5.77 5.77 383.1525 M-H 339.1076_5.78 5.78 339.1076 M-H Salicylic acid 5.8 137.0244 M-H 600.2841_5.79 5.79 600.2841 M-H 443.1755_5.79 5.79 443.1755 M-H 213.0151_5.79 5.79 213.0151 M-H 352.0852_5.8 5.8 352.0852 M-H 421.0584_5.8 5.8 421.0584 M-H 425.1805_5.8 5.8 425.1805 M-H 137.0242_5.82 5.82 137.0242 M-H 93.0345_5.82 5.82 93.0345 M-H 222.0018_5.82 5.82 222.0018 M-H 439.1603_5.83 5.83 439.1603 M-H 405.176_5.83 5.83 405.176 M-H 243.1234_5.83 5.83 243.1234 M-H 462.1759_5.83 5.83 462.1759 M-H 1058.0242_5.83 5.83 1058.0242 M-H 297.035_5.83 5.83 297.035 M-H 137.0243_5.83 5.83 137.0243 M-H 93.0344_5.83 5.83 93.0344 M-H 222.0018_5.83 5.83 222.0018 M-H 1058.0244_5.83 5.83 1058.0244 M-H 187.0976_5.84 5.84 187.0976 M-H 180.9892_5.84 5.84 180.9892 M-H 187.0975_5.84 5.84 187.0975 M-H 554.2608_5.84 5.84 554.2608 M-H 452.1914_5.85 5.85 452.1914 M-H 180.9892_5.85 5.85 180.9892 M-H 401.1451_5.85 5.85 401.1451 M-H 192.9904_5.85 5.85 192.9904 M-H 387.1656_5.86 5.86 387.1656 M-H 299.0128_5.86 5.86 299.0128 M-H 225.0762_5.86 5.86 225.0762 M-H 192.9903_5.8693 5.8693 192.9903 M-H 403.1032_5.87 5.87 403.1032 M-H 385.1649_5.87 5.87 385.1649 M-H 192.9903_5.8702 5.8702 192.9903 M-H 245.139_5.88 5.88 245.139 M-H 362.1796_5.88 5.88 362.1796 M-H 347.0755_5.88 5.88 347.0755 M-H 539.2487_5.88 5.88 539.2487 M-H 180.9887_5.88 5.88 180.9887 M-H 269.1502_5.89 5.89 269.1502 M-H 397.1496_5.89 5.89 397.1496 M-H 509.238_5.89 5.89 509.238 M-H 165.0919_5.9 5.9 165.0919 M-H 332.1457_5.9 5.9 332.1457 M-H 337.1371_5.9 5.9 337.1371 M-H 541.264_5.91 5.91 541.264 M-H 231.0319_5.91 5.91 231.0319 M-H 315.107_5.91 5.91 315.107 M-H 182.989_5.91 5.91 182.989 M-H 541.2642_5.91 5.91 541.2642 M-H 357.1005_5.92 5.92 357.1005 M-H 445.2058_5.92 5.92 445.2058 M-H 247.1544_5.93 5.93 247.1544 M-H 345.1547_5.94 5.94 345.1547 M-H 691.3167_5.94 5.94 691.3167 M-H 182.9891_5.95 5.95 182.9891 M-H 323.0539_5.95 5.95 323.0539 M-H 413.1448_5.97 5.97 413.1448 M-H 413.1975_5.98 5.98 413.1975 M-H 240.9827_5.98 5.98 240.9827 M-H 462.1759_5.98 5.98 462.1759 M-H 350.0694_6.02 6.02 350.0694 M-H 276.9934_6.02 6.02 276.9934 M-H 437.0518_6.04 6.04 437.0518 M-H 539.249_6.05 6.05 539.249 M-H 495.2225_6.05 6.05 495.2225 M-H 276.993_6.05 6.05 276.993 M-H 453.1755_6.08 6.08 453.1755 M-H 431.2252_6.08 6.08 431.2252 M-H 211.0967_6.08 6.08 211.0967 M-H 203.1286_6.09 6.09 203.1286 M-H 387.1663_6.11 6.11 387.1663 M-H 411.1998_6.11 6.11 411.1998 M-H 283.118_6.11 6.11 283.118 M-H 387.1664_6.11 6.11 387.1664 M-H 479.2274_6.11 6.11 479.2274 M-H 525.2692_6.12 6.12 525.2692 M-H 199.0976_6.12 6.12 199.0976 M-H 227.0376_6.13 6.13 227.0376 M-H 407.2063_6.13 6.13 407.2063 M-H 347.1701_6.16 6.16 347.1701 M-H 224.9971_6.16 6.16 224.9971 M-H 273.1699_6.17 6.17 273.1699 M-H 323.0118_6.17 6.17 323.0118 M-H 198.1134_6.18 6.18 198.1134 M-H 245.139_6.18 6.18 245.139 M-H 385.1669_6.19 6.19 385.1669 M-H 218.082_6.19 6.19 218.082 M-H 500.2792_6.2 6.2 500.2792 M-H 481.2431_6.21 6.21 481.2431 M-H 431.192_6.21 6.21 431.192 M-H 361.1494_6.21 6.21 361.1494 M-H 317.1233_6.22 6.22 317.1233 M-H 269.1498_6.22 6.22 269.1498 M-H 378.1006_6.22 6.22 378.1006 M-H 442.1893_6.22 6.22 442.1893 M-H 479.2276_6.23 6.23 479.2276 M-H 177.1283_6.23 6.23 177.1283 M-H 509.274_6.23 6.23 509.274 M-H 239.093_6.23 6.23 239.093 M-H 221.1179_6.23 6.23 221.1179 M-H 179.1075_6.24 6.24 179.1075 M-H 223.0971_6.25 6.25 223.0971 M-H 323.0116_6.25 6.25 323.0116 M-H 228.992_6.26 6.26 228.992 M-H 175.0239_6.27 6.27 175.0239 M-H 267.1232_6.27 6.27 267.1232 M-H 247.001_6.27 6.27 247.001 M-H 405.118_6.28 6.28 405.118 M-H 369.1732_6.28 6.28 369.1732 M-H 228.9923_6.28 6.28 228.9923 M-H 369.1731_6.29 6.29 369.1731 M-H Indole-3-carboxylic acid 6.3 160.0404 M-H 193.0346_6.3 6.3 193.0346 M-H 473.1053_6.3 6.3 473.1053 M-H 207.0657_6.3 6.3 207.0657 M-H 413.198_6.31 6.31 413.198 M-H 505.0412_6.31 6.31 505.0412 M-H 