#METABOLOMICS WORKBENCH amitch_20160113_9922291_mwtab.txt DATATRACK_ID:480 kenanazam_20160114_115739 STUDY_ID:ST000310 ANALYSIS_ID:AN000490 PROJECT_ID:PR000249 VERSION 1 CREATED_ON January 14, 2016, 11:57 am #PROJECT PR:PROJECT_TITLE Lupus lipidomics PR:PROJECT_SUMMARY The purpose of this study was to compare the metabolic and lipidomic profile of PR:PROJECT_SUMMARY plasma from 3 month old lupus-prone (TC) and control (B6) mice. PR:INSTITUTE University of Florida PR:DEPARTMENT Pathology, Immunology & Laboratory Medicine PR:LABORATORY Laurence M. Morel Laboratory PR:LAST_NAME Morel PR:FIRST_NAME Laurence PR:ADDRESS College of Medicine 1395 Center Drive, D6-18 Gainesville, FL 32610-0275 PR:EMAIL morel@ufl.edu PR:PHONE 352-392-3790 #STUDY ST:STUDY_TITLE TC and B6 untreated plasma in lupus-prone mice lipidomics (part-II) ST:STUDY_TYPE untreated ST:STUDY_SUMMARY compare plasma samples from 3 month old lupus-prone (TC) and control (B6) mice ST:INSTITUTE University of Florida ST:DEPARTMENT SECIM ST:LABORATORY Laurence M. Morel Laboratory ST:LAST_NAME Morel ST:FIRST_NAME Laurence ST:ADDRESS College of Medicine 1395 Center Drive, D6-18 Gainesville, FL 32610-0275 ST:EMAIL morel@ufl.edu ST:PHONE 352-392-3790 ST:NUM_GROUPS 2 ST:TOTAL_SUBJECTS 17 #SUBJECT SU:SUBJECT_TYPE Animal SU:SUBJECT_SPECIES Mus musculus SU:TAXONOMY_ID 10090 SU:GENOTYPE_STRAIN [C57BL-6J (B6)]/[B6.Sle1.Sle2.Sle3 (TC)] SU:AGE_OR_AGE_RANGE 99 days/93-99 days SU:GENDER female SU:ANIMAL_ANIMAL_SUPPLIER in house/in house SU:ANIMAL_HOUSING SPF/SPF SU:ANIMAL_LIGHT_CYCLE standard|standard SU:ANIMAL_FEED standard|standard SU:ANIMAL_WATER standard|standard #SUBJECT_SAMPLE_FACTORS: SUBJECT(optional)[tab]SAMPLE[tab]FACTORS(NAME:VALUE pairs separated by |)[tab]Additional sample data SUBJECT_SAMPLE_FACTORS - B6_F1 Strain:C57BL/6J | Treatment:control SUBJECT_SAMPLE_FACTORS - B6_F1_2 Strain:C57BL/6J | Treatment:control SUBJECT_SAMPLE_FACTORS - B6_F2 Strain:C57BL/6J | Treatment:control SUBJECT_SAMPLE_FACTORS - B6_F3 Strain:C57BL/6J | Treatment:control SUBJECT_SAMPLE_FACTORS - B6_F3_2 Strain:C57BL/6J | Treatment:control SUBJECT_SAMPLE_FACTORS - B6_F4 Strain:C57BL/6J | Treatment:control SUBJECT_SAMPLE_FACTORS - B6_F4_2 Strain:C57BL/6J | Treatment:control SUBJECT_SAMPLE_FACTORS - B6_F5 Strain:C57BL/6J | Treatment:control SUBJECT_SAMPLE_FACTORS - B6_F5_2 Strain:C57BL/6J | Treatment:control SUBJECT_SAMPLE_FACTORS - TC_f3646 Strain:B6.Sle1.Sle2.Sle3 (TC) | Treatment:lupus prone SUBJECT_SAMPLE_FACTORS - TC_f3646_2 Strain:B6.Sle1.Sle2.Sle3 (TC) | Treatment:lupus prone SUBJECT_SAMPLE_FACTORS - TC_f3649 Strain:B6.Sle1.Sle2.Sle3 (TC) | Treatment:lupus prone SUBJECT_SAMPLE_FACTORS - TC_f3649_2 Strain:B6.Sle1.Sle2.Sle3 (TC) | Treatment:lupus prone SUBJECT_SAMPLE_FACTORS - TC_f3651 Strain:B6.Sle1.Sle2.Sle3 (TC) | Treatment:lupus prone SUBJECT_SAMPLE_FACTORS - TC_f3651_2 Strain:B6.Sle1.Sle2.Sle3 (TC) | Treatment:lupus prone SUBJECT_SAMPLE_FACTORS - TC_f3668 Strain:B6.Sle1.Sle2.Sle3 (TC) | Treatment:lupus prone SUBJECT_SAMPLE_FACTORS - TC_f3668_2 Strain:B6.Sle1.Sle2.Sle3 (TC) | Treatment:lupus prone #COLLECTION CO:COLLECTION_SUMMARY None CO:COLLECTION_PROTOCOL_ID IACUC 201308189 CO:SAMPLE_TYPE blood CO:COLLECTION_METHOD heart puncture CO:COLLECTION_TIME terminal CO:STORAGE_CONDITIONS -20C CO:COLLECTION_VIALS heparinized tubes CO:BLOOD_SERUM_OR_PLASMA plasma #TREATMENT TR:TREATMENT_SUMMARY no treatement (controls for KD diet study) #SAMPLEPREP SP:SAMPLEPREP_SUMMARY None SP:SAMPLEPREP_PROTOCOL_FILENAME Lipidomics_LCMSProtocol.pdf #CHROMATOGRAPHY CH:CHROMATOGRAPHY_SUMMARY None CH:CHROMATOGRAPHY_TYPE Reversed phase CH:INSTRUMENT_NAME Thermo Dionex Ultimate 3000 CH:COLUMN_NAME ACE Excel 2 C18-PFP (100 x 2.1mm, 2um) CH:METHODS_FILENAME Lipidomics_LCMSProtocol.pdf #ANALYSIS AN:ANALYSIS_TYPE MS AN:ANALYSIS_PROTOCOL_FILE Metabolomics_LCMSProtocol_plasma.pdf #MS MS:INSTRUMENT_NAME Thermo Q Exactive Orbitrap MS:INSTRUMENT_TYPE Orbitrap MS:MS_TYPE ESI MS:ION_MODE POSITIVE MS:MS_COMMENTS HESI Positive Peak Area #MS_METABOLITE_DATA MS_METABOLITE_DATA:UNITS Peak Area MS_METABOLITE_DATA_START Samples TC_f3646 TC_f3646_2 TC_f3649 TC_f3649_2 TC_f3651 TC_f3651_2 TC_f3668 TC_f3668_2 B6_F1 B6_F1_2 B6_F2 B6_F3 B6_F3_2 B6_F4 B6_F4_2 B6_F5 Factors Strain:B6.Sle1.Sle2.Sle3 (TC) | Treatment:lupus prone Strain:B6.Sle1.Sle2.Sle3 (TC) | Treatment:lupus prone Strain:B6.Sle1.Sle2.Sle3 (TC) | Treatment:lupus prone Strain:B6.Sle1.Sle2.Sle3 (TC) | Treatment:lupus prone Strain:B6.Sle1.Sle2.Sle3 (TC) | Treatment:lupus prone Strain:B6.Sle1.Sle2.Sle3 (TC) | Treatment:lupus prone Strain:B6.Sle1.Sle2.Sle3 (TC) | Treatment:lupus prone Strain:B6.Sle1.Sle2.Sle3 (TC) | Treatment:lupus prone Strain:C57BL/6J | Treatment:control Strain:C57BL/6J | Treatment:control Strain:C57BL/6J | Treatment:control Strain:C57BL/6J | Treatment:control Strain:C57BL/6J | Treatment:control Strain:C57BL/6J | Treatment:control Strain:C57BL/6J | Treatment:control Strain:C57BL/6J | Treatment:control (-)-Jolkinol A 71800.00 526000.00 1390000.00 545000.00 4890.00 13600.00 2130000.00 2150000.00 28600000.00 26800.00 222000.00 132000000.00 2510000.00 18200.00 (20S,24S)-24-ethylthornasterol 370000.00 267000.00 356000.00 330000.00 308000.00 370000.00 313000.00 334000.00 339000.00 313000.00 321000.00 291000.00 352000.00 326000.00 295000.00 295000.00 (21-Methyl-8Z-pentatriacontene_1 98800.00 96100.00 98700.00 97400.00 101000.00 93000.00 100000.00 94900.00 108000.00 107000.00 99700.00 97400.00 89200.00 102000.00 99500.00 114000.00 (21-Methyl-8Z-pentatriacontene_2 97000.00 90100.00 206000.00 349000.00 334000.00 4860.00 279000.00 236000.00 5320.00 274000.00 390000.00 53700.00 100000.00 296000.00 274000.00 229000.00 (25S)-5alpha-cholestan-3beta,6alpha,7beta,8beta,15alpha,16beta,26-heptol 146000.00 147000.00 158000.00 158000.00 149000.00 152000.00 171000.00 171000.00 196000.00 198000.00 199000.00 134000.00 175000.00 157000.00 163000.00 155000.00 (6RS)-6,19-epidioxy-24,24-difluoro-25-hydroxy-6,19-dihydrovitamin D3 / (6RS)-6,19-epidioxy-24,24-difluoro-25-hydroxy-6,19-dihydrocholecalciferol 50900.00 46900.00 54400.00 52100.00 48400.00 48400.00 96300.00 78900.00 1350000.00 1370000.00 1380000.00 45000.00 60600.00 1730000.00 1820000.00 68200.00 1-(10-methylhexadecanyl)-2-(8-[3]-ladderane-octanyl)-sn-glycerophosphocholine 428000.00 414000.00 467000.00 463000.00 403000.00 422000.00 728000.00 599000.00 298000.00 304000.00 133000.00 256000.00 355000.00 326000.00 314000.00 358000.00 1-(14-methyl-pentadecanoyl)-2-(8-[3]-ladderane-octanyl)-sn-glycerol_1 466000.00 392000.00 27800.00 1440000.00 220000.00 478000.00 84600.00 880000.00 387000.00 119000.00 2410000.00 206000.00 133000.00 1-(14-methyl-pentadecanoyl)-2-(8-[3]-ladderane-octanyl)-sn-glycerol_2 33100.00 17000.00 1-(6-[5]-ladderane-hexanyl)-2-(8-[3]-ladderane-octanyl)-sn-glycero-3-phospho-(1'-sn-glycerol)_1 48000.00 42100.00 23400.00 21400.00 17000.00 17800.00 38800.00 36300.00 44800.00 47400.00 20300.00 342000.00 591000.00 48800.00 49100.00 547000.00 1-(6-[5]-ladderane-hexanyl)-2-(8-[3]-ladderane-octanyl)-sn-glycero-3-phospho-(1'-sn-glycerol)_2 201000.00 197000.00 138000.00 4420000.00 100000.00 3640000.00 6850000.00 136000.00 422000.00 439000.00 284000.00 79200.00 108000.00 596000.00 599000.00 2640000.00 1-(8-[3]-ladderane-octanoyl)-2-(8-[3]-ladderane-octanyl)-sn-glycerophosphocholine 1220000.00 1260000.00 1140000.00 23800.00 1010000.00 1160000.00 1450000.00 1330000.00 851000.00 415000.00 646000.00 683000.00 767000.00 890000.00 1050000.00 433000.00 1-(8-[3]-ladderane-octanyl)-2-(8-[3]-ladderane-octanyl)-sn-glycero-3-phospho-(1'-sn-glycerol)_1 1970000.00 1910000.00 1760000.00 1700000.00 1460000.00 1450000.00 2160000.00 1880000.00 1290000.00 1310000.00 969000.00 912000.00 1170000.00 1320000.00 1330000.00 1310000.00 1-(8-[3]-ladderane-octanyl)-2-(8-[3]-ladderane-octanyl)-sn-glycero-3-phospho-(1'-sn-glycerol)_2 3380000.00 3510000.00 3500000.00 3590000.00 3330000.00 3400000.00 3550000.00 3500000.00 2790000.00 2900000.00 2380000.00 2580000.00 3050000.00 3090000.00 3050000.00 2850000.00 1-(8-[3]-ladderane-octanyl)-2-(8-[3]-ladderane-octanyl)-sn-glycero-3-phospho-(1'-sn-glycerol)_3 451000000.00 7530000.00 6020000.00 6170000.00 281000000.00 5090000.00 7910000.00 6830000.00 6870000.00 7080000.00 3810000.00 231000000.00 5290000.00 7250000.00 7390000.00 4830000.00 1-(8-[3]-ladderane-octanyl)-2-(8-[3]-ladderane-octanyl)-sn-glycero-3-phospho-(1'-sn-glycerol)_4 451000000.00 437000000.00 347000000.00 341000000.00 281000000.00 294000000.00 442000000.00 402000000.00 63700000.00 408000000.00 219000000.00 231000000.00 307000000.00 638000.00 642000.00 274000000.00 1-(8-[5]-ladderane-octanyl)-2-(8-[3]-ladderane-octanyl)-sn-glycero-3-phospho-(1'-sn-glycerol)_1 4640000.00 4570000.00 4090000.00 4010000.00 3020000.00 3240000.00 4170000.00 3750000.00 4240000.00 4360000.00 1980000.00 1620000.00 2440000.00 4610000.00 4610000.00 2020000.00 1-(8-[5]-ladderane-octanyl)-2-(8-[3]-ladderane-octanyl)-sn-glycero-3-phospho-(1'-sn-glycerol)_2 31000000.00 28900000.00 21100000.00 20700000.00 18600000.00 20400000.00 39200000.00 35200000.00 27500000.00 28000000.00 18600000.00 14700000.00 20000000.00 39100000.00 38900000.00 15100000.00 1,000.5987 379000.00 527000.00 373000.00 132000.00 623000.00 415000.00 1510000.00 833000.00 455000.00 823000.00 309000.00 448000.00 292000.00 1370000.00 358000.00 35100.00 1,000.5988 42900.00 2060000.00 2190000.00 32500.00 1400000.00 1690000.00 2590000.00 1760000.00 1550000.00 1460000.00 635000.00 17200000.00 1240000.00 1680000.00 1660000.00 17500.00 1,000.5997 966000.00 930000.00 617000.00 589000.00 485000.00 521000.00 1260000.00 1110000.00 890000.00 894000.00 479000.00 288000.00 507000.00 1280000.00 1290000.00 297000.00 1,001.6063_1 545000.00 522000.00 352000.00 329000.00 277000.00 277000.00 689000.00 623000.00 505000.00 521000.00 273000.00 167000.00 279000.00 720000.00 719000.00 166000.00 1,001.6063_2 1260000.00 1000000.00 16700.00 16900.00 682000.00 916000.00 1270000.00 1050000.00 859000.00 839000.00 171000.00 10000000.00 650000.00 918000.00 924000.00 10000000.00 