541.2643_6.32 6.32 541.2643 M-H 413.1992_6.32 6.32 413.1992 M-H 308.9987_6.32 6.32 308.9987 M-H 389.1805_6.34 6.34 389.1805 M-H 308.9988_6.34 6.34 308.9988 M-H 453.2148_6.34 6.34 453.2148 M-H 539.249_6.35 6.35 539.249 M-H 425.1807_6.36 6.36 425.1807 M-H 229.0536_6.37 6.37 229.0536 M-H 433.2068_6.38 6.38 433.2068 M-H 527.2126_6.38 6.38 527.2126 M-H 229.0536_6.39 6.39 229.0536 M-H Sebacic acid 6.4 201.1132 M-H 339.1074_6.41 6.41 339.1074 M-H 201.113_6.42 6.42 201.113 M-H 511.2544_6.43 6.43 511.2544 M-H 464.3003_6.43 6.43 464.3003 M-H 191.1077_6.44 6.44 191.1077 M-H 235.0974_6.44 6.44 235.0974 M-H 471.2016_6.44 6.44 471.2016 M-H 281.1026_6.44 6.44 281.1026 M-H 73.0294_6.44 6.44 73.0294 M-H 378.1005_6.44 6.44 378.1005 M-H 341.1232_6.44 6.44 341.1232 M-H 335.0185_6.44 6.44 335.0185 M-H 380.0192_6.44 6.44 380.0192 M-H 257.079_6.45 6.45 257.079 M-H 493.1833_6.45 6.45 493.1833 M-H 191.1076_6.45 6.45 191.1076 M-H 235.0973_6.45 6.45 235.0973 M-H 526.2473_6.47 6.47 526.2473 M-H 189.0918_6.48 6.48 189.0918 M-H 213.113_6.49 6.49 213.113 M-H 507.2078_6.49 6.49 507.2078 M-H Dehydroepiandrostero?ne sulfate 6.5 367.1585 M-H 355.0147_6.53 6.53 355.0147 M-H 220.0976_6.55 6.55 220.0976 M-H 367.1576_6.56 6.56 367.1576 M-H 481.2428_6.56 6.56 481.2428 M-H 327.1439_6.56 6.56 327.1439 M-H 355.0149_6.56 6.56 355.0149 M-H 367.1578_6.56 6.56 367.1578 M-H 452.1349_6.56 6.56 452.1349 M-H 435.1447_6.56 6.56 435.1447 M-H 244.9077_6.58 6.58 244.9077 M-H 427.1952_6.62 6.62 427.1952 M-H 319.139_6.62 6.62 319.139 M-H 387.1258_6.62 6.62 387.1258 M-H 525.2688_6.62 6.62 525.2688 M-H 355.0151_6.62 6.62 355.0151 M-H 429.2093_6.63 6.63 429.2093 M-H 175.0237_6.64 6.64 175.0237 M-H 467.1908_6.65 6.65 467.1908 M-H 411.2014_6.67 6.67 411.2014 M-H 283.1655_6.67 6.67 283.1655 M-H 273.1699_6.68 6.68 273.1699 M-H 242.9888_6.7 6.7 242.9888 M-H 343.1389_6.72 6.72 343.1389 M-H 225.1129_6.72 6.72 225.1129 M-H 304.1214_6.72 6.72 304.1214 M-H 404.187_6.73 6.73 404.187 M-H 193.0901_6.73 6.73 193.0901 M-H 404.1868_6.73 6.73 404.1868 M-H 279.006_6.73 6.73 279.006 M-H 262.9959_6.74 6.74 262.9959 M-H 193.0901_6.74 6.74 193.0901 M-H 369.173_6.75 6.75 369.173 M-H 280.6217_6.75 6.75 280.6217 M-H 280.6218_6.75 6.75 280.6218 M-H 262.9961_6.75 6.75 262.9961 M-H 325.1282_6.76 6.76 325.1282 M-H 335.0112_6.76 6.76 335.0112 M-H 369.1732_6.76 6.76 369.1732 M-H 200.129_6.77 6.77 200.129 M-H 341.1232_6.77 6.77 341.1232 M-H 350.0233_6.81 6.81 350.0233 M-H 294.9935_6.82 6.82 294.9935 M-H 289.0079_6.82 6.82 289.0079 M-H 341.0043_6.83 6.83 341.0043 M-H 389.1805_6.88 6.88 389.1805 M-H 433.2066_6.89 6.89 433.2066 M-H 271.1544_6.9 6.9 271.1544 M-H 543.2072_6.91 6.91 543.2072 M-H 387.0201_6.91 6.91 387.0201 M-H 326.9964_6.91 6.91 326.9964 M-H 387.0194_6.91 6.91 387.0194 M-H 397.2046_6.95 6.95 397.2046 M-H 329.1596_6.97 6.97 329.1596 M-H 463.2327_6.97 6.97 463.2327 M-H 481.2068_6.98 6.98 481.2068 M-H 369.1732_7.03 7.03 369.1732 M-H 367.139_7.03 7.03 367.139 M-H 215.1286_7.03 7.03 215.1286 M-H 369.1733_7.04 7.04 369.1733 M-H 510.2524_7.06 7.06 510.2524 M-H 510.252_7.06 7.06 510.252 M-H 343.1388_7.08 7.08 343.1388 M-H 358.9994_7.08 7.08 358.9994 M-H 222.1132_7.09 7.09 222.1132 M-H 528.2626_7.0988 7.0988 528.2626 M-H 528.2626_7.1022 7.1022 528.2626 M-H 399.2196_7.13 7.13 399.2196 M-H 358.9992_7.13 7.13 358.9992 M-H 242.1757_7.14 7.14 242.1757 M-H 242.1759_7.14 7.14 242.1759 M-H 227.1285_7.16 7.16 227.1285 M-H 307.002_7.17 7.17 307.002 M-H 264.9923_7.176 7.176 264.9923 M-H 264.9923_7.1775 7.1775 264.9923 M-H 509.2738_7.18 7.18 509.2738 M-H 325.2005_7.18 7.18 325.2005 M-H 305.1597_7.19 7.19 305.1597 M-H 367.1389_7.2 7.2 367.1389 M-H 296.9988_7.22 7.22 296.9988 M-H 391.0032_7.23 7.23 391.0032 M-H 339.0059_7.24 7.24 339.0059 M-H 296.9988_7.24 7.24 296.9988 M-H 379.1387_7.25 7.25 379.1387 M-H 391.0029_7.26 7.26 391.0029 M-H 282.8718_7.28 7.28 282.8718 M-H 282.8717_7.29 7.29 282.8717 M-H 528.2623_7.3 7.3 528.2623 M-H 331.1751_7.3 7.3 331.1751 M-H 528.2625_7.3 7.3 528.2625 M-H 367.1574_7.31 7.31 367.1574 M-H 613.3581_7.36 7.36 613.3581 M-H 395.1888_7.39 7.39 395.1888 M-H 448.3055_7.4 7.4 448.3055 M-H 435.2223_7.41 7.41 435.2223 M-H 467.2573_7.41 7.41 467.2573 M-H 465.2485_7.48 7.48 465.2485 M-H 345.1543_7.48 7.48 345.1543 M-H 533.2354_7.48 7.48 533.2354 M-H 17?-Ethinyl estradiol 7.5 295.1704 M-H 511.2901_7.53 7.53 511.2901 M-H 443.1547_7.55 7.55 443.1547 M-H 253.1439_7.57 7.57 253.1439 M-H 464.3005_7.58 7.58 464.3005 M-H 253.1439_7.58 7.58 253.1439 M-H Dodecanedioic acid 7.6 229.1445 M-H 345.1544_7.63 7.63 345.1544 M-H 239.0937_7.64 7.64 239.0937 M-H 229.1441_7.64 7.64 229.1441 M-H 251.092_7.65 7.65 251.092 M-H 239.0925_7.65 7.65 239.0925 M-H 251.0921_7.65 7.65 251.0921 M-H 369.1552_7.67 7.67 369.1552 M-H 498.2881_7.67 7.67 498.2881 M-H 471.2408_7.68 7.68 471.2408 M-H 331.1755_7.7 7.7 331.1755 M-H 443.1547_7.7 7.7 443.1547 M-H 399.1624_7.7 7.7 399.1624 M-H 369.1732_7.71 7.71 369.1732 M-H 417.2117_7.72 7.72 417.2117 M-H 417.2117_7.74 7.74 417.2117 M-H 509.2744_7.74 7.74 509.2744 M-H 444.1566_7.75 7.75 444.1566 M-H 446.2899_7.77 7.77 446.2899 M-H 296.9977_7.78 7.78 296.9977 M-H 381.1547_7.81 7.81 381.1547 M-H 449.1416_7.81 7.81 449.1416 M-H 193.035_7.81 7.81 193.035 M-H 763.3172_7.81 7.81 763.3172 M-H 481.0766_7.81 7.81 481.0766 M-H 526.0758_7.81 7.81 526.0758 M-H 175.0242_7.82 7.82 175.0242 M-H 512.2676_7.86 7.86 512.2676 M-H 512.2677_7.87 7.87 512.2677 M-H 241.0866_7.89 7.89 241.0866 M-H 240.9907_7.9 7.9 240.9907 M-H 448.3054_7.92 7.92 448.3054 M-H 193.087_7.9265 7.9265 193.087 M-H Taurodeoxycholic acid 7.9 498.2895 M-H 193.087_7.9319 7.9319 193.087 M-H 256.9864_7.963 7.963 256.9864 M-H 256.9864_7.9649 7.9649 256.9864 M-H 247.0971_7.97 7.97 247.0971 M-H 495.2951_8.07 8.07 495.2951 M-H 357.0014_8.07 8.07 357.0014 M-H 357.0013_8.08 8.08 357.0013 M-H Murocholic acid 8.1 391.2854 M-H 329.2324_8.13 8.13 329.2324 M-H 568.1537_8.23 8.23 568.1537 M-H gamma-Muricholic acid 8.2 407.2803 M-H 426.9689_8.24 8.24 426.9689 M-H 314.9929_8.25 8.25 314.9929 M-H 314.9925_8.26 8.26 314.9925 M-H 493.244_8.28 8.28 493.244 M-H 274.9812_8.29 8.29 274.9812 M-H 274.9808_8.29 8.29 274.9808 M-H 285.1253_8.38 8.38 285.1253 M-H 368.9875_8.39 8.39 368.9875 M-H 368.9978_8.39 8.39 368.9978 M-H 368.9853_8.39 8.39 368.9853 M-H 368.9919_8.39 8.39 368.9919 M-H 285.1253_8.4 8.4 285.1253 M-H Ursodeoxycholic acid 8.4 391.2854 M-H 419.2273_8.45 8.45 419.2273 M-H 448.3059_8.51 8.51 448.3059 M-H Hyodeoxycholic acid 8.6 391.2854 M-H 580.3242_8.59 8.59 580.3242 M-H 227.1285_8.72 8.72 227.1285 M-H 580.3243_8.75 8.75 580.3243 M-H 329.2323_8.78 8.78 329.2323 M-H 448.3056_8.86 8.86 448.3056 M-H 498.9293_8.99 8.99 498.9293 M-H 267.1233_9.04 9.04 267.1233 M-H 267.1234_9.04 9.04 267.1234 M-H 194.082_9.15 9.15 194.082 M-H 194.0821_9.16 9.16 194.0821 M-H 263.1283_9.27 9.27 263.1283 M-H 335.2215_9.41 9.41 335.2215 M-H 507.2224_9.42 9.42 507.2224 M-H 311.2219_9.49 9.49 311.2219 M-H Chenodeoxycholic Acid 9.6 391.2854 M-H Glycolithocholic acid 9.6 432.3119 M-H 265.1476_9.68 9.68 265.1476 M-H 265.1475_9.68 9.68 265.1475 M-H 463.2983_9.68 9.68 463.2983 M-H 441.315_9.69 9.69 441.315 M-H 395.3093_9.69 9.69 395.3093 M-H 253.0824_9.69 9.69 253.0824 M-H 437.2895_9.7 9.7 437.2895 M-H 233.1544_9.85 9.85 233.1544 M-H 233.1542_9.85 9.85 233.1542 M-H Deoxycholic acid 9.9 391.2854 M-H 297.1522_9.88 9.88 297.1522 M-H 297.1523_9.88 9.88 297.1523 M-H 391.2841_9.94 9.94 391.2841 M-H 233.1543_9.95 9.95 233.1543 M-H 887.3662_9.99 9.99 887.3662 M-H 277.1836_10 10 277.1836 M-H 277.1442_10 10 277.1442 M-H 362.1211_10 10 362.1211 M-H 877.4112_10 10 877.4112 M-H 417.1671_10 10 417.1671 M-H 932.3632_10 10 932.3632 M-H 277.1836_10.01 10.01 277.1836 M-H 577.2776_10.01 10.01 577.2776 M-H 