1,001.7716 1040000.00 881000.00 39000.00 45500.00 1880000.00 2040000.00 643000.00 873000.00 1020000.00 1120000.00 447000.00 1090000.00 1120000.00 1650000.00 1580000.00 1290000.00 1,002.5990 10300000.00 169000.00 114000.00 5660000.00 84100.00 84100.00 13200000.00 205000.00 7950000.00 161000.00 4890000.00 2570000.00 5200000.00 227000.00 229000.00 52400.00 1,002.6127 233000.00 229000.00 179000.00 180000.00 146000.00 155000.00 229000.00 210000.00 196000.00 205000.00 6560000.00 110000.00 160000.00 196000.00 209000.00 7590000.00 1,002.8543 12300000.00 11600000.00 131000.00 121000.00 148000.00 141000.00 12000000.00 11600000.00 71200.00 41600.00 141000.00 10100000.00 83100.00 64700.00 179000.00 1,002.8552 359000.00 343000.00 7110000.00 110000.00 138000.00 138000.00 394000.00 387000.00 85600.00 41600.00 145000.00 354000.00 83100.00 64700.00 233000.00 1,003.6079 164000.00 158000.00 9310000.00 9750000.00 152000.00 160000.00 146000.00 159000.00 133000.00 140000.00 112000.00 128000.00 154000.00 148000.00 150000.00 144000.00 1,003.6109 1250000.00 47800.00 29600.00 29300.00 1210000.00 1490000.00 59600.00 52300.00 41200.00 44600.00 1280000.00 879000.00 1460000.00 56000.00 60300.00 1080000.00 1,003.6264 4280000.00 3660000.00 3300000.00 97100.00 84600.00 82900.00 127000.00 115000.00 101000.00 6350000.00 64400.00 59300.00 83400.00 107000.00 4790000.00 1660000.00 1,003.8495 92000.00 103000.00 140000.00 112000.00 140000.00 141000.00 1,003.8506 258000.00 257000.00 201000.00 207000.00 102000.00 284000.00 147000.00 88000.00 128000.00 172000.00 1,004.6214 863000.00 242000.00 463000.00 494000.00 23800.00 406000.00 716000.00 1640000.00 536000.00 693000.00 948000.00 573000.00 459000.00 1060000.00 295000.00 159000.00 1,004.6361 1080000.00 1060000.00 830000.00 837000.00 742000.00 791000.00 1190000.00 1070000.00 805000.00 888000.00 646000.00 649000.00 919000.00 1080000.00 1120000.00 654000.00 1,005.6340 647000.00 672000.00 525000.00 526000.00 461000.00 522000.00 715000.00 671000.00 509000.00 525000.00 395000.00 396000.00 555000.00 669000.00 670000.00 398000.00 1,005.8745 165000.00 139000.00 115000.00 114000.00 136000.00 132000.00 148000.00 144000.00 86500.00 69200.00 143000.00 9910000.00 20500.00 20900.00 172000.00 1,006.6342 201000.00 195000.00 148000.00 153000.00 144000.00 154000.00 207000.00 198000.00 157000.00 165000.00 121000.00 126000.00 10300000.00 208000.00 209000.00 125000.00 1,006.6468 92200.00 83600.00 85400.00 84600.00 73900.00 77800.00 156000.00 119000.00 45300.00 3360000.00 1880000.00 2810000.00 70200.00 3420000.00 3270000.00 77700.00 1,006.8734 6290000.00 59400.00 45400.00 44300.00 6630000.00 7660000.00 56600.00 4770000.00 19100.00 67400.00 53100.00 70600.00 16900.00 17300.00 66400.00 1,006.8738 6900.00 1,007.6310 2310000.00 2590000.00 1830000.00 1770000.00 1790000.00 1900000.00 2590000.00 2450000.00 2220000.00 1990000.00 1120000.00 1510000.00 1820000.00 2490000.00 41100.00 1140000.00 1,007.6481 2600000.00 2780000.00 56500.00 3280000.00 2640000.00 2830000.00 79100.00 3260000.00 1630000.00 1470000.00 1150000.00 1520000.00 2280000.00 2000000.00 2080000.00 2510000.00 1,007.7082 2290000.00 2320000.00 2810000.00 2330000.00 2470000.00 2810000.00 106000.00 77900.00 1720000.00 1320000.00 512000.00 1680000.00 1700000.00 2050000.00 1940000.00 2040000.00 1,007.8751 66700.00 1,009.8966 5060000.00 6560000.00 4560000.00 122000.00 142000.00 128000.00 1990000.00 2170000.00 50300.00 136000.00 7610000.00 6730000.00 1,011.9092 76200.00 270000.00 24300.00 693000.00 190000.00 95600.00 160000.00 137000.00 22400.00 24500.00 20700.00 27400.00 19700.00 1220000.00 1,011.9097 3230000.00 1720000.00 148000.00 1730000.00 1620000.00 1380000.00 1430000.00 785000.00 20300.00 84400.00 5310000.00 20100.00 2470000.00 1,012.6892 105000.00 100000.00 110000.00 104000.00 80400.00 87500.00 181000.00 142000.00 2740000.00 3320000.00 86700.00 3700000.00 91700.00 92100.00 96200.00 95600.00 1,012.9319 49500.00 1,012.9328 70900.00 4630000.00 87500.00 4490000.00 80000.00 89200.00 3140000.00 2910000.00 293000.00 63500.00 120000.00 152000.00 62700.00 62500.00 118000.00 1,013.6981 21500.00 20200.00 1,013.6983 2940000.00 3500000.00 66000.00 2780000.00 3070000.00 3180000.00 110000.00 84600.00 1940000.00 1700000.00 2890000.00 2250000.00 3190000.00 3330000.00 3130000.00 3310000.00 1,013.9263 43000.00 65500.00 37600.00 1,013.9284 57200.00 3360000.00 186000.00 825000.00 3810000.00 59300.00 2320000.00 2170000.00 11100.00 13700.00 86300.00 6950000.00 45400.00 78400.00 89200.00 1,014.1608 1110000.00 747000.00 555000.00 1470000.00 808000.00 477000.00 94200.00 71200.00 266000.00 260000.00 236000.00 925000.00 2280000.00 173000.00 739000.00 2680000.00 1,014.6659 142000.00 7410000.00 165000.00 3310000.00 1100000.00 9220000.00 2730000.00 14700000.00 2150000.00 2790000.00 3210000.00 130000.00 13900000.00 121000.00 116000.00 262000.00 1,015.5999 72800.00 53900.00 242000.00 250000.00 184000.00 73000.00 70500.00 340000.00 300000.00 1,015.9518 771000.00 697000.00 528000.00 1130000.00 1570000.00 360000.00 133000.00 289000.00 234000.00 1930000.00 43000.00 28800.00 25300.00 1950000.00 1,015.9521 771000.00 973000.00 1540000.00 608000.00 712000.00 42900.00 272000.00 79100.00 25100.00 2700000.00 62800.00 106000.00 57300.00 2290000.00 1,016.5990 25500.00 10700.00 8490000.00 149000.00 6260000.00 26000.00 55000.00 193000.00 10500000.00 1,017.5997 10600.00 4130000.00 3790000.00 3110000.00 95500.00 4500000.00 1,017.9371 4030000.00 69200.00 67900.00 73500.00 63900.00 66400.00 83100.00 85000.00 118000.00 92300.00 37900.00 48100.00 171000.00 108000.00 2860000.00 1,018.9379 2690000.00 2800000.00 2740000.00 3260000.00 46200.00 3220000.00 3680000.00 3880000.00 90200.00 219000.00 1700000.00 2170000.00 234000.00 1970000.00 1,022.5762 136000.00 127000.00 94300.00 84300.00 79400.00 4550000.00 9390000.00 150000.00 121000.00 122000.00 4390000.00 2420000.00 75500.00 157000.00 168000.00 40700.00 1,022.6889 2110000.00 2950000.00 3400000.00 3400000.00 2910000.00 1420000.00 3310000.00 2070000.00 2250000.00 1740000.00 1430000.00 1640000.00 2730000.00 42200.00 2190000.00 1500000.00 1,023.7570 3860000.00 83600.00 1480000.00 3590000.00 3780000.00 96800.00 2620000.00 957000.00 93400.00 182000.00 72300.00 77800.00 82100.00 119000.00 107000.00 1,025.7785 221000.00 216000.00 342000.00 334000.00 344000.00 323000.00 136000.00 133000.00 49500.00 53700.00 74900.00 170000.00 240000.00 3040000.00 3030000.00 237000.00 1,026.6220 80400.00 78300.00 53400.00 50000.00 36600.00 40800.00 94500.00 77700.00 58100.00 62000.00 1110000.00 1500000.00 37300.00 68500.00 72700.00 33400.00 1,026.7771 142000.00 145000.00 239000.00 224000.00 228000.00 228000.00 5180000.00 87600.00 2050000.00 2160000.00 70400.00 114000.00 156000.00 2080000.00 2180000.00 156000.00 1,026.9812 38400.00 1,027.6211 50900.00 48700.00 33200.00 32000.00 1390000.00 25200.00 57600.00 52300.00 35600.00 37400.00 895000.00 683000.00 23700.00 44400.00 44500.00 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32000.00 1360000.00 1520000.00 33700.00 1,205.3276 427000.00 371000.00 722000.00 993000.00 696000.00 332000.00 484000.00 533000.00 318000.00 485000.00 491000.00 51000.00 748000.00 585000.00 128000.00 774000.00 1,206.3384 438000.00 420000.00 617000.00 667000.00 453000.00 860000.00 547000.00 621000.00 543000.00 530000.00 711000.00 34800.00 880000.00 668000.00 625000.00 760000.00 1,2-dihexadecanoyl-sn-glycero-3-phosphosulfocholine_1 122000.00 123000.00 74700.00 75700.00 2730000.00 51100.00 82400.00 3380000.00 173000.00 187000.00 3450000.00 1420000.00 2420000.00 194000.00 204000.00 1380000.00 1,2-dihexadecanoyl-sn-glycero-3-phosphosulfocholine_2 6630000.00 6770000.00 3520000.00 4190000.00 2730000.00 3340000.00 4400000.00 3380000.00 6210000.00 9580000.00 35400.00 1420000.00 2420000.00 7890000.00 7950000.00 1380000.00 1,2-ditetradecanoyl-sn-glycero-3-phosphosulfocholine 69900.00 73600.00 142000.00 153000.00 86500.00 92100.00 2960000.00 42200.00 148000.00 155000.00 245000.00 101000.00 389000.00 97600.00 74900.00 97000.00 10-oxo-docosanoic acid_1 1220000.00 762000.00 57300.00 1710000.00 1880000.00 3470000.00 69500.00 1970000.00 70100.00 82100.00 74100.00 2000000.00 1700000.00 1890000.00 1650000.00 3260000.00 10-oxo-docosanoic acid_2 299000.00 224000.00 65000.00 572000.00 1020000.00 126000.00 142000.00 482000.00 622000.00 235000.00 14900.00 13300.00 504000.00 19000.00 342000.00 51500.00 10Z-Pentacosene 478000.00 453000.00 459000.00 479000.00 454000.00 457000.00 481000.00 474000.00 456000.00 454000.00 471000.00 432000.00 443000.00 438000.00 447000.00 463000.00 11E-Tetradecen-1-ol 81700.00 88400.00 63400.00 60500.00 57400.00 58300.00 95000.00 89000.00 51900.00 54100.00 70400.00 42100.00 56900.00 67700.00 66200.00 54400.00 11-Hydroxyprogesterone 11-glucuronide 89300.00 191000.00 10300.00 7780.00 65800.00 2270000.00 1550000.00 126000.00 52800.00 1550000.00 55800.00 13-keto-9Z,11E,15Z-octadecatrienoic acid_1 904000.00 300000.00 1860000.00 1990000.00 13300.00 3200000.00 639000.00 833000.00 1370000.00 1470000.00 70800.00 859000.00 485000.00 462000.00 579000.00 203000.00 13-keto-9Z,11E,15Z-octadecatrienoic acid_2 313000.00 391000.00 1860000.00 1920000.00 51200.00 50600.00 340000.00 1030000.00 445000.00 361000.00 421000.00 859000.00 485000.00 388000.00 340000.00 321000.00 14-O-(beta-D-glucopyranosyl)-7S,14R-dihydroxy-7,9,13,17-tetramethyl-2E,4E,8E,10E,12E,16E-octadecahexaenoic acid 1090000.00 1400000.00 114000.00 431000.00 214000.00 31100.00 155000.00 214000.00 271000.00 280000.00 240000.00 733000.00 2660000.00 253000.00 244000.00 85900.00 15-methyl-15S-PGD2 647000.00 646000.00 618000.00 624000.00 633000.00 127000.00 733000.00 938000.00 1160000.00 1430000.00 1270000.00 244000.00 720000.00 1390000.00 36100.00 538000.00 16,17-epoxy-DHA 6610.00 13100.00 439000.00 626000.00 379000.00 500000.00 578000.00 554000.00 578000.00 713000.00 53800.00 23300.00 14500.00 682000.00 237000.00 19700.00 16:0 Cholesteryl ester 46800.00 48300.00 2580000.00 41300.00 37700.00 67200.00 70900.00 48500.00 49500.00 1620000.00 34500.00 52700.00 54400.00 1940000.00 16-Glutaryloxy-1alpha,25-dihydroxyvitamin D3 739000.00 703000.00 625000.00 604000.00 569000.00 547000.00 782000.00 612000.00 470000.00 484000.00 612000.00 659000.00 963000.00 425000.00 419000.00 701000.00 16-methyl-6Z,9Z-heptadecadienoic acid_1 102000.00 50200.00 321000.00 312000.00 246000.00 269000.00 213000.00 189000.00 1350000.00 1300000.00 126000.00 142000.00 242000.00 2070000.00 1950000.00 154000.00 16-methyl-6Z,9Z-heptadecadienoic acid_2 188000.00 422000.00 597000.00 523000.00 470000.00 483000.00 482000.00 446000.00 1450000.00 1420000.00 25700.00 229000.00 455000.00 1490000.00 1200000.00 328000.00 18:1 Cholesteryl ester 406000.00 401000.00 377000.00 375000.00 352000.00 355000.00 536000.00 529000.00 178000.00 174000.00 329000.00 432000.00 177000.00 170000.00 408000.00 18:1-Glc-cholesterol 748000.00 269000.00 1470000.00 707000.00 530000.00 256000.00 87100.00 684000.00 255000.00 429000.00 819000.00 1520000.00 529000.00 1050000.00 265000.00 18:3 Cholesteryl ester 213000.00 243000.00 252000.00 270000.00 240000.00 238000.00 363000.00 365000.00 877000.00 891000.00 139000.00 197000.00 960000.00 929000.00 193000.00 18:3-Glc-Campesterol_1 2630000.00 52300.00 3500000.00 2790000.00 2970000.00 2370000.00 2520000.00 2070000.00 1990000.00 2020000.00 1350000.00 1400000.00 2270000.00 1670000.00 1910000.00 1120000.00 18:3-Glc-Campesterol_2 1930000.00 28700.00 35300.00 35400.00 28400.00 1780000.00 3030000.00 2560000.00 1190000.00 1470000.00 873000.00 978000.00 1590000.00 1320000.00 1430000.00 1620000.00 18-Oxocortisol 1960000.00 2000000.00 2020000.00 1900000.00 1780000.00 1590000.00 2030000.00 1840000.00 67500.00 66800.00 65600.00 1600000.00 45300.00 55800.00 51400.00 1800000.00 1alpha,25-dihydroxy-19-nor-22-oxavitamin D3 / 1alpha,25-dihydroxy-19-nor-22-oxacholecalciferol 115000.00 114000.00 78400.00 76400.00 58600.00 56800.00 199000.00 165000.00 195000.00 202000.00 152000.00 82600.00 116000.00 284000.00 278000.00 86600.00 1alpha,25-dihydroxy-21-nor-20-oxavitamin D3 / 1alpha,25-dihydroxy-21-nor-20-oxacholecalciferol 152000.00 154000.00 158000.00 160000.00 156000.00 151000.00 137000.00 141000.00 149000.00 156000.00 152000.00 114000.00 155000.00 173000.00 163000.00 149000.00 1alpha,25-dihydroxy-2beta-(4-hydroxybutoxy)vitamin D3 / 1alpha,25-dihydroxy-2beta-(4-hydroxybutoxy)cholecalciferol 1030000.00 850000.00 1100000.00 830000.00 821000.00 839000.00 1040000.00 1330000.00 1140000.00 1050000.00 1100000.00 706000.00 686000.00 31800.00 1840000.00 599000.00 1alpha-hydroxy-22-[3-(1-hydroxy-1-methylethyl)phenyl]-23,24,25,26,27-pentanorvitamin D3 / 1alpha-hydroxy-22-[3-(1-hydroxy-1-methylethyl)phenyl]-23,24,25,26,27-pentanorcholecalciferol 222000.00 214000.00 258000.00 3040000.00 242000.00 253000.00 507000.00 7840000.00 135000.00 1760000.00 83600.00 171000.00 246000.00 169000.00 158000.00 296000.00 1beta,3alpha,7alpha,12alpha-Tetrahydroxy-5beta-cholan-24-oic Acid_1 3940000.00 3980000.00 109000.00 101000.00 4620000.00 102000.00 86800.00 100000.00 2630000.00 85000.00 94100.00 62700.00 97600.00 4850000.00 4370000.00 93700.00 1beta,3alpha,7alpha,12alpha-Tetrahydroxy-5beta-cholan-24-oic Acid_2 59300.00 104000.00 30700.00 37600.00 80000.00 65100.00 77800.00 65300.00 81000.00 3010.00 52300.00 62900.00 61100.00 61400.00 14300.00 81200.00 1beta,3alpha,7alpha,12alpha-Tetrahydroxy-5beta-cholan-24-oic Acid_3 71200.00 112000.00 60700.00 27800.00 85200.00 167000.00 133000.00 120000.00 81900.00 4610.00 31900.00 38100.00 66200.00 74800.00 108000.00 88800.00 1beta,3alpha,7alpha,12alpha-Tetrahydroxy-5beta-cholan-24-oic Acid_4 102000.00 103000.00 75600.00 71900.00 29700.00 103000.00 65800.00 73900.00 64100.00 101000.00 65800.00 3600.00 52100.00 61400.00 28500.00 51300.00 1-O-[(6'-O-hexadecanoyl)-a-D-glucopyranosyl]-(2-hexadecanoyloxy)-eicosan-1-ol_1 269000.00 265000.00 317000.00 311000.00 316000.00 314000.00 214000.00 216000.00 244000.00 339000.00 241000.00 309000.00 335000.00 299000.00 300000.00 1-O-[(6'-O-hexadecanoyl)-a-D-glucopyranosyl]-(2-hexadecanoyloxy)-eicosan-1-ol_2 482000.00 492000.00 428000.00 410000.00 476000.00 469000.00 347000.00 19400000.00 83400.00 24600.00 377000.00 31700000.00 50500.00 42500.00 539000.00 1-O-[(6'-O-tetradecanoyl)-a-D-glucopyranosyl]-(2-tetradecanoyloxy)-eicosan-1-ol_1 4750000.00 7040000.00 12800000.00 12700000.00 12000000.00 12300000.00 6480000.00 6430000.00 101000.00 72400.00 294000.00 7190000.00 10200000.00 3100000.00 2990000.00 9440000.00 1-O-[(6'-O-tetradecanoyl)-a-D-glucopyranosyl]-(2-tetradecanoyloxy)-eicosan-1-ol_2 2470000.00 312000000.00 95600000.00 155000000.00 171000000.00 182000000.00 264000000.00 180000000.00 1320000.00 1020000.00 21900.00 117000000.00 171000000.00 1550000.00 1230000.00 171000000.00 1-O-[(6'-O-tetradecanoyl)-a-D-glucopyranosyl]-(2-tetradecanoyloxy)-eicosan-1-ol_3 206000000.00 312000000.00 95600000.00 175000.00 171000000.00 182000000.00 264000000.00 180000000.00 853000.00 1020000.00 21900.00 117000000.00 171000000.00 1550000.00 1230000.00 171000000.00 1-O-alpha-D-glucopyranosyl-(2-hexadecanoyloxy)-eicosan-1-ol 1090000.00 1920000.00 1060000.00 1390000.00 906000.00 1990000.00 89200.00 91100.00 738000.00 380000.00 1290000.00 1310000.00 38400.00 2020000.00 1-tetradecanyl-2-(8-[3]-ladderane-octanyl)-sn-glycerophosphoethanolamine 917000.00 894000.00 945000.00 939000.00 805000.00 865000.00 1400000.00 1170000.00 518000.00 539000.00 273000.00 534000.00 790000.00 678000.00 679000.00 703000.00 2',4'-Dihydroxychalcone_1 46300.00 2630000.00 61500.00 59000.00 62700.00 66300.00 254000.00 212000.00 8050000.00 7150000.00 66900.00 142000.00 243000.00 5040000.00 99100.00 194000.00 2',4'-Dihydroxychalcone_2 152000.00 3170.00 78000.00 244000.00 231000.00 198000.00 252000.00 150000.00 219000.00 169000.00 141000.00 133000.00 216000.00 2,4-dimethyl-2-eicosenoic acid 224000.00 147000.00 949000.00 932000.00 397000.00 400000.00 949000.00 995000.00 76000.00 2740000.00 220000.00 137000.00 162000.00 58000.00 77200.00 116000.00 20:2 Cholesteryl ester_1 1890000.00 35100.00 33700.00 34000.00 1810000.00 34000.00 33900.00 39700.00 52700.00 44000.00 748000.00 1330000.00 43100.00 98100.00 34100.00 20:2 Cholesteryl ester_2 2880000.00 2810000.00 2470000.00 3750000.00 3420000.00 3040000.00 2820000.00 3860000.00 1740000.00 31400.00 3600000.00 3610000.00 1870000.00 1830000.00 4110000.00 20:3 Cholesteryl ester 242000.00 258000.00 287000.00 16100000.00 261000.00 238000.00 376000.00 436000.00 1760000.00 1510000.00 198000.00 13700000.00 1690000.00 1760000.00 291000.00 20:4 Cholesteryl ester_1 12200000.00 12300000.00 12000000.00 12400000.00 11800000.00 12000000.00 16100000.00 17200000.00 953000.00 993000.00 153000.00 7410000.00 10100000.00 1440000.00 1490000.00 9990000.00 20:4 Cholesteryl ester_2 737000.00 850000.00 611000.00 587000.00 426000.00 14400.00 1160000.00 445000.00 739000.00 474000.00 611000.00 270000.00 643000.00 409000.00 20:5 Cholesteryl ester_1 141000.00 156000.00 146000.00 153000.00 133000.00 143000.00 167000.00 176000.00 73600.00 73200.00 124000.00 129000.00 68300.00 72800.00 130000.00 20:5 Cholesteryl ester_2 8960000.00 223000.00 14700000.00 316000.00 9040000.00 7250000.00 4540000.00 463000.00 117000.00 209000.00 702000.00 10400000.00 46000.00 101000.00 241000.00 22:1 Stigmasteryl ester 2340000.00 2780000.00 2930000.00 2800000.00 46100.00 73600.00 72300.00 2270000.00 1690000.00 48400.00 61200.00 1430000.00 1450000.00 54900.00 22:2 Stigmasteryl ester 316000.00 332000.00 318000.00 323000.00 307000.00 318000.00 335000.00 342000.00 149000.00 155000.00 274000.00 293000.00 148000.00 149000.00 301000.00 22:4 Cholesteryl ester_1 115000.00 108000.00 110000.00 113000.00 101000.00 108000.00 124000.00 123000.00 224000.00 148000.00 80100.00 96000.00 164000.00 263000.00 106000.00 22:4 Cholesteryl ester_2 3820000.00 88000.00 84400.00 90700.00 91400.00 4840000.00 108000.00 5480000.00 974000.00 1530000.00 3890000.00 83400.00 1700000.00 1850000.00 3940000.00 22:5 Cholesteryl ester 181000.00 179000.00 194000.00 192000.00 170000.00 180000.00 276000.00 282000.00 372000.00 392000.00 110000.00 146000.00 155000.00 576000.00 164000.00 22:6 Cholesteryl ester 5620000.00 5810000.00 5400000.00 5440000.00 5310000.00 5260000.00 9970000.00 10200000.00 94400.00 105000.00 3410000.00 4860000.00 128000.00 126000.00 4480000.00 22-deoxy-20,21-dihydroxyecdysone_1 1870000.00 1880000.00 2100000.00 2020000.00 1970000.00 1750000.00 3620000.00 3180000.00 1450000.00 1500000.00 1210000.00 1720000.00 2060000.00 1850000.00 1740000.00 2510000.00 22-deoxy-20,21-dihydroxyecdysone_2 97300000.00 98400000.00 110000000.00 106000000.00 102000000.00 228000.00 185000000.00 167000000.00 74700000.00 78800000.00 65700000.00 88300000.00 262000.00 95800000.00 92500000.00 132000000.00 24-hydroxy-10Z-tetracosenoic acid 1900000.00 2020000.00 71600.00 72700.00 59500.00 3890000.00 79100.00 65500.00 85600.00 85000.00 79600.00 2840000.00 66300.00 2450000.00 2410000.00 65200.00 25-hydroxy-16,17,23,23,24,24-hexadehydrovitamin D3 / 25-hydroxy-16,17,23,23,24,24-hexadehydrocholecalciferol 77000.00 78000.00 96300.00 94800.00 71000.00 70900.00 110000.00 96100.00 73300.00 68500.00 102000.00 52700.00 71300.00 69300.00 65400.00 3180000.00 26,26,26-trifluoro-25-hydroxy-27-norvitamin D3 / 26,26,26-trifluoro-25-hydroxy-27-norcholecalciferol_1 1980000.00 1920000.00 85000000.00 1970000.00 1970000.00 1830000.00 1940000.00 1960000.00 1830000.00 1750000.00 1890000.00 1660000.00 1980000.00 2030000.00 1830000.00 51400000.00 26,26,26-trifluoro-25-hydroxy-27-norvitamin D3 / 26,26,26-trifluoro-25-hydroxy-27-norcholecalciferol_2 2000000.00 1830000.00 26:2(5Z,9Z)(25Me) 1600000.00 1520000.00 1840000.00 1820000.00 30400.00 1750000.00 1650000.00 1470000.00 1520000.00 1780000.00 28000.00 1360000.00 2030000.00 1360000.00 1630000.00 1520000.00 27-nor-campestan-3beta,4beta,5alpha,6alpha,7beta,8beta,14alpha,15alpha,24-nonol 66200.00 3590000.00 3470000.00 3460000.00 63900.00 3210000.00 98700.00 74500.00 3700000.00 3390000.00 3750000.00 2600000.00 51300.00 4180000.00 3770000.00 2940000.00 2-decaprenyl-6-methoxy-1,4-benzoquinone 4080000.00 