1164.5083_10.01 10.01 1164.5083 M-H 375.1206_10.01 10.01 375.1206 M-H 696.2239_10.01 10.01 696.2239 M-H 555.2953_10.02 10.02 555.2953 M-H 464.0768_10.04 10.04 464.0768 M-H 482.1229_10.04 10.04 482.1229 M-H 1198.1433_10.04 10.04 1198.1433 M-H 482.1228_10.05 10.05 482.1228 M-H 364.2247_10.06 10.06 364.2247 M-H 364.2246_10.06 10.06 364.2246 M-H 345.131_10.06 10.06 345.131 M-H 423.0731_10.06 10.06 423.0731 M-H 309.1734_10.08 10.08 309.1734 M-H 468.0709_10.08 10.08 468.0709 M-H 309.1736_10.09 10.09 309.1736 M-H 413.1184_10.11 10.11 413.1184 M-H 512.2979_10.18 10.18 512.2979 M-H 353.1994_10.22 10.22 353.1994 M-H 353.1994_10.23 10.23 353.1994 M-H 397.2254_10.27 10.27 397.2254 M-H 441.2516_10.27 10.27 441.2516 M-H 441.2515_10.27 10.27 441.2515 M-H 397.2254_10.28 10.28 397.2254 M-H 562.3137_10.37 10.37 562.3137 M-H 586.3139_10.39 10.39 586.3139 M-H 311.168_10.46 10.46 311.168 M-H 379.155_10.46 10.46 379.155 M-H 311.1679_10.47 10.47 311.1679 M-H 619.2873_10.47 10.47 619.2873 M-H 396.1451_10.48 10.48 396.1451 M-H 311.2209_10.52 10.52 311.2209 M-H 538.3139_10.53 10.53 538.3139 M-H Sphingosine-1-phosphate (d18:1) 10.5 378.2415 M-H 291.1992_10.57 10.57 291.1992 M-H 449.2532_10.58 10.58 449.2532 M-H 291.199_10.58 10.58 291.199 M-H 449.2531_10.58 10.58 449.2531 M-H 595.2878_10.63 10.63 595.2878 M-H 421.2253_10.65 10.65 421.2253 M-H 378.2404_10.65 10.65 378.2404 M-H 619.2877_10.66 10.66 619.2877 M-H 421.2254_10.66 10.66 421.2254 M-H 632.3172_10.74 10.74 632.3172 M-H 564.3301_10.75 10.75 564.3301 M-H 295.2272_10.78 10.78 295.2272 M-H 588.3298_10.8 10.8 588.3298 M-H Sphinganine-phosphate (d18:0) 10.8 380.2571 M-H 293.1787_10.8659 10.8659 293.1787 M-H 293.1787_10.8699 10.8699 293.1787 M-H 700.3043_10.92 10.92 700.3043 M-H 554.3009_10.93 10.93 554.3009 M-H 709.2529_10.93 10.93 709.2529 M-H 632.317_10.94 10.94 632.317 M-H 319.2274_10.94 10.94 319.2274 M-H 564.3301_10.95 10.95 564.3301 M-H 1083.6606_10.95 10.95 1083.6606 M-H 612.3294_10.95 10.95 612.3294 M-H 1107.6604_10.96 10.96 1107.6604 M-H 581.3195_10.96 10.96 581.3195 M-H 656.3167_10.97 10.97 656.3167 M-H 588.33_10.98 10.98 588.33 M-H 571.2877_10.98 10.98 571.2877 M-H 844.515_11.03 11.03 844.515 M-H 325.1834_11.04 11.04 325.1834 M-H 325.1835_11.05 11.05 325.1835 M-H 393.1705_11.05 11.05 393.1705 M-H N-palmitoyl taurine 11.1 362.2371 M-H 608.3171_11.09 11.09 608.3171 M-H 540.3299_11.1 11.1 540.3299 M-H 476.2768_11.1 11.1 476.2768 M-H 305.2147_11.13 11.13 305.2147 M-H 500.2769_11.14 11.14 500.2769 M-H 305.2146_11.17 11.17 305.2146 M-H 590.344_11.18 11.18 590.344 M-H LysoPC(16:0) 11.2 540.3307 M+HCOO 319.2277_11.22 11.22 319.2277 M-H 337.2044_11.26 11.26 337.2044 M-H 337.2045_11.26 11.26 337.2045 M-H 597.3033_11.27 11.27 597.3033 M-H 614.3453_11.29 11.29 614.3453 M-H 1035.6611_11.31 11.31 1035.6611 M-H 685.2525_11.31 11.31 685.2525 M-H 676.3042_11.31 11.31 676.3042 M-H 540.3298_11.32 11.32 540.3298 M-H 634.3434_11.32 11.32 634.3434 M-H 530.3017_11.32 11.32 530.3017 M-H 608.3175_11.34 11.34 608.3175 M-H 557.3196_11.34 11.34 557.3196 M-H 381.2305_11.4 11.4 381.2305 M-H 381.2305_11.41 11.41 381.2305 M-H 590.3451_11.41 11.41 590.3451 M-H 566.3453_11.41 11.41 566.3453 M-H 452.277_11.48 11.48 452.277 M-H 435.2094_11.52 11.52 435.2094 M-H 435.2093_11.52 11.52 435.2093 M-H 319.2282_11.56 11.56 319.2282 M-H 339.1992_11.6 11.6 339.1992 M-H 339.1993_11.6 11.6 339.1993 M-H 566.3453_11.61 11.61 566.3453 M-H 311.2_11.62 11.62 311.2 M-H 311.1999_11.63 11.63 311.1999 M-H 583.3324_11.63 11.63 583.3324 M-H 634.3337_11.66 11.66 634.3337 M-H LysoPA(16:0) 11.7 409.2361 M-H 319.2302_11.69 11.69 319.2302 M-H 526.3501_11.77 11.77 526.3501 M-H 594.3374_11.77 11.77 594.3374 M-H 478.2925_11.79 11.79 478.2925 M-H 592.3226_11.8 11.8 592.3226 M-H 524.3349_11.81 11.81 524.3349 M-H 554.345_11.81 11.81 554.345 M-H 616.3608_11.83 11.83 616.3608 M-H 599.319_11.87 11.87 