3870000.00 4150000.00 4080000.00 3270000.00 3450000.00 6370000.00 5320000.00 2230000.00 2270000.00 3360000.00 2460000.00 3480000.00 3580000.00 3540000.00 3930000.00 2-deoxy-20-hydroxy-5alpha-ecdysone 3-acetate 523000.00 510000.00 562000.00 546000.00 481000.00 497000.00 750000.00 619000.00 437000.00 447000.00 26600000.00 472000.00 640000.00 430000.00 427000.00 593000.00 2-Hydroxy-24-keto-octacosanolide 19200000.00 752000000.00 18800000.00 804000000.00 19100000.00 20100000.00 17800000.00 816000000.00 716000000.00 912000000.00 19600000.00 18900000.00 860000000.00 18600000.00 862000000.00 906000000.00 2-methyl-16-heptadecenoic acid_1 514000.00 652000.00 2610000.00 2440000.00 1970000.00 2150000.00 1860000.00 1500000.00 2680000.00 2380000.00 223000.00 559000.00 603000.00 3630000.00 3260000.00 637000.00 2-methyl-16-heptadecenoic acid_2 554000.00 498000.00 696000.00 673000.00 620000.00 576000.00 622000.00 602000.00 757000.00 620000.00 14200.00 399000.00 409000.00 774000.00 749000.00 502000.00 2-methyl-32,35-anhydrobacteriohopanetetrol_1 431000.00 468000.00 1740000.00 1790000.00 1120000.00 1140000.00 500000.00 461000.00 61600.00 63700.00 223000.00 360000.00 517000.00 110000.00 111000.00 270000.00 2-methyl-32,35-anhydrobacteriohopanetetrol_2 457000.00 567000.00 465000.00 155000.00 853000.00 2-methyl-hexadecanedioic acid_1 542000.00 639000.00 6370000.00 620000.00 539000.00 581000.00 515000.00 594000.00 550000.00 642000.00 571000.00 526000.00 591000.00 536000.00 646000.00 1000000.00 2-methyl-hexadecanedioic acid_2 822000.00 1470000.00 530000.00 1610000.00 1170000.00 247000.00 1930000.00 1400000.00 1340000.00 790000.00 751000.00 706000.00 681000.00 1250000.00 2840000.00 585000.00 2-methyl-tridecanedioic acid 1390000.00 1670000.00 1400000.00 1570000.00 1370000.00 1460000.00 1330000.00 1580000.00 1390000.00 1680000.00 1450000.00 1350000.00 1550000.00 1360000.00 1680000.00 1550000.00 3,12-dihydroxy palmitic acid_1 50500.00 51200.00 52400.00 53600.00 3110000.00 3030000.00 54700.00 56200.00 1920000.00 1940000.00 2460000.00 2200000.00 2930000.00 2550000.00 2630000.00 2820000.00 3,12-dihydroxy palmitic acid_2 54500.00 1990000.00 56000.00 53600.00 53200.00 56700.00 59500.00 55100.00 1900000.00 250000.00 2320000.00 2290000.00 1250000.00 2510000.00 2140000.00 2420000.00 3,12-dihydroxy palmitic acid_3 988000.00 1470000.00 320000.00 132000.00 245000.00 698000.00 615000.00 386000.00 307000.00 200000.00 83000.00 288000.00 50000.00 319000.00 118000.00 997000.00 3,5-Di-O-methyl-8-prenylafzelechin-4beta-ol_1 1040000.00 1100000.00 1150000.00 1180000.00 1070000.00 1070000.00 1220000.00 1120000.00 1050000.00 1080000.00 971000.00 894000.00 1090000.00 1010000.00 1030000.00 1030000.00 3,5-Di-O-methyl-8-prenylafzelechin-4beta-ol_2 1530000.00 1540000.00 1660000.00 1680000.00 1560000.00 1540000.00 1770000.00 1560000.00 1530000.00 1510000.00 1420000.00 1320000.00 1540000.00 1530000.00 1440000.00 1510000.00 3,6-dioxo-decanoic acid 8180000.00 9670000.00 9060000.00 6860000.00 6800000.00 6640000.00 11700000.00 144000.00 4010000.00 3410000.00 3290000.00 9820000.00 10100000.00 3810000.00 3800000.00 7290000.00 3,7,11,15-Tetramethyl-6,10,14-hexadecatrien-1-ol_1 67100.00 63600.00 2170000.00 36600.00 1950000.00 2220000.00 48600.00 61200.00 334000.00 298000.00 36500.00 1490000.00 1810000.00 1040000.00 1050000.00 25700.00 3,7,11,15-Tetramethyl-6,10,14-hexadecatrien-1-ol_2 41500.00 44600.00 2240000.00 36700.00 3040000.00 2940000.00 61500.00 54800.00 70400.00 74100.00 65100.00 2030000.00 2810000.00 58300.00 57800.00 52000.00 3,7,11,15-Tetramethyl-6,10,14-hexadecatrien-1-ol_3 1250000.00 1290000.00 1010000.00 975000.00 1410000.00 1130000.00 26700.00 1820000.00 33700.00 32000.00 28300.00 1060000.00 1450000.00 1850000.00 1770000.00 1650000.00 36:6(18Z,21Z,24Z,27Z,30Z,33Z) 52000.00 3beta-hydroxy-4beta-methyl-5alpha-cholest-7-ene-4alpha-carbaldehyde_1 183000.00 204000.00 148000.00 9070000.00 133000.00 139000.00 231000.00 232000.00 6450000.00 6190000.00 1820000.00 108000.00 7590000.00 166000.00 169000.00 188000.00 3beta-hydroxy-4beta-methyl-5alpha-cholest-7-ene-4alpha-carbaldehyde_2 346000.00 353000.00 503000.00 449000.00 441000.00 453000.00 227000.00 232000.00 387000.00 338000.00 537000.00 357000.00 480000.00 12600000.00 12400000.00 348000.00 3beta-hydroxy-4beta-methyl-5alpha-cholest-7-ene-4alpha-carbaldehyde_3 3120000.00 2700000.00 2110000.00 2550000.00 2580000.00 39000.00 1070000.00 878000.00 33300.00 2270000.00 2870000.00 59800.00 1400000.00 1090000.00 2010000.00 3beta-hydroxy-4beta-methyl-5alpha-cholest-7-ene-4alpha-carbaldehyde_4 5860000.00 4820000.00 5500000.00 4680000.00 7840000.00 7170000.00 183000.00 185000.00 2700000.00 2720000.00 163000.00 2140000.00 2920000.00 3380000.00 3970000.00 3880000.00 3beta-hydroxy-4beta-methyl-5alpha-cholest-7-ene-4alpha-carbaldehyde_5 3120000.00 2810000.00 2200000.00 2550000.00 2680000.00 2400000.00 1070000.00 878000.00 47800.00 2270000.00 54200.00 62300.00 32500.00 1090000.00 2010000.00 3beta-hydroxy-4beta-methyl-5alpha-cholest-7-ene-4alpha-carbaldehyde_6 2690000.00 2660000.00 2290000.00 2080000.00 2230000.00 1950000.00 4170000.00 3800000.00 2030000.00 2160000.00 5080000.00 6120000.00 7590000.00 3520000.00 3560000.00 9730000.00 3beta-hydroxy-4beta-methyl-5alpha-cholest-7-ene-4alpha-carbaldehyde_7 5860000.00 4820000.00 5500000.00 4680000.00 7840000.00 7170000.00 7570000.00 5840000.00 2700000.00 2720000.00 163000.00 2140000.00 158000.00 3380000.00 3970000.00 152000.00 3beta-hydroxy-4beta-methyl-5alpha-cholest-7-ene-4alpha-carboxylic acid_1 82400.00 82400.00 62300.00 38100.00 66900.00 43300.00 1880000.00 2630000.00 46100.00 55200.00 52600.00 54700.00 82900.00 1650000.00 49600.00 56100.00 3beta-hydroxy-4beta-methyl-5alpha-cholest-7-ene-4alpha-carboxylic acid_2 99800.00 96800.00 110000.00 107000.00 114000.00 114000.00 2850000.00 2920000.00 84200.00 85900.00 321000.00 96100.00 134000.00 2570000.00 62900.00 97300.00 3beta-hydroxy-4beta-methyl-5alpha-cholest-7-ene-4alpha-carboxylic acid_3 57100.00 60400.00 49600.00 42600.00 53100.00 53600.00 1760000.00 1830000.00 46500.00 39000.00 19600.00 62400.00 84100.00 2340000.00 2490000.00 48100.00 3beta-hydroxy-4beta-methyl-5alpha-cholest-7-ene-4alpha-carboxylic acid_4 75200.00 77400.00 69400.00 62100.00 65300.00 69400.00 1770000.00 1830000.00 65500.00 67900.00 19600.00 80400.00 98300.00 2380000.00 39300.00 60200.00 3beta-hydroxy-4beta-methyl-5alpha-cholest-7-ene-4alpha-carboxylic acid_5 158000.00 345000.00 310000.00 280000.00 387000.00 105000.00 330000.00 308000.00 613000.00 362000.00 22500.00 408000.00 26300.00 171000.00 132000.00 660000.00 3beta-Hydroxy-5alpha,6alpha-epoxy-9-oxo-9,10-seco-5-cholest-7-en-11-al 339000.00 649000.00 711000.00 580000.00 116000.00 133000.00 140000.00 739000.00 85900.00 75300.00 61000.00 640000.00 1400000.00 740000.00 1520000.00 965000.00 3-Dehydroteasterone 611000.00 644000.00 710000.00 722000.00 726000.00 742000.00 646000.00 668000.00 617000.00 664000.00 745000.00 610000.00 674000.00 631000.00 677000.00 664000.00 3-Deoxy-3-azido-25-hydroxyvitamin D3 179000.00 179000.00 17900.00 78600.00 34000.00 26500.00 414000.00 117000.00 141000.00 19700.00 145000.00 53000.00 59400.00 330000.00 258000.00 23500.00 3-Deoxyvitamin D3_1 326000.00 11500000.00 316000.00 9180000.00 5510000.00 326000.00 4720000.00 20200000.00 5710000.00 418000.00 4770000.00 3590000.00 7890000.00 438000.00 485000.00 294000.00 3-Deoxyvitamin D3_2 905000.00 951000.00 879000.00 896000.00 275000000.00 288000000.00 357000000.00 1820000.00 4280000.00 4040000.00 154000000.00 236000000.00 3710000.00 17200000.00 233000000.00 3-Deoxyvitamin D3_3 4860000.00 4940000.00 4740000.00 4950000.00 5470000.00 5650000.00 8180000.00 6990000.00 9990000.00 340000.00 3310000.00 4670000.00 3710000.00 484000.00 4590000.00 3-Deoxyvitamin D3_4 5080000.00 5220000.00 5400000.00 5600000.00 4900000.00 5120000.00 6200000.00 6190000.00 14100000.00 8100000.00 3040000.00 3960000.00 3710000.00 17200000.00 4100000.00 3-Deoxyvitamin D3_5 1520000.00 1470000.00 1380000.00 1350000.00 1250000.00 1270000.00 2020000.00 1970000.00 17000000.00 764000.00 1150000.00 1490000.00 7300000.00 16800000.00 1370000.00 3-Deoxyvitamin D3_6 5390000.00 2780000.00 321000.00 328000.00 309000.00 1610000.00 13000000.00 91200.00 396000.00 2530000.00 428000.00 12700000.00 3140000.00 3690000.00 3030000.00 4120000.00 3-Deoxyvitamin D3_7 10300000.00 2990000.00 1450000.00 11300000.00 23000000.00 10200000.00 13900000.00 4920000.00 305000.00 2970000.00 13900.00 12100000.00 4150000.00 475000.00 30300000.00 10300000.00 3-Deoxyvitamin D3_8 821000.00 835000.00 8330000.00 2880000.00 53200000.00 565000.00 13400000.00 2060000.00 747000.00 763000.00 56900.00 30000000.00 252000.00 772000.00 807000.00 1060000.00 3E,5E-tridecadienoic acid_1 105000.00 106000.00 120000.00 114000.00 109000.00 109000.00 250000.00 234000.00 74000.00 76100.00 214000.00 101000.00 121000.00 76000.00 65600.00 128000.00 3E,5E-tridecadienoic acid_2 431000.00 446000.00 425000.00 432000.00 489000.00 488000.00 993000.00 989000.00 192000.00 197000.00 628000.00 506000.00 718000.00 347000.00 343000.00 920000.00 3E,5E-tridecadienoic acid_3 354000.00 364000.00 389000.00 380000.00 445000.00 448000.00 817000.00 824000.00 183000.00 182000.00 549000.00 445000.00 589000.00 301000.00 294000.00 861000.00 3-O-(alpha-L-rhamnopyranosyl-(1-2)-alpha-L-rhamnopyranosyl)-3-hydroxydecanoic acid 7890000.00 128000.00 6540000.00 4820000.00 2690000.00 2860000.00 79900.00 66500.00 39200000.00 42700000.00 13800000.00 218000.00 214000.00 19400000.00 13100000.00 16500.00 3-oxoglycyrrhetinic acid 393000.00 14700000.00 432000.00 430000.00 461000.00 418000.00 432000.00 641000.00 386000.00 8730000.00 401000.00 351000.00 400000.00 404000.00 434000.00 348000.00 3Z,6Z,9Z,12Z,15Z-Tricosapentaene_1 46500.00 45300.00 53500.00 54800.00 3660000.00 3870000.00 82100.00 70900.00 3300000.00 42100.00 46400.00 2450000.00 3330000.00 3270000.00 3180000.00 3100000.00 3Z,6Z,9Z,12Z,15Z-Tricosapentaene_2 78000.00 76500.00 72700.00 74700.00 3660000.00 3870000.00 224000.00 175000.00 3310000.00 57900.00 64000.00 2450000.00 3330000.00 3270000.00 3180000.00 3100000.00 4,5-epoxy-17R-HDHA 392000.00 379000.00 339000.00 319000.00 266000.00 261000.00 259000.00 250000.00 140000.00 136000.00 252000.00 89600.00 119000.00 212000.00 208000.00 111000.00 4,8,12,15,18-eicosapentaenoic acid 771000.00 802000.00 135000.00 135000.00 121000.00 122000.00 156000.00 143000.00 162000.00 169000.00 639000.00 265000.00 134000.00 169000.00 167000.00 984000.00 4'-Hydroxy-7-methoxy-8-methylflavan 1640000.00 1740000.00 2070000.00 2030000.00 1730000.00 1760000.00 63500.00 2820000.00 1390000.00 1370000.00 1420000.00 1660000.00 2170000.00 1820000.00 1560000.00 2210000.00 4-O-alpha-Cadinylangolensin 916000.00 885000.00 957000.00 952000.00 794000.00 809000.00 1480000.00 1220000.00 647000.00 660000.00 832000.00 900000.00 1210000.00 744000.00 720000.00 1090000.00 5,14,15-trihydroxy-6,8,10,12-Eicosatetraenoic acid_1 27200.00 128000.00 347000.00 56600.00 147000.00 319000.00 46800.00 131000.00 101000.00 317000.00 41200.00 148000.00 91200.00 47800.00 570000.00 52500.00 5,14,15-trihydroxy-6,8,10,12-Eicosatetraenoic acid_2 95600.00 118000.00 35200.00 62600.00 114000.00 129000.00 324000.00 99900.00 1540000.00 1280000.00 49000.00 478000.00 897000.00 92500.00 445000.00 84100.00 5,14,15-trihydroxy-6,8,10,12-Eicosatetraenoic acid_3 53500.00 48900.00 48000.00 73400.00 42100.00 71400.00 56800.00 62800.00 59600.00 150000.00 350000.00 45900.00 84100.00 170000.00 321000.00 23600.00 5alpha,9alpha-epidioxy-cholest-7-en-3beta,6alpha-diol 1960000.00 1950000.00 2040000.00 2000000.00 1900000.00 1900000.00 1860000.00 1860000.00 1860000.00 1950000.00 1950000.00 1500000.00 1980000.00 1930000.00 2020000.00 1870000.00 5-Oxo-ETE-d7 45700.00 43700.00 46300.00 41600.00 40500.00 38600.00 67000.00 51700.00 42700.00 39500.00 49200.00 1160000.00 441000.00 45200.00 41400.00 38900.00 5S-HETE di-endoperoxide 79900.00 80000.00 87700.00 89600.00 136000.00 133000.00 185000.00 178000.00 1050000.00 1200000.00 139000.00 67600.00 102000.00 78300.00 73000.00 1600000.00 6alpha,7alpha-Dihydroxy-3-oxo-5beta-cholan-24-oic Acid 333000.00 294000.00 43300.00 113000.00 19800.00 79400.00 2650.00 52600.00 936000.00 109000.00 352000.00 49100.00 59700.00 558000.00 534000.00 11100.00 6Z-Tetradecene 453000.00 282000.00 545000.00 174000.00 299000.00 350000.00 361000.00 380000.00 385000.00 323000.00 38500.00 420000.00 304000.00 224000.00 139000.00 197000.00 8-methoxy-13-hydroxy-9,11-octadecadienoic acid 1600000.00 1330000.00 1030000.00 729000.00 764000.00 554000.00 1420000.00 1380000.00 42800.00 42900.00 1310000.00 713000.00 911000.00 51100.00 51700.00 885000.00 9,12,15-Octadecatrien-1-ol_1 2500000.00 2810000.00 2240000.00 2200000.00 40600.00 37500.00 50800.00 3270000.00 59300.00 64300.00 57300.00 1930000.00 2740000.00 3590000.00 49300.00 3480000.00 9,12,15-Octadecatrien-1-ol_2 444000.00 1080000.00 1290000.00 619000.00 429000.00 623000.00 1560000.00 1370000.00 116000.00 125000.00 113000.00 183000.00 77700.00 99800.00 99500.00 99100.00 9,12-hexadecadienoic acid_1 2010000.00 1940000.00 2030000.00 1950000.00 2160000.00 2170000.00 75200.00 72400.00 861000.00 827000.00 44800.00 2310000.00 51700.00 1530000.00 1620000.00 67900.00 9,12-hexadecadienoic acid_2 2010000.00 940000.00 1150000.00 1950000.00 1260000.00 1130000.00 39200.00 36900.00 404000.00 512000.00 26300.00 1280000.00 29700.00 797000.00 1440000.00 42200.00 9-deoxy-9-methylene-16,16-dimethyl -PGE2 1430000.00 1150000.00 960000.00 919000.00 730000.00 683000.00 2650000.00 1910000.00 2730000.00 2830000.00 1660000.00 834000.00 1140000.00 56800.00 54400.00 860000.00 9-deoxy-9-methylene-PGE2 6020.00 77200.00 119000.00 128000.00 208000.00 804000.00 60200.00 61500.00 106000.00 258000.00 83000.00 78000.00 771000.00 9-hexadecen-1-ol 2870000.00 50700.00 2550000.00 2440000.00 2210000.00 2210000.00 63200.00 59500.00 2090000.00 2120000.00 2280000.00 1560000.00 1760000.00 2680000.00 2770000.00 2150000.00 alantolactone 67400.00 66700.00 66600.00 66100.00 66100.00 61900.00 153000.00 137000.00 1320000.00 1380000.00 76100.00 60200.00 98200.00 29200.00 1650000.00 88400.00 Alatanin 2 72200.00 61400.00 67800.00 70500.00 59200.00 94000.00 75100.00 75200.00 2870000.00 2640000.00 60100.00 204000.00 75700.00 3280000.00 3350000.00 92600.00 all-trans-nonaprenyl diphosphate 26500.00 66900.00 180000.00 338000.00 345000.00 107000.00 93700.00 51000.00 84500.00 29800.00 40100.00 483000.00 163000.00 328000.00 584000.00 alpha,alpha'-Trehalose 6-mycolate_1 2150000.00 1990000.00 1900000.00 1890000.00 1700000.00 1730000.00 3350000.00 2900000.00 1330000.00 1310000.00 954000.00 1140000.00 1620000.00 1980000.00 1950000.00 1470000.00 alpha,alpha'-Trehalose 6-mycolate_2 970000.00 923000.00 864000.00 855000.00 732000.00 767000.00 1420000.00 1260000.00 596000.00 671000.00 475000.00 606000.00 819000.00 772000.00 771000.00 681000.00 alpha-tocopherol_1 280000.00 236000.00 273000.00 254000.00 274000.00 322000.00 562000.00 602000.00 122000.00 119000.00 368000.00 304000.00 453000.00 206000.00 186000.00 550000.00 alpha-tocopherol_2 208000.00 171000.00 212000.00 192000.00 205000.00 247000.00 396000.00 409000.00 89000.00 83100.00 268000.00 222000.00 322000.00 147000.00 124000.00 427000.00 alpha-tocopherol_3 22300.00 1390000.00 1280000.00 23500.00 912000.00 943000.00 785000.00 928000.00 526000.00 557000.00 48300.00 1200000.00 1460000.00 530000.00 540000.00 1290000.00 Ambrettolic acid_1 1620000.00 1550000.00 1650000.00 1520000.00 1820000.00 1890000.00 52400.00 53600.00 789000.00 733000.00 2110000.00 1750000.00 2530000.00 1190000.00 1250000.00 49400.00 Ambrettolic acid_2 1300000.00 1490000.00 1430000.00 1490000.00 1580000.00 1540000.00 45400.00 44100.00 776000.00 733000.00 2070000.00 1750000.00 2090000.00 1090000.00 1130000.00 49200.00 Anandamide (20:l, n-9) 146000.00 127000.00 90700.00 133000.00 30600.00 195000.00 1020000.00 100000.00 97900.00 72500.00 Antiarone J 47200.00 2540000.00 3000000.00 2610000.00 2460000.00 2220000.00 3240000.00 2260000.00 1110000.00 1070000.00 1160000.00 2710000.00 40900.00 1130000.00 1350000.00 3070000.00 Arachidic acid 497000.00 468000.00 1900000.00 1860000.00 921000.00 918000.00 2100000.00 2040000.00 89200.00 89400.00 480000.00 278000.00 364000.00 214000.00 190000.00 1100000.00 Archaetidylglycerol-(glycosyl)-myo-inositol_1 142000.00 139000.00 330000.00 384000.00 303000.00 294000.00 113000.00 109000.00 41000.00 102000.00 225000.00 302000.00 17500.00 268000.00 Archaetidylglycerol-(glycosyl)-myo-inositol_2 49100.00 45600.00 57000.00 20100000.00 65100.00 67200.00 54500.00 51800.00 17900.00 102000.00 10900000.00 14400000.00 17500.00 12800000.00 Archaetidylglycerol-(glycosyl)-myo-inositol_3 2320000.00 4490000.00 103000.00 4190000.00 4970000.00 2590000.00 65600.00 61400.00 442000.00 551000.00 55600.00 2030000.00 60300.00 492000.00 69300.00 Artobiloxanthone 103000.00 107000.00 457000.00 276000.00 202000.00 112000.00 75500.00 61900.00 175000.00 547000.00 33200.00 176000.00 348000.00 35100.00 35800.00 36000.00 Axillarenic acid_1 1490000000.00 1110000000.00 1250000000.00 1410000000.00 1120000000.00 1350000000.00 1110000000.00 26900000.00 1150000000.00 1270000000.00 1210000000.00 1190000000.00 1350000000.00 1180000000.00 1280000000.00 1290000000.00 Axillarenic acid_2 1840000000.00 1500000000.00 1630000000.00 1530000000.00 1480000000.00 1790000000.00 1460000000.00 1730000000.00 1500000000.00 1580000000.00 1380000000.00 1560000000.00 1760000000.00 23800000.00 1610000000.00 1720000000.00 Behenic acid 524000.00 541000.00 1510000.00 1510000.00 924000.00 977000.00 1760000.00 1770000.00 65500.00 64900.00 528000.00 208000.00 299000.00 228000.00 52900.00 1210000.00 Bisdehydro-beta-carotene/ Tetradehydro-beta-carotene 578000.00 234000.00 720000.00 1110000.00 761000.00 119000.00 522000.00 1120000.00 963000.00 1360000.00 1120000.00 618000.00 28500.00 843000.00 920000.00 1290000.00 bromovulone I 721000.00 794000.00 773000.00 754000.00 642000.00 651000.00 8260000.00 762000.00 257000.00 267000.00 5480000.00 9700000.00 760000.00 247000.00 11200000.00 702000.00 Brosimone H 75100.00 80800.00 2190000.00 1890000.00 705000.00 942000.00 32400.00 22600.00 920000.00 947000.00 789000.00 94800.00 135000.00 803000.00 767000.00 6050.00 Butyl 3'-O-butanoyl-4,6,4'-tri-O-(2-methylpropanoyl)-neohesperidoside 2590000.00 1430000.00 2600000.00 2280000.00 992000.00 2550000.00 703000.00 2240000.00 3000000.00 1080000.00 911000.00 1050000.00 44700.00 43700.00 722000.00 39700.00 CDP-DG(18:1(9Z)/18:1(9Z)) 82800.00 4720000.00 57500.00 51400.00 2680000.00 44900.00 5580000.00 86000.00 74300.00 4140000.00 42200.00 1410000.00 44100.00 90400.00 90300.00 1410000.00 Cer(d14:1(4E)/24:0(2OH)) 72000.00 74200.00 5330000.00 91100.00 89100.00 90500.00 110000.00 99200.00 89300.00 4850000.00 108000.00 79600.00 85400.00 73600.00 71000.00 107000.00 Cer(d14:1(4E)/26:0(2OH)) 161000.00 163000.00 187000.00 196000.00 183000.00 191000.00 244000.00 205000.00 195000.00 195000.00 229000.00 162000.00 174000.00 163000.00 168000.00 192000.00 Cer(d16:1/17:0) 81400.00 30700.00 664000.00 800000.00 2140000.00 1350000.00 1150000.00 Cer(d18:1/16:0) 1180000.00 987000.00 69000.00 63400.00 41900.00 47200.00 1420000.00 1370000.00 138000.00 137000.00 490000.00 491000.00 1510000.00 249000.00 245000.00 834000.00 Cer(d18:1/18:0)_1 999000.00 1130000.00 1230000.00 991000.00 725000.00 1660000.00 646000.00 968000.00 364000.00 1180000.00 28800.00 579000.00 1730000.00 1550000.00 1290000.00 1380000.00 Cer(d18:1/18:0)_2 30900.00 30600.00 746000.00 809000.00 512000.00 272000.00 83000.00 209000.00 798000.00 709000.00 73400.00 23100.00 126000.00 1120000.00 1750000.00 60700.00 Cer(d18:1/18:1(9Z)) 1260000.00 1540000.00 483000.00 46700.00 43600.00 Cer(d18:1/22:0) 1090000.00 1150000.00 1680000.00 1530000.00 1470000.00 1510000.00 1100000.00 1350000.00 1990000.00 2200000.00 95700.00 635000.00 1120000.00 3050000.00 2960000.00 917000.00 Cer(d18:1/23:0) 1340000.00 1500000.00 1500000.00 1300000.00 1670000.00 1410000.00 1440000.00 1420000.00 2480000.00 2350000.00 65000.00 1010000.00 1280000.00 3050000.00 2940000.00 1420000.00 