599.319 M-H 2-O-methyl PAF C-16 11.9 540.3671 M+HCOO PAF C-16 11.9 568.362 M+HCOO 592.3586_11.95 11.95 592.3586 M-H 1-Oleoyl Lysophosphatidic Acid 12 435.2517 M-H 436.2823_12.01 12.01 436.2823 M-H 365.2686_12.01 12.01 365.2686 M-H 321.2139_12.03 12.03 321.2139 M-H 552.366_12.03 12.03 552.366 M-H 321.2145_12.03 12.03 321.2145 M-H 620.3534_12.03 12.03 620.3534 M-H 550.3502_12.07 12.07 550.3502 M-H 599.319_12.1 12.1 599.319 M-H 568.3609_12.18 12.18 568.3609 M-H LysoPC(18:0) 12.3 568.362 M+HCOO 462.2979_12.27 12.27 462.2979 M-H 369.2424_12.32 12.32 369.2424 M-H 568.361_12.39 12.39 568.361 M-H 585.3511_12.42 12.42 585.3511 M-H 636.3481_12.43 12.43 636.3481 M-H 480.3083_12.58 12.58 480.3083 M-H 271.2272_12.63 12.63 271.2272 M-H Butanoyl-PAF 12.7 596.3933 M+HCOO 554.3814_12.85 12.85 554.3814 M-H 583.255_12.85 12.85 583.255 M-H 552.3659_12.88 12.88 552.3659 M-H ?-Linolenic Acid 12.9 277.2173 M-H 306.2479_12.93 12.93 306.2479 M-H PAF C-18 13 596.3933 M+HCOO 473.2819_13.01 13.01 473.2819 M-H 473.2818_13.02 13.02 473.2818 M-H 464.3137_13.09 13.09 464.3137 M-H Docosahexaenoic acid 13.4 327.233 M-H Arachidonic Acid 13.4 303.233 M-H 332.2636_13.47 13.47 332.2636 M-H 339.2314_13.49 13.49 339.2314 M-H 327.232_13.49 13.49 327.232 M-H 339.2312_13.51 13.51 339.2312 M-H 311.2822_13.51 13.51 311.2822 M-H 279.2322_13.55 13.55 279.2322 M-H 303.2322_13.55 13.55 303.2322 M-H 466.1654_13.56 13.56 466.1654 M-H 537.4147_13.58 13.58 537.4147 M-H 467.3727_13.68 13.68 467.3727 M-H 539.4299_13.68 13.68 539.4299 M-H 445.3311_13.75 13.75 445.3311 M-H Cholesterol sulfate 13.8 465.3044 M-H Dihomo-?-Linolenic Acid 13.8 305.2486 M-H Palmitic acid 13.8 255.233 M-H 591.4615_13.88 13.88 591.4615 M-H 367.2633_13.93 13.93 367.2633 M-H 367.2632_13.94 13.94 367.2632 M-H 539.4302_13.95 13.95 539.4302 M-H 340.2094_13.96 13.96 340.2094 M-H 255.2325_13.97 13.97 255.2325 M-H 442.1652_13.97 13.97 442.1652 M-H 323.2194_13.97 13.97 323.2194 M-H 465.3033_14.05 14.05 465.3033 M-H 465.3036_14.05 14.05 465.3036 M-H 445.3311_14.06 14.06 445.3311 M-H Adrenic Acid 14.2 331.2643 M-H 281.2481_14.2 14.2 281.2481 M-H 349.2354_14.2 14.2 349.2354 M-H 366.225_14.2 14.2 366.225 M-H 468.1809_14.22 14.22 468.1809 M-H 441.2019_14.27 14.27 441.2019 M-H 425.3623_14.27 14.27 425.3623 M-H SM(d18:1/12:0) 14.3 691.5032 M+HCOO 591.4617_14.3 14.3 591.4617 M-H 554.3112_14.33 14.33 554.3112 M-H 537.3213_14.33 14.33 537.3213 M-H 447.3461_14.33 14.33 447.3461 M-H 537.3211_14.33 14.33 537.3211 M-H 593.4774_14.37 14.37 593.4774 M-H 403.2634_14.4 14.4 403.2634 M-H 459.291_14.5 14.5 459.291 M-H 717.5176_14.64 14.64 717.5176 M-H 595.4928_14.71 14.71 595.4928 M-H 573.4509_14.73 14.73 573.4509 M-H 596.4963_14.74 14.74 596.4963 M-H Stearic acid 14.8 283.2643 M-H 591.3893_14.8 14.8 591.3893 M-H 283.2636_14.96 14.96 283.2636 M-H 423.3259_15.04 15.04 423.3259 M-H 423.3258_15.07 15.07 423.3258 M-H 239.0606_15.13 15.13 239.0606 M-H 719.5339_15.19 15.19 719.5339 M-H 787.5209_15.19 15.19 787.5209 M-H 505.3316_15.36 15.36 505.3316 M-H 745.5497_15.37 15.37 745.5497 M-H 813.5365_15.37 15.37 813.5365 M-H 762.539_15.38 15.38 762.539 M-H 881.5237_15.38 15.38 881.5237 M-H 505.3316_15.39 15.39 505.3316 M-H 505.3315_15.39 15.39 505.3315 M-H 459.3262_15.45 15.45 459.3262 M-H 459.3261_15.46 15.46 459.3261 M-H 421.3101_15.51 15.51 421.3101 M-H 421.3101_15.52 15.52 421.3101 M-H 733.5492_15.53 15.53 733.5492 M-H 771.5643_15.63 15.63 771.5643 M-H SM(d18:1/16:0) 15.7 747.5658 M+HCOO LacCer(d18:1/16:0) 15.7 906.6159 M+HCOO 522.3214_15.78 15.78 522.3214 M-H 505.3315_15.8 15.8 505.3315 M-H 522.3215_15.8 15.8 522.3215 M-H 505.3314_15.81 15.81 505.3314 M-H 747.5654_15.85 15.85 747.5654 M-H 764.5548_15.85 15.85 764.5548 M-H 737.5358_15.85 15.85 737.5358 M-H 815.5524_15.86 15.86 815.5524 M-H 883.5393_15.86 15.86 883.5393 M-H SM(d18:1/18:1) 15.9 773.5814 M+HCOO 951.5263_15.87 15.87 951.5263 M-H 557.4561_16.01 16.01 557.4561 M-H 826.5583_16.01 16.01 826.5583 M-H 841.5768_16.03 16.03 841.5768 M-H 773.5807_16.04 16.04 773.5807 M-H GlcCer(d18:1/16:0) 16.1 744.5631 M+HCOO 750.5823_16.09 16.09 750.5823 M-H Eicosapentaenoyl PAF C-16 16.2 810.5654 M+HCOO 761.5807_16.16 16.16 761.5807 M-H 829.5676_16.16 16.16 829.5676 M-H 897.5547_16.16 16.16 897.5547 M-H 778.5699_16.16 16.16 778.5699 M-H Cer(d18:1/14:0) 16.2 554.479 M-H 459.3261_16.17 16.17 459.3261 M-H 459.3259_16.18 16.18 459.3259 M-H 850.5593_16.2 16.2 850.5593 M-H 826.56_16.25 16.25 826.56 M-H 819.5469_16.25 16.25 819.5469 M-H 894.5463_16.27 16.27 894.5463 M-H PE(16:0/18:2) 16.3 714.5079 M-H 870.5475_16.29 16.29 870.5475 M-H SM(d18:1/18:0) 16.3 775.5971 M+HCOO 802.5603_16.3 16.3 802.5603 M-H 938.5338_16.3 16.3 938.5338 M-H PC(16:0/16:0) OR PC(18:0/14:0) 16.4 778.5604 M+HCOO 852.5745_16.37 16.37 852.5745 M-H Docosahexaenoyl PAF C-16 16.4 836.5811 M+HCOO PC(16:0/18:1) 16.4 804.576 M+HCOO 896.5647_16.44 16.44 896.5647 M-H 775.5961_16.46 16.46 775.5961 M-H 843.5824_16.46 16.46 843.5824 M-H Arachidonoyl PAF C-16 16.5 812.5811 M+HCOO 828.5727_16.48 16.48 828.5727 M-H 786.5643_16.55 16.55 786.5643 M-H PC(18:1/18:1) 16.6 830.5917 M+HCOO 801.6109_16.61 16.61 801.6109 M-H 812.5795_16.61 16.61 812.5795 M-H 788.5788_16.61 16.61 788.5788 M-H 880.5675_16.61 16.61 880.5675 M-H 872.5623_16.62 16.62 872.5623 M-H 553.4935_16.62 16.62 553.4935 M-H 570.4836_16.62 16.62 570.4836 M-H 804.5746_16.64 16.64 804.5746 M-H 906.5828_16.68 16.68 906.5828 M-H 838.5951_16.69 16.69 838.5951 M-H 722.5118_16.71 16.71 722.5118 M-H 814.5925_16.71 16.71 814.5925 M-H Cer(d18:0/16:0) 16.7 582.5103 M+HCOO PE(18:1/18:1) 16.7 742.5392 M-H 830.5901_16.77 16.77 830.5901 M-H 898.5756_16.79 16.79 898.5756 M-H 748.5271_16.79 16.79 748.5271 M-H 854.592_16.8 16.8 854.592 M-H 853.6422_16.8 16.8 853.6422 M-H Dihydro Cer (d18:0/16:0) 16.9 584.5259 M+HCOO 856.6034_16.96 16.96 856.6034 M-H 803.6266_17.01 17.01 803.6266 M-H 840.6105_17.09 17.09 840.6105 M-H 829.6424_17.11 17.11 829.6424 M-H 596.5246_17.11 17.11 596.5246 M-H 613.5148_17.11 17.11 613.5148 M-H 598.5154_17.12 17.12 598.5154 M-H 581.525_17.12 17.12 581.525 M-H 695.503_17.13 17.13 695.503 M-H 598.5157_17.13 17.13 598.5157 M-H 581.5252_17.13 17.13 581.5252 M-H 695.5028_17.13 17.13 695.5028 M-H 855.658_17.14 17.14 855.658 M-H 923.6464_17.14 17.14 923.6464 M-H 885.5488_17.18 17.18 885.5488 M-H 831.6579_17.45 17.45 831.6579 M-H 857.6736_17.46 17.46 857.6736 M-H 626.5467_17.57 17.57 626.5467 M-H 609.5563_17.57 17.57 609.5563 M-H 723.5343_17.57 17.57 723.5343 M-H 626.5469_17.57 17.57 626.5469 M-H 609.5566_17.57 17.57 609.5566 M-H 723.5342_17.57 17.57 723.5342 M-H 599.5259_17.58 17.58 599.5259 M-H SM(d18:1/24:0) 17.7 859.691 M+HCOO 751.5653_17.94 17.94 751.5653 M-H 654.5777_17.95 17.95 654.5777 M-H 637.5874_17.95 17.95 637.5874 M-H 654.5779_17.95 17.95 654.5779 M-H 637.5875_17.95 17.95 637.5875 M-H 751.5652_17.95 17.95 751.5652 M-H Cer(d18:1/24:1) 18 692.6198 M+HCOO Cer(d18:0/22:0) 18 666.6042 M+HCOO 384.9344_18.05 18.05 384.9344 M-H 384.9344_18.09 18.09 384.9344 M-H 384.9345_18.1 18.1 384.9345 M-H 452.9218_18.11 18.11 452.9218 M-H 452.9218_18.14 18.14 452.9218 M-H 384.9344_18.14 18.14 384.9344 M-H Cer(d18:1/24:0) 18.3 694.6355 M+HCOO 473.282_18.48 18.48 473.282 M-H 473.282_18.5 18.5 473.282 M-H 99.9255_18.62 18.62 99.9255 M-H 224.0561_18.86 18.86 224.0561 M-H 364.962_19.9354 19.9354 364.962 M-H 364.962_19.9405 19.9405 364.962 M-H 364.9622_20.14 20.14 364.9622 M-H 364.9619_20.14 20.14 364.9619 M-H 364.9619_20.2 20.2 364.9619 M-H 243.9527_20.42 20.42 243.9527 M-H 243.9527_20.436 20.436 243.9527 M-H 243.9527_20.4382 20.4382 243.9527 M-H 243.9527_20.46 20.46 243.9527 M-H 243.9527_20.48 20.48 243.9527 M-H 265.1474_20.5 20.5 265.1474 M-H 265.1475_20.5 20.5 265.1475 M-H 401.9244_20.88 20.88 