Cer(d18:1/24:0) 59100.00 59000.00 69800.00 68000.00 69800.00 72500.00 60900.00 60000.00 81800.00 89200.00 171000.00 2230000.00 50800.00 115000.00 117000.00 56200.00 Cer(d18:2/16:0) 120000.00 133000.00 38900.00 20300.00 17500.00 53700.00 51600.00 194000.00 102000.00 104000.00 Cer(d18:2/18:1) 368000.00 297000.00 574000.00 475000.00 261000.00 Cer(d18:2/20:0) 725000.00 353000.00 771000.00 720000.00 453000.00 729000.00 1080000.00 751000.00 695000.00 709000.00 110000.00 1080000.00 1270000.00 1700000.00 1870000.00 51600.00 Cer(d18:2/22:0) 46300.00 311000.00 250000.00 188000.00 148000.00 18400.00 688000.00 580000.00 44300.00 24500.00 1200000.00 1230000.00 Ceriporic acid C_1 76700.00 70900.00 2690000.00 3780000.00 3660000.00 2930000.00 90700.00 73400.00 155000.00 151000.00 84200.00 51000.00 65900.00 189000.00 184000.00 5400000.00 Ceriporic acid C_2 242000.00 257000.00 257000.00 261000.00 248000.00 244000.00 245000.00 247000.00 269000.00 275000.00 262000.00 199000.00 280000.00 277000.00 269000.00 245000.00 CerP(d18:1/26:1(17Z)) 590000.00 543000.00 565000.00 557000.00 516000.00 536000.00 882000.00 722000.00 461000.00 469000.00 361000.00 266000.00 391000.00 571000.00 560000.00 502000.00 Cerulenin 317000.00 244000.00 1010000.00 918000.00 768000.00 778000.00 1460000.00 735000.00 535000.00 424000.00 764000.00 34300.00 514000.00 236000.00 107000.00 201000.00 Chamuvaritin 93600.00 98500.00 290000.00 274000.00 178000.00 188000.00 156000.00 151000.00 1300000.00 1440000.00 1750000.00 41900.00 50200.00 51400.00 56700.00 69000.00 cholacalcioic acid / 25,26,27-trinorvitamin D3 24-carboxylic acid / 25,26,27-trinorcholecalciferol 24-carboxylic acid 657000.00 696000.00 238000.00 76900.00 267000.00 225000.00 251000.00 110000.00 282000.00 298000.00 186000.00 642000.00 977000.00 211000.00 191000.00 266000.00 Cholestanyl glucoside 548000.00 1300000.00 30400.00 427000.00 544000.00 1070000.00 632000.00 608000.00 113000.00 849000.00 445000.00 215000.00 983000.00 32700.00 1060000.00 1100000.00 cholesterol sulfate 145000.00 123000.00 142000.00 126000.00 125000.00 146000.00 109000.00 119000.00 140000.00 144000.00 111000.00 156000.00 126000.00 138000.00 134000.00 138000.00 Cholic acid_1 88100.00 5520000.00 1980000.00 1750000.00 2130000.00 34500.00 36000.00 1690000.00 2210000.00 2240000.00 1440000.00 94600.00 127000.00 1690000.00 1490000.00 2260000.00 Cholic acid_2 21100.00 213000.00 72800.00 213000.00 201000.00 59100.00 68000.00 394000.00 94300.00 140000.00 132000.00 420000.00 20800.00 227000.00 28000.00 97200.00 Coenzyme Q4 1270000.00 1230000.00 1280000.00 1290000.00 1230000.00 1190000.00 1220000.00 1170000.00 1190000.00 1170000.00 1230000.00 1050000.00 1250000.00 1260000.00 1280000.00 1180000.00 Coenzyme Q8_1 639000.00 619000.00 574000.00 535000.00 455000.00 478000.00 823000.00 740000.00 344000.00 355000.00 332000.00 428000.00 592000.00 405000.00 396000.00 372000.00 Coenzyme Q8_2 88300.00 80100.00 4060000.00 82200.00 3520000.00 3270000.00 7610000.00 6390000.00 2900000.00 2330000.00 2600000.00 2810000.00 3330000.00 2860000.00 3870000.00 2590000.00 Coenzyme Q9 115000.00 112000.00 122000.00 6550000.00 7260000.00 130000.00 7070000.00 7700000.00 94300.00 97500.00 4760000.00 87000.00 6550000.00 5970000.00 6120000.00 97000.00 Cucurbitacin F 818000.00 895000.00 188000.00 122000.00 45500.00 28700.00 11700.00 37700.00 14600000.00 236000.00 188000.00 889000.00 788000.00 254000.00 224000.00 22400.00 Cucurbitacin H 8500000.00 121000.00 6290000.00 4960000.00 2450000.00 2480000.00 80000.00 92800.00 35800000.00 1800000.00 43200000.00 231000.00 197000.00 2180000.00 70400000.00 12300.00 Cyanidin 3-(6''-(E)-caffeylsambubioside) 58800.00 54600.00 67400.00 69100.00 61700.00 80000.00 54100.00 56800.00 2100000.00 2020000.00 47200.00 101000.00 54800.00 2600000.00 41700.00 68900.00 Cyanidin 3-(6''-caffeyl-6'''-ferulylsophoroside)-5-glucoside 1600000.00 1290000.00 1520000.00 1520000.00 1140000.00 2210000.00 1510000.00 1410000.00 1360000.00 1000000.00 1530000.00 90800.00 2030000.00 1340000.00 1430000.00 2020000.00 Cyanidin 3-(6''-sinapylsophoroside)-5-glucoside 1540000.00 975000.00 1390000.00 1360000.00 1150000.00 2520000.00 1570000.00 1310000.00 1250000.00 965000.00 1660000.00 115000.00 2070000.00 1470000.00 1290000.00 1960000.00 Cyanidin 3-galactoside-5-glucoside 743000.00 428000.00 554000.00 1420000.00 526000.00 131000.00 508000.00 1030000.00 536000.00 409000.00 731000.00 33900.00 77200.00 1220000.00 658000.00 271000.00 DAT(16:0/21:0(2Me[S],3OH[S],4Me[S],6Me[S])) 141000.00 132000.00 89500.00 83900.00 Delphinidin 3-glucoside-7,3'-di-(6-(E)-sinapoylglucoside) 1380000.00 971000.00 1200000.00 1240000.00 999000.00 1670000.00 1170000.00 1100000.00 1130000.00 1050000.00 1420000.00 64100.00 1480000.00 1140000.00 1190000.00 1820000.00 delta2-THA 487000.00 470000.00 163000.00 138000.00 137000.00 150000.00 175000.00 125000.00 223000.00 230000.00 134000.00 454000.00 648000.00 162000.00 141000.00 145000.00 DG(12:0/20:3(8Z,11Z,14Z)/0:0)[iso2] 68400.00 34300.00 48800.00 24800.00 61900.00 93000.00 22100.00 51900.00 755000.00 449000.00 46700.00 38300.00 25300.00 922000.00 894000.00 17800.00 DG(12:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/0:0)[iso2] 378000.00 476000.00 413000.00 475000.00 647000.00 1010000.00 295000.00 409000.00 270000.00 507000.00 546000.00 209000.00 540000.00 486000.00 517000.00 61000.00 DG(17:1(9Z)/17:1(9Z)/0:0) 3060000.00 3070000.00 80400.00 80400.00 80300.00 78000.00 52900.00 3030000.00 227000.00 230000.00 161000.00 2740000.00 4020000.00 254000.00 263000.00 4160000.00 DG(18:0/18:0/0:0)[rac] 86300.00 89200.00 89400.00 88200.00 86700.00 89100.00 84000.00 88700.00 95100.00 92100.00 90600.00 93700.00 93900.00 88000.00 101000.00 91100.00 DG(18:0/18:1(9Z)/0:0)[iso2]_1 3020000.00 3950000.00 3130000.00 122000.00 128000.00 131000.00 134000.00 128000.00 4770000.00 695000.00 145000.00 5470000.00 117000.00 3600000.00 2710000.00 114000.00 DG(18:0/18:1(9Z)/0:0)[iso2]_2 21000.00 29000.00 78700.00 245000.00 202000.00 24100.00 42100.00 1020000.00 19100.00 37600.00 44300.00 644000.00 20100.00 42900.00 DG(18:1(11E)/16:0/0:0)_1 35500.00 37700.00 35600.00 2260000.00 37500.00 40000.00 44000.00 40400.00 47100.00 49300.00 42600.00 1530000.00 35300.00 41500.00 40200.00 1520000.00 DG(18:1(11E)/16:0/0:0)_2 1300000.00 21400.00 35100.00 2210000.00 34300.00 35000.00 18900.00 20200.00 117000.00 119000.00 254000.00 362000.00 1020000.00 114000.00 116000.00 1740000.00 DG(18:1(9Z)/18:2(9Z,12Z)/0:0)[iso2] 118000.00 124000.00 141000.00 146000.00 155000.00 157000.00 119000.00 116000.00 64900.00 63300.00 409000.00 91200.00 135000.00 72700.00 69800.00 175000.00 DG(18:1(9Z)/20:0/0:0)[iso2] 205000.00 212000.00 228000.00 231000.00 269000.00 263000.00 234000.00 225000.00 251000.00 257000.00 256000.00 178000.00 208000.00 213000.00 210000.00 189000.00 DG(18:2(9Z,12Z)/18:2(9Z,12Z)/0:0)_1 77200.00 82000.00 123000.00 116000.00 120000.00 121000.00 88800.00 87800.00 2290000.00 2660000.00 580000.00 71500.00 107000.00 2830000.00 3030000.00 113000.00 DG(18:2(9Z,12Z)/18:2(9Z,12Z)/0:0)_2 1210000.00 1230000.00 2050000.00 2120000.00 2030000.00 1870000.00 1300000.00 1220000.00 119000.00 116000.00 162000.00 1100000.00 1570000.00 113000.00 109000.00 29600.00 DG(18:3(9Z,12Z,15Z)/20:0/0:0)[iso2] 114000.00 114000.00 109000.00 107000.00 117000.00 114000.00 119000.00 110000.00 118000.00 119000.00 115000.00 119000.00 112000.00 115000.00 119000.00 116000.00 DG(18:3(9Z,12Z,15Z)/20:3(8Z,11Z,14Z)/0:0)[iso2] 56800.00 58400.00 70600.00 66400.00 79100.00 76900.00 54800.00 51400.00 1740000.00 1880000.00 117000.00 53200.00 67800.00 1970000.00 2210000.00 87800.00 DG(18:3(9Z,12Z,15Z)/20:4(5Z,8Z,11Z,14Z)/0:0)[iso2] 1700000.00 1450000.00 41600.00 46300.00 43000.00 43400.00 1630000.00 1590000.00 825000.00 667000.00 30200.00 1620000.00 2000000.00 923000.00 967000.00 2280000.00 DG(19:0/20:0/0:0)[iso2] 3340000.00 3390000.00 3550000.00 3650000.00 3250000.00 3300000.00 4030000.00 4040000.00 539000.00 556000.00 2050000.00 2640000.00 574000.00 592000.00 2700000.00 DG(19:0/20:1(11Z)/0:0)[iso2] 2200000.00 982000.00 119000.00 2550000.00 997000.00 3410000.00 4910000.00 3260000.00 111000.00 321000.00 2210000.00 451000.00 45000.00 200000.00 1910000.00 DG(19:0/22:3(10Z,13Z,16Z)/0:0)[iso2] 29000.00 DG(20:0/20:1(11Z)/0:0)[iso2] 138000.00 138000.00 161000.00 182000.00 212000.00 216000.00 164000.00 139000.00 155000.00 155000.00 156000.00 115000.00 137000.00 148000.00 151000.00 116000.00 DG(20:1(11Z)/20:1(11Z)/0:0) 2070000.00 2310000.00 1190000.00 2140000.00 35900.00 2160000.00 2940000.00 2780000.00 26100.00 47900.00 1240000.00 1730000.00 85000.00 162000.00 1730000.00 DG(20:2(11Z,14Z)/21:0/0:0)[iso2] 18000000.00 581000.00 2020000.00 12200000.00 8340000.00 5520000.00 33500000.00 1340000.00 14300000.00 488000.00 18900000.00 883000.00 709000.00 13100000.00 2540000.00 DG(20:2(11Z,14Z)/22:0/0:0)[iso2] 130000.00 127000.00 129000.00 130000.00 134000.00 139000.00 104000.00 106000.00 345000.00 396000.00 103000.00 136000.00 381000.00 420000.00 128000.00 DG(20:5(5Z,8Z,11Z,14Z,17Z)/22:5(7Z,10Z,13Z,16Z,19Z)/0:0)[iso2] 6440000.00 5570000.00 449000.00 440000.00 265000.00 280000.00 8430000.00 7890000.00 6330000.00 141000.00 293000.00 3430000.00 5180000.00 11000000.00 8300000.00 3500000.00 DG(21:0/22:2(13Z,16Z)/0:0)[iso2] 53200.00 2780000.00 51400.00 2810000.00 50600.00 3030000.00 67100.00 54900.00 124000.00 136000.00 35800.00 2840000.00 81200.00 128000.00 48400.00 DG(21:0/22:3(10Z,13Z,16Z)/0:0)[iso2] 5280000.00 4610000.00 2100000.00 4260000.00 4530000.00 42800.00 6930000.00 7280000.00 769000.00 833000.00 3450000.00 31500.00 1020000.00 1210000.00 35900.00 DG(21:0/22:4(7Z,10Z,13Z,16Z)/0:0)[iso2] 2970000.00 3110000.00 2900000.00 2910000.00 2870000.00 2820000.00 5350000.00 5440000.00 51700.00 55300.00 1810000.00 2580000.00 72600.00 67500.00 2390000.00 DG(21:0/22:5(7Z,10Z,13Z,16Z,19Z)/0:0)[iso2] 60500.00 91400.00 54400.00 55600.00 59100.00 3190000.00 61700.00 75500.00 1430000.00 1180000.00 49700.00 44900.00 67400.00 52900.00 57000.00 71700.00 DG(22:1(13Z)/22:3(10Z,13Z,16Z)/0:0)[iso2] 38700.00 DG(22:3(10Z,13Z,16Z)/22:5(7Z,10Z,13Z,16Z,19Z)/0:0)[iso2] 4000000.00 4270000.00 3060000.00 3570000.00 2670000.00 3000000.00 222000.00 214000.00 31300.00 285000.00 2650000.00 4280000.00 3510000.00 DG(22:5(7Z,10Z,13Z,16Z,19Z)/22:5(7Z,10Z,13Z,16Z,19Z)/0:0) 4110000.00 4070000.00 8150000.00 8030000.00 6060000.00 6310000.00 5880000.00 5230000.00 7740000.00 7870000.00 10800000.00 2960000.00 3950000.00 8370000.00 8270000.00 3150000.00 DG(22:5(7Z,10Z,13Z,16Z,19Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/0:0)[iso2] 1020000.00 930000.00 2000000.00 1970000.00 1280000.00 1330000.00 819000.00 766000.00 1880000.00 1960000.00 2110000.00 499000.00 658000.00 2000000.00 2020000.00 466000.00 DG(22:6(4Z,7Z,10Z,13Z,16Z,19Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/0:0) 470000.00 468000.00 392000.00 381000.00 291000.00 305000.00 366000.00 309000.00 790000.00 815000.00 559000.00 155000.00 228000.00 907000.00 892000.00 146000.00 DGTA(18:1/22:4(10Z,13Z,16Z,19Z))_1 12300.00 731000.00 383000.00 713000.00 751000.00 505000.00 24700.00 17600.00 1020000.00 1030000.00 15200.00 561000.00 13900.00 18200.00 16000.00 944000.00 DGTA(18:1/22:4(10Z,13Z,16Z,19Z))_2 45600.00 48900.00 50700.00 50600.00 43600.00 47600.00 51700.00 59700.00 63300.00 68800.00 83100.00 41900.00 47900.00 94900.00 99300.00 53400.00 Dichotellate A 4090000.00 4150000.00 4320000.00 4270000.00 4010000.00 3920000.00 4090000.00 4030000.00 3940000.00 4020000.00 4150000.00 3020000.00 4180000.00 4070000.00 4190000.00 3890000.00 Digitoxigenin 84100.00 83400.00 88000.00 85400.00 82700.00 83600.00 80200.00 80600.00 94300.00 96900.00 93700.00 71000.00 94400.00 97900.00 94700.00 82500.00 Dihydromenaquinone-8 212000.00 232000.00 211000.00 211000.00 200000.00 208000.00 317000.00 333000.00 665000.00 675000.00 163000.00 195000.00 715000.00 924000.00 176000.00 Diketospirilloxanthin/ 2,2'-Diketospirilloxanthin 2250000.00 2010000.00 1940000.00 2000000.00 1740000.00 31000.00 1910000.00 34000.00 2190000.00 38400.00 38400.00 1420000.00 2090000.00 2200000.00 1890000.00 1760000.00 Docosanedioic acid_1 110000000.00 131000000.00 111000000.00 124000000.00 110000000.00 117000000.00 105000000.00 124000000.00 110000000.00 129000000.00 114000000.00 107000000.00 120000000.00 107000000.00 130000000.00 125000000.00 Docosanedioic acid_2 89700000.00 101000000.00 90600000.00 98600000.00 89200000.00 95300000.00 87600000.00 96200000.00 89300000.00 99200000.00 92100000.00 850000000.00 95100000.00 89100000.00 102000000.00 97300000.00 Docosanedioic acid_3 98300000.00 dolichyl-4-D-xylosyl phosphate 114000.00 104000.00 6330000.00 6100000.00 6360000.00 99800.00 166000.00 127000.00 109000.00 115000.00 101000.00 78400.00 86100.00 117000.00 114000.00 5640000.00 ecdysone palmitate 1950000.00 1820000.00 33300.00 1970000.00 1760000.00 29800.00 71100.00 54400.00 1590000.00 1610000.00 1350000.00 1100000.00 1790000.00 41200.00 36300.00 1320000.00 Epiafzelechin 3-O-beta-D-allopyranoside 1440000.00 1580000.00 74700.00 64500.00 2760000.00 2930000.00 2280000.00 2210000.00 379000.00 343000.00 486000.00 625000.00 796000.00 649000.00 788000.00 951000.00 Epimedokoreanoside I 58200.00 2250000.00 62000.00 52200.00 54300.00 63100.00 56400.00 60300.00 3060000.00 3160000.00 62400.00 60100.00 53000.00 53900.00 55100.00 59400.00 Epothilone B_1 140000.00 145000.00 8520000.00 7430000.00 145000.00 134000.00 8140000.00 8730000.00 8490000.00 9790000.00 7780000.00 107000.00 142000.00 9390000.00 151000.00 132000.00 Epothilone B_2 118000.00 130000.00 133000.00 133000.00 137000.00 132000.00 7930000.00 143000.00 144000.00 142000.00 131000.00 79300.00 80700.00 139000.00 142000.00 115000.00 Epothilone B_3 343000.00 384000.00 419000.00 320000.00 416000.00 394000.00 285000.00 299000.00 488000.00 527000.00 431000.00 261000.00 289000.00 463000.00 467000.00 324000.00 Epothilone B_4 1420000.00 1470000.00 1330000.00 1330000.00 1380000.00 1360000.00 1570000.00 1480000.00 1430000.00 1440000.00 1370000.00 1070000.00 1300000.00 1410000.00 1490000.00 1370000.00 Erucicoyl-EA 401000.00 353000.00 95900.00 10600.00 7010.00 63800.00 64900.00 41600.00 59700.00 98800.00 8450.00 528000.00 893000.00 58300.00 58300.00 2880000.00 Erythynone 1150000.00 1010000.00 630000.00 704000.00 842000.00 452000.00 338000.00 542000.00 7250000.00 5070000.00 4170000.00 1500000.00 3040000.00 130000.00 5480000.00 1130000.00 Formononetin 7-O-(6''-acetylglcoside) 49200.00 GlcCer(d14:1(4E)/24:1(15Z)(2OH)) 2900000.00 1970000.00 2510000.00 1610000.00 1990000.00 2110000.00 5330000.00 3880000.00 1450000.00 1520000.00 1250000.00 44400.00 3620000.00 2110000.00 1230000.00 1660000.00 GlcCer(d14:2(4E,6E)/20:0(2OH))_1 2200000.00 2030000.00 44600.00 45300.00 2030000.00 1930000.00 62200.00 2890000.00 1550000.00 1530000.00 1550000.00 1340000.00 2660000.00 1990000.00 1700000.00 1040000.00 GlcCer(d14:2(4E,6E)/20:0(2OH))_2 222000.00 110000.00 201000.00 161000.00 236000.00 187000.00 83100.00 6750.00 523000.00 161000.00 517000.00 113000.00 234000.00 217000.00 172000.00 60600.00 GlcCer(d15:2(4E,6E)/20:0(2OH)) 308000.00 292000.00 262000.00 245000.00 214000.00 229000.00 391000.00 346000.00 149000.00 159000.00 153000.00 197000.00 272000.00 176000.00 186000.00 171000.00 GlcCer(d15:2(4E,6E)/22:0(2OH)) 198000.00 185000.00 182000.00 175000.00 8340000.00 152000.00 345000.00 283000.00 131000.00 128000.00 126000.00 186000.00 268000.00 151000.00 148000.00 112000.00 GlcCer(d18:1/14:0) 1410000.00 1180000.00 2670000.00 2460000.00 2050000.00 2300000.00 2150000.00 2040000.00 55100.00 3130000.00 1970000.00 2380000.00 3070000.00 1930000.00 1520000.00 1880000.00 GlcCer(d18:1/16:0)_1 41200.00 2640000.00 1940000.00 2570000.00 2410000.00 1670000.00 106000.00 96800.00 1800000.00 1080000.00 1440000.00 45100.00 3250000.00 2190000.00 4190000.00 1940000.00 GlcCer(d18:1/16:0)_2 750000.00 674000.00 1450000.00 28900.00 1330000.00 1340000.00 1210000.00 1210000.00 35100.00 1860000.00 1110000.00 1170000.00 1880000.00 1160000.00 1220000.00 16600.00 GlcCer(d18:1/23:0) 34600000.00 6240000.00 45900000.00 15900000.00 17900000.00 3060000.00 1390000.00 51300000.00 26700000.00 30600000.00 917000.00 393000.00 14100000.00 28500000.00 974000.00 4910000.00 GlcCer(d18:1/24:1(15Z)) 854000.00 674000.00 1150000.00 1150000.00 777000.00 1940000.00 261000.00 430000.00 3140000.00 2790000.00 926000.00 586000.00 607000.00 70600.00 67100.00 773000.00 GlcCer(d18:1/26:0) 52300.00 54000.00 96600.00 100000.00 83000.00 92500.00 40000.00 2160000.00 52100.00 52000.00 1140000.00 52000.00 56500.00 70000.00 65300.00 61800.00 GlcNalpha1-6Ins-1-P-Cer(t18:0/26:0) 11100.00 Glycinoprenol-9 478000.00 634000.00 469000.00 508000.00 671000.00 652000.00 679000.00 541000.00 1050000.00 863000.00 26500.00 33000.00 590000.00 1300000.00 1210000.00 616000.00 Glycocholic Acid_1 144000.00 107000.00 99400.00 85200.00 123000.00 127000.00 142000.00 10100.00 156000.00 149000.00 72200.00 319000.00 594000.00 132000.00 114000.00 Glycocholic Acid_2 71500.00 44600.00 25700.00 11400.00 11000000.00 179000.00 4900000.00 170000.00 616000.00 162000.00 146000.00 Glycocholic Acid_3 2040000.00 2160000.00 2160000.00 1880000.00 1140000.00 2630000.00 1870000.00 1770000.00 1650000.00 35500.00 32900.00 962000.00 1110000.00 2050000.00 2020000.00 1880000.00 Heneicosanedioic acid_1 3650000.00 4290000.00 3500000.00 3730000.00 67000.00 66300.00 4820000.00 74200.00 5900000.00 95100.00 3330000.00 2800000.00 56900.00 76700.00 5130000.00 3000000.00 Heneicosanedioic acid_2 462000.00 498000.00 833000.00 509000.00 395000.00 1630000.00 455000.00 576000.00 266000.00 475000.00 619000.00 508000.00 462000.00 574000.00 410000.00 288000.00 Hexacosanedioic acid 1040000.00 701000.00 520000.00 506000.00 640000.00 529000.00 369000.00 9260000.00 1130000.00 3230000.00 1260000.00 449000.00 2290000.00 867000.00 4390000.00 3960000.00 Hydrocortisone caproate 1480000.00 1440000.00 37000.00 1440000.00 531000.00 1340000.00 1270000.00 1310000.00 869000.00 896000.00 1630000.00 349000.00 1280000.00 1430000.00 1760000.00 1190000.00 Hydroxyphthioceranic acid (C37)_1 1580000.00 1280000.00 941000.00 402000.00 993000.00 1770000.00 1840000.00 1920000.00 2880000.00 49000.00 51900.00 1950000.00 34100.00 2270000.00 2290000.00 43200.00 Hydroxyphthioceranic acid (C37)_2 241000.00 398000.00 344000.00 314000.00 546000.00 178000.00 663000.00 581000.00 810000.00 742000.00 694000.00 120000.00 151000.00 361000.00 666000.00 10200.00 Hydroxyphthioceranic acid (C39) 82300.00 73200.00 69500.00 67900.00 83000.00 90300.00 101000.00 105000.00 128000.00 122000.00 106000.00 63400.00 88600.00 111000.00 97300.00 105000.00 Hydroxyphthioceranic acid (C42) 268000.00 289000.00 218000.00 204000.00 312000.00 299000.00 300000.00 17700000.00 472000.00 534000.00 22400000.00 313000.00 13400000.00 390000.00 370000.00 6550000.00 Hydroxyphthioceranic acid (C46) 207000.00 3810000.00 156000.00 171000.00 214000.00 209000.00 282000.00 259000.00 7350000.00 7940000.00 5710000.00 4520000.00 742000.00 7100000.00 8020000.00 1540000.00 Isoamoritin 34500000.00 9140000.00 19300000.00 458000.00 401000.00 11900000.00 556000.00 495000.00 14700000.00 4600000.00 502000.00 10800000.00 9890000.00 495000.00 20600000.00 423000.00 Kazinol H 445000.00 445000.00 228000.00 217000.00 143000.00 2230000.00 727000.00 3160000.00 136000.00 161000.00 40300.00 20200.00 454000.00 92500.00 105000.00 699000.00 LacCer(d18:1/14:0)_1 491000.00 33800000.00 23100000.00 23900000.00 462000.00 17800000.00 778000.00 30400000.00 23100000.00 22800000.00 10600000.00 282000.00 19700000.00 26000000.00 397000.00 18900000.00 LacCer(d18:1/14:0)_2 261000.00 270000.00 273000.00 16300000.00 205000.00 13400000.00 349000.00 327000.00 8420000.00 9250000.00 6240000.00 8030000.00 178000.00 10400000.00 10700000.00 229000.00 Lamioside 43500.00 44200.00 128000.00 117000.00 90300.00 95200.00 69400.00 64000.00 1350000.00 1070000.00 1080000.00 1320000.00 1610000.00 2080000.00 2050000.00 1800000.00 L-Olivosyl-oleandolide 27500.00 301000.00 495000.00 25000.00 40200.00 96300.00 147000.00 260000000.00 288000000.00 276000000.00 36600.00 1380000.00 7150000.00 7130000.00 122000.00 