401.9244 M-H 265.9501_20.88 20.88 265.9501 M-H 537.8994_20.89 20.89 537.8994 M-H 605.8867_20.89 20.89 605.8867 M-H 673.8742_20.89 20.89 673.8742 M-H 741.8616_20.89 20.89 741.8616 M-H 333.9371_20.89 20.89 333.9371 M-H 469.9117_20.89 20.89 469.9117 M-H 401.9244_20.89 20.89 401.9244 M-H 452.9219_20.9 20.9 452.9219 M-H 588.8971_20.9 20.9 588.8971 M-H 384.9344_20.9 20.9 384.9344 M-H 656.8844_20.9 20.9 656.8844 M-H 724.8717_20.9 20.9 724.8717 M-H 792.859_20.9 20.9 792.859 M-H 469.9119_20.9 20.9 469.9119 M-H 860.8461_20.9 20.9 860.8461 M-H 928.8333_20.9 20.9 928.8333 M-H 588.8969_20.9 20.9 588.8969 M-H 792.8587_20.9 20.9 792.8587 M-H 537.8992_20.9 20.9 537.8992 M-H 605.8867_20.9 20.9 605.8867 M-H 860.8459_20.9 20.9 860.8459 M-H 673.8741_20.9 20.9 673.8741 M-H 741.8615_20.9 20.9 741.8615 M-H 520.9094_20.9009 20.9009 520.9094 M-H 520.9094_20.902 20.902 520.9094 M-H 197.9631_20.9096 20.9096 197.9631 M-H 248.97_20.91 20.91 248.97 M-H 316.9474_20.91 20.91 316.9474 M-H 180.9743_20.91 20.91 180.9743 M-H 333.9371_20.91 20.91 333.9371 M-H 248.9702_20.91 20.91 248.9702 M-H 316.9472_20.91 20.91 316.9472 M-H 452.9219_20.91 20.91 452.9219 M-H 384.9344_20.91 20.91 384.9344 M-H 656.8842_20.91 20.91 656.8842 M-H 724.8715_20.91 20.91 724.8715 M-H 180.9742_20.91 20.91 180.9742 M-H 197.9631_20.9103 20.9103 197.9631 M-H 265.9502_20.92 20.92 265.9502 M-H 197.9631_20.92 20.92 197.9631 M-H 129.9757_20.9504 20.9504 129.9757 M-H 129.9757_20.9506 20.9506 129.9757 M-H 158.9755_20.96 20.96 158.9755 M-H 100.9335_20.96 20.96 100.9335 M-H 156.9811_20.96 20.96 156.9811 M-H 1079.9765_20.96 20.96 1079.9765 M-H 130.929_20.96 20.96 130.929 M-H 226.9634_20.96 20.96 226.9634 M-H 132.9235_20.96 20.96 132.9235 M-H 1079.9762_20.96 20.96 1079.9762 M-H 132.9234_20.97 20.97 132.9234 M-H 115.9206_20.97 20.97 115.9206 M-H 158.9755_20.97 20.97 158.9755 M-H 100.9335_20.97 20.97 100.9335 M-H 156.9811_20.97 20.97 156.9811 M-H 226.9636_20.97 20.97 226.9636 M-H 115.9207_20.97 20.97 115.9207 M-H 113.926_20.98 20.98 113.926 M-H 115.9206_20.98 20.98 115.9206 M-H 192.9287_20.99 20.99 192.9287 M-H 234.9266_20.99 20.99 234.9266 M-H 146.9235_21 21 146.9235 M-H 192.9286_21 21 192.9286 M-H 146.9237_21 21 146.9237 M-H 185.9111_21.0065 21.0065 185.9111 M-H 185.9111_21.0069 21.0069 185.9111 M-H 218.9284_21.008 21.008 218.9284 M-H 218.9284_21.0089 21.0089 218.9284 M-H 146.9659_21.01 21.01 146.9659 M-H 209.919_21.01 21.01 209.919 M-H 146.966_21.01 21.01 146.966 M-H 202.9487_21.02 21.02 202.9487 M-H 223.9874_21.02 21.02 223.9874 M-H 202.9493_21.02 21.02 202.9493 M-H 209.919_21.02 21.02 209.919 M-H 220.9243_21.0273 21.0273 220.9243 M-H 220.9243_21.0291 21.0291 220.9243 M-H 226.909_21.03 21.03 226.909 M-H 250.9002_21.03 21.03 250.9002 M-H 223.987_21.03 21.03 223.987 M-H 282.872_21.03 21.03 282.872 M-H 191.9461_21.0306 21.0306 191.9461 M-H 191.9461_21.0312 21.0312 191.9461 M-H 141.0041_21.0364 21.0364 141.0041 M-H 123.0121_21.04 21.04 123.0121 M-H 68.9956_21.04 21.04 68.9956 M-H 218.9892_21.04 21.04 218.9892 M-H 212.9108_21.04 21.04 212.9108 M-H 194.9896_21.04 21.04 194.9896 M-H 192.9907_21.04 21.04 192.9907 M-H 282.8721_21.04 21.04 282.8721 M-H 200.9982_21.04 21.04 200.9982 M-H 250.9954_21.04 21.04 250.9954 M-H 268.9903_21.04 21.04 268.9903 M-H 168.9902_21.04 21.04 168.9902 M-H 244.9905_21.04 21.04 244.9905 M-H 140.0124_21.04 21.04 140.0124 M-H 140.0183_21.04 21.04 140.0183 M-H 276.9929_21.04 21.04 276.9929 M-H 188.9518_21.04 21.04 188.9518 M-H 139.0157_21.04 21.04 139.0157 M-H 226.9091_21.04 21.04 226.9091 M-H 218.9894_21.04 21.04 218.9894 M-H 200.998_21.04 21.04 200.998 M-H 168.9904_21.04 21.04 168.9904 M-H 250.9957_21.04 21.04 250.9957 M-H 170.9829_21.04 21.04 170.9829 M-H 212.9109_21.04 21.04 212.9109 M-H 130.9925_21.04 21.04 130.9925 M-H 141.0041_21.0409 21.0409 141.0041 M-H 123.0121_21.0429 21.0429 123.0121 M-H 112.9856_21.0451 21.0451 112.9856 M-H 243.8994_21.0459 21.0459 243.8994 M-H 243.8994_21.0497 21.0497 243.8994 M-H 130.9925_21.05 21.05 130.9925 M-H 230.9891_21.05 21.05 230.9891 M-H 113.9888_21.05 21.05 113.9888 M-H 68.9956_21.05 21.05 68.9956 M-H 194.9896_21.05 21.05 194.9896 M-H 276.9932_21.05 21.05 276.9932 M-H 188.9518_21.05 21.05 188.9518 M-H 244.9904_21.05 21.05 244.9904 M-H 192.99_21.05 21.05 192.99 M-H 112.9856_21.0506 21.0506 112.9856 M-H 239.0955_21.06 21.06 239.0955 M-H 200.8586_21.06 21.06 200.8586 M-H 165.0589_21.06 21.06 165.0589 M-H 239.0956_21.06 21.06 239.0956 M-H 165.059_21.06 21.06 165.059 M-H 200.8585_21.06 21.06 200.8585 M-H 250.9002_21.06 21.06 250.9002 M-H 116.9279_21.0655 21.0655 116.9279 M-H 144.9231_21.067 21.067 144.9231 M-H 116.9279_21.0672 21.0672 116.9279 M-H 207.1059_21.07 21.07 207.1059 M-H 144.9231_21.071 21.071 144.9231 M-H 79.9572_21.0788 21.0788 79.9572 M-H 175.8737_21.08 21.08 175.8737 M-H 95.9165_21.08 21.08 95.9165 M-H 207.1058_21.08 21.08 207.1058 M-H 79.9572_21.0801 21.0801 79.9572 M-H 95.9165_21.09 21.09 95.9165 M-H 249.1525_21.09 21.09 249.1525 M-H 342.7632_21.09 21.09 342.7632 M-H 175.8737_21.09 21.09 175.8737 M-H 310.7913_21.1 21.1 310.7913 M-H 310.7914_21.1 21.1 310.7914 M-H 224.8663_21.10116 21.10116 224.8663 M-H 224.8663_21.10123 21.10123 224.8663 M-H 213.0146_21.13 21.13 213.0146 M-H 206.9729_21.2 21.2 206.9729 M-H 246.8479_21.2226 21.2226 246.8479 M-H 246.8479_21.2236 21.2236 246.8479 M-H 252.9154_21.23 21.23 252.9154 M-H 252.9155_21.24 21.24 252.9155 M-H 249.978_21.25 21.25 249.978 M-H 205.9881_21.25 21.25 205.9881 M-H 247.9824_21.25 21.25 247.9824 M-H 180.9736_21.2508 21.2508 180.9736 M-H 180.9736_21.2528 21.2528 180.9736 M-H 205.9881_21.26 21.26 205.9881 M-H 247.9823_21.26 21.26 247.9823 M-H 249.9781_21.27 21.27 249.9781 M-H 366.9045_21.28 21.28 366.9045 M-H 145.9308_21.29 21.29 145.9308 M-H 366.9045_21.29 21.29 366.9045 M-H 235.9261_21.3 21.3 235.9261 M-H 233.9307_21.3 21.3 233.9307 M-H 543.7806_21.3 21.3 543.7806 M-H 209.9278_21.3 21.3 209.9278 M-H 145.9308_21.3 21.3 145.9308 M-H 352.8527_21.31 21.31 352.8527 M-H 469.7802_21.31 21.31 469.7802 M-H 152.9787_21.31 21.31 152.9787 M-H 235.9262_21.31 21.31 235.9262 M-H 233.9307_21.31 21.31 233.9307 M-H 352.8528_21.32 21.32 352.8528 M-H 283.9385_21.32 21.32 283.9385 M-H 469.7801_21.32 21.32 469.7801 M-H 660.7081_21.3257 21.3257 660.7081 M-H 660.7081_21.3295 21.3295 660.7081 M-H 283.9385_21.33 21.33 283.9385 M-H 163.9405_21.33 21.33 163.9405 M-H 395.7796_21.33 21.33 395.7796 M-H 207.931_21.34 21.34 207.931 M-H 498.7829_21.35 21.35 498.7829 M-H 207.931_21.35 21.35 207.931 M-H 498.783_21.35 21.35 498.783 M-H 163.9406_21.36 21.36 163.9406 M-H 307.8554_21.3683 21.3683 307.8554 M-H 307.8554_21.3716 21.3716 307.8554 M-H 239.9026_21.39 21.39 239.9026 M-H 239.9025_21.42 21.42 239.9025 M-H 241.891_21.43 21.43 241.891 M-H 239.9026_21.43 21.43 239.9026 M-H 190.9285_21.44 21.44 190.9285 M-H 190.9285_21.45 21.45 190.9285 M-H 241.891_21.46 21.46 241.891 M-H 239.9025_21.46 21.46 239.9025 M-H 190.9285_21.47 21.47 190.9285 M-H 239.9025_21.48 21.48 239.9025 M-H 190.9285_21.49 21.49 190.9285 M-H 239.9025_21.5 21.5 239.9025 M-H 96.9673_21.52 21.52 96.9673 M-H 336.8579_21.5319 21.5319 336.8579 M-H 336.8579_21.5326 21.5326 336.8579 M-H 96.9675_21.54 21.54 96.9675 M-H 203.9366_21.54 21.54 203.9366 M-H 102.9486_21.55 21.55 102.9486 M-H 146.9384_21.55 21.55 146.9384 M-H 146.9384_21.5574 21.5574 146.9384 M-H 146.9384_21.5587 21.5587 146.9384 M-H 336.8579_21.5675 21.5675 336.8579 M-H 336.8579_21.569 21.569 336.8579 M-H 196.8927_21.57 21.57 196.8927 M-H 146.9384_21.57 21.57 146.9384 M-H 146.9384_21.58 21.58 146.9384 M-H 196.8928_21.59 21.59 196.8928 M-H 196.8926_21.61 21.61 196.8926 M-H 336.8579_21.62 21.62 336.8579 M-H 102.9486_21.63 21.63 102.9486 M-H 196.8928_21.63 21.63 196.8928 M-H METABOLITES_END #END