Loroxanthin ester/ Loroxanthin dodecenoate 4870000.00 3460000.00 5240000.00 99900.00 71100.00 4140000.00 5740000.00 3650000.00 3150000.00 3440000.00 977000.00 1150000.00 3900000.00 3780000.00 3700000.00 2440000.00 makisterone B_1 31200000.00 31300000.00 580000.00 665000.00 563000.00 573000.00 1150000.00 837000.00 16500000.00 16400000.00 26700000.00 18400000.00 544000.00 27400000.00 475000.00 27900000.00 makisterone B_2 2780000.00 30200000.00 33700000.00 1870000.00 26700000.00 1670000.00 55300000.00 47600000.00 32100.00 14700000.00 1200000.00 17000000.00 3000000.00 25900000.00 2480000.00 26100000.00 Malonylmalvin 142000.00 141000.00 180000.00 186000.00 161000.00 204000.00 147000.00 141000.00 90900.00 87200.00 126000.00 271000.00 143000.00 108000.00 111000.00 176000.00 Megalomicin A 209000.00 223000.00 362000.00 378000.00 229000.00 241000.00 129000.00 124000.00 238000.00 240000.00 1120000.00 186000.00 486000.00 113000.00 99000.00 193000.00 Megalomicin C1_1 36400.00 32400.00 47000.00 2630000.00 2160000.00 35100.00 103000.00 72400.00 15400.00 835000.00 1430000.00 746000.00 1550000.00 2120000.00 30700.00 1710000.00 Megalomicin C1_2 17300000.00 164000.00 11300000.00 18300000.00 16000000.00 108000.00 13900000.00 19300000.00 117000.00 17200000.00 11900000.00 15800000.00 18900000.00 9410000.00 10100000.00 75200.00 Megalomicin C1_3 925000.00 81300.00 944000.00 488000.00 487000.00 384000.00 489000.00 213000.00 139000.00 14100.00 109000.00 37700.00 37700.00 65000.00 60000.00 68300.00 Megalomicin C1_4 17300000.00 17200000.00 11600000.00 19400000.00 16000000.00 17100000.00 13000000.00 19300000.00 6890000.00 17200000.00 11600000.00 16000000.00 18900000.00 9020000.00 10100000.00 335000.00 Menaquinone-9 2040000.00 1880000.00 1690000.00 1930000.00 2270000.00 2100000.00 3150000.00 2630000.00 57600.00 3410000.00 51500.00 1580000.00 2340000.00 54100.00 43500.00 2730000.00 methyl 8-[3,5-epidioxy-2-(3-hydroperoxy-1-pentenyl)-cyclopentyl]-octanoate 62200.00 3200000.00 96300.00 89900.00 75200.00 74900.00 76600.00 72100.00 58600.00 54900.00 72300.00 58800.00 81500.00 75900.00 64600.00 75300.00 methyl 9-butylperoxy-10,12-octadecadienoate_1 27400.00 859000.00 699000.00 550000.00 543000.00 608000.00 37800.00 1320000.00 45200.00 1300000.00 648000.00 713000.00 673000.00 1240000.00 39500.00 731000.00 methyl 9-butylperoxy-10,12-octadecadienoate_2 212000.00 200000.00 189000.00 190000.00 146000.00 153000.00 317000.00 256000.00 249000.00 261000.00 249000.00 140000.00 198000.00 380000.00 353000.00 149000.00 methyl-10-hydroperoxy-8E,12Z,15Z-octadecatrienoate 1080000.00 1140000.00 843000.00 798000.00 590000.00 656000.00 1600000.00 1440000.00 39400.00 45700.00 1670000.00 877000.00 1030000.00 44600.00 42500.00 770000.00 MGDG(18:2(9Z,12Z)/18:3(9Z,12Z,15Z))_1 2950000.00 392000.00 1580000.00 60200.00 968000.00 305000.00 1690000.00 2920000.00 2340000.00 654000.00 53600.00 2360000.00 1810000.00 2480000.00 2640000.00 1180000.00 MGDG(18:2(9Z,12Z)/18:3(9Z,12Z,15Z))_2 2010000.00 392000.00 1080000.00 1370000.00 1220000.00 1580000.00 3850000.00 54300.00 870000.00 280000.00 1500000.00 1630000.00 1680000.00 2700000.00 2480000.00 1180000.00 MGDG(18:3(9Z,12Z,15Z)/16:3(7Z,10Z,13Z)) 57800.00 3400000.00 2710000.00 2570000.00 38500.00 2140000.00 3870000.00 2790000.00 231000.00 233000.00 112000.00 34700.00 3050000.00 350000.00 356000.00 3120000.00 Minabeolide-2 66400.00 70500.00 3440000.00 3670000.00 3460000.00 3490000.00 3880000.00 4020000.00 63500.00 65200.00 61500.00 2400000.00 3560000.00 3360000.00 63800.00 3310000.00 MIPC(t18:0/16:0(2OH))_1 126000.00 130000.00 191000.00 174000.00 126000.00 119000.00 138000.00 105000.00 111000.00 112000.00 2460000.00 44000.00 84900.00 108000.00 127000.00 52500.00 MIPC(t18:0/16:0(2OH))_2 1560000.00 1520000.00 1160000.00 1190000.00 996000.00 1080000.00 1340000.00 1260000.00 1540000.00 1630000.00 1100000.00 663000.00 963000.00 1700000.00 1820000.00 616000.00 MIPC(t18:0/16:0(2OH))_3 149000.00 153000.00 169000.00 157000.00 137000.00 148000.00 146000.00 131000.00 162000.00 165000.00 153000.00 92400.00 119000.00 154000.00 145000.00 119000.00 N-(2'-(4-benzenesulfonamide)-ethyl) arachidonoyl amine_1 56400.00 62700.00 3360000.00 62900.00 60200.00 58500.00 67400.00 71400.00 72100.00 77100.00 73900.00 42100.00 45600.00 3790000.00 66600.00 55900.00 N-(2'-(4-benzenesulfonamide)-ethyl) arachidonoyl amine_2 819000.00 797000.00 745000.00 745000.00 730000.00 708000.00 1120000.00 960000.00 777000.00 768000.00 752000.00 532000.00 664000.00 807000.00 785000.00 707000.00 N-(2'-(4-benzenesulfonamide)-ethyl) arachidonoyl amine_3 234000.00 311000.00 199000.00 352000.00 382000.00 315000.00 52400.00 3030000.00 87400.00 88600.00 2280000.00 188000.00 294000.00 107000.00 6810000.00 86700.00 N-docosanoyl taurine 167000.00 823000.00 725000.00 736000.00 1130000.00 121000.00 62100.00 1430000.00 71500.00 1680000.00 1720000.00 531000.00 238000.00 101000.00 94100.00 485000.00 Neolinderachalcone 98700.00 111000.00 113000.00 113000.00 116000.00 118000.00 114000.00 127000.00 124000.00 126000.00 101000.00 68300.00 63800.00 116000.00 119000.00 109000.00 Neolinderatin_1 332000.00 288000.00 319000.00 316000.00 266000.00 281000.00 610000.00 486000.00 248000.00 255000.00 267000.00 240000.00 359000.00 194000.00 212000.00 380000.00 Neolinderatin_2 17500000.00 32400.00 16800000.00 16600000.00 14000000.00 15300000.00 32000000.00 26000000.00 12800000.00 13700000.00 14200000.00 13200000.00 19700000.00 18100.00 11200000.00 20100000.00 Neoraunone 1620000.00 1890000.00 39600.00 37000.00 1750000.00 1580000.00 2090000.00 1810000.00 522000.00 488000.00 527000.00 684000.00 1280000.00 256000.00 355000.00 1090000.00 NeuAcalpha2-3Galbeta-Cer(d18:1/16:0) 306000.00 249000.00 375000.00 368000.00 307000.00 324000.00 1580000.00 1120000.00 144000.00 8650000.00 6270000.00 279000.00 568000.00 261000.00 228000.00 575000.00 N-heptanoyl-homoserine lactone 1340000.00 1160000.00 1840000.00 2190000.00 1770000.00 1830000.00 31700000.00 515000.00 5930000.00 5870000.00 4160000.00 25700.00 32600.00 480000.00 27800000.00 395000.00 N-oleoyl tyrosine 154000.00 110000.00 140000.00 98100.00 130000.00 108000.00 97800.00 114000.00 171000.00 5190000.00 94700.00 506000.00 123000.00 120000.00 5590000.00 5360000.00 Norselic acid E 23800.00 24200.00 980000.00 911000.00 671000.00 743000.00 22800.00 1200000.00 66900.00 70700.00 51500.00 1260000.00 1620000.00 172000.00 123000.00 1610000.00 N-stearoyl glutamine_1 135000.00 130000.00 130000.00 129000.00 151000.00 140000.00 298000.00 284000.00 57000.00 57200.00 190000.00 154000.00 207000.00 108000.00 103000.00 265000.00 N-stearoyl glutamine_2 79100.00 76700.00 81500.00 86600.00 99700.00 91700.00 181000.00 172000.00 38100.00 33600.00 121000.00 97300.00 131000.00 69600.00 64400.00 181000.00 N-stearoyl taurine_1 95200.00 89300.00 92700.00 83400.00 111000.00 102000.00 225000.00 210000.00 2400000.00 1760000.00 134000.00 117000.00 151000.00 71400.00 63000.00 190000.00 N-stearoyl taurine_2 50000.00 51000.00 51500.00 4900000.00 61700.00 60800.00 126000.00 118000.00 1350000.00 1150000.00 80700.00 61600.00 85900.00 40800.00 36700.00 132000.00 O-butanoyl-carnitine 10700000.00 12100000.00 2480000.00 13900000.00 13800000.00 13300000.00 16100000.00 217000.00 5140000.00 5270000.00 4260000.00 8460000.00 8850000.00 8190000.00 8440000.00 9890000.00 OH-Demethylspheroidenone 2280000.00 3460000.00 2530000.00 104000.00 4130000.00 5090000.00 106000.00 1220000.00 4640000.00 2930000.00 6170000.00 77600.00 1830000.00 98200.00 5900000.00 3480000.00 Okanin 4-methyl ether 4'-O-(2''-O-caffeoyl-6''-O-acetylglucoside) 7260000.00 118000.00 148000.00 136000.00 8180000.00 9810000.00 7280000.00 7010000.00 4020000.00 3850000.00 109000.00 232000.00 6510000.00 93300.00 5290000.00 6410000.00 oleanolic acid 3-O-beta-D-glucosiduronic acid 719000.00 717000.00 710000.00 722000.00 708000.00 676000.00 842000.00 838000.00 734000.00 713000.00 714000.00 467000.00 660000.00 713000.00 759000.00 687000.00 Oxytetracycline 43800.00 29300.00 28500.00 85200.00 514000.00 44500.00 36800.00 35800.00 69600.00 26900.00 18000.00 36100.00 PA(13:0/18:2(9Z,12Z)) 300000.00 304000.00 957000.00 928000.00 613000.00 624000.00 388000.00 408000.00 228000.00 158000.00 468000.00 176000.00 230000.00 620000.00 635000.00 670000.00 PA(14:0/18:1(9Z)) 2110000.00 2080000.00 2520000.00 2450000.00 1820000.00 1990000.00 3590000.00 2990000.00 1430000.00 1450000.00 2130000.00 1480000.00 2130000.00 1950000.00 1850000.00 2220000.00 PA(14:1(9Z)/22:2(13Z,16Z)) 50700.00 2860000.00 4440000.00 73400.00 56900.00 3200000.00 3010000.00 2320000.00 291000.00 308000.00 204000.00 49400.00 77400.00 384000.00 375000.00 63300.00 PA(15:0/20:3(8Z,11Z,14Z)) 523000.00 482000.00 586000.00 30500000.00 20700000.00 444000.00 916000.00 799000.00 284000.00 289000.00 439000.00 299000.00 468000.00 456000.00 454000.00 496000.00 PA(16:0/22:1(11Z)) 3950000.00 3840000.00 7080000.00 6280000.00 4870000.00 4760000.00 4400000.00 4780000.00 7390000.00 9670000.00 197000.00 1410000.00 2540000.00 6370000.00 6570000.00 2400000.00 PA(16:0/22:2(13Z,16Z))_1 598000.00 572000.00 573000.00 556000.00 471000.00 488000.00 381000.00 325000.00 524000.00 541000.00 446000.00 165000.00 228000.00 505000.00 493000.00 314000.00 PA(16:0/22:2(13Z,16Z))_2 169000.00 324000.00 804000.00 633000.00 163000.00 296000.00 317000.00 247000.00 1630000.00 31300.00 1790000.00 294000.00 547000.00 1600000.00 29700.00 619000.00 PA(16:1(9Z)/22:2(13Z,16Z))_1 1000000.00 965000.00 785000.00 788000.00 754000.00 775000.00 564000.00 503000.00 850000.00 859000.00 655000.00 304000.00 424000.00 841000.00 820000.00 395000.00 PA(16:1(9Z)/22:2(13Z,16Z))_2 4160000.00 4210000.00 143000.00 7110000.00 93300.00 111000.00 3940000.00 3030000.00 234000.00 14100000.00 156000.00 4950000.00 148000.00 16300000.00 264000.00 129000.00 PA(16:1(9Z)/22:4(7Z,10Z,13Z,16Z)) 837000.00 327000.00 152000.00 736000.00 90900.00 10600000.00 171000.00 4940000.00 271000.00 115000.00 10200000.00 185000.00 602000.00 PA(17:0/22:2(13Z,16Z))_1 33400000.00 32900000.00 36100000.00 35500000.00 30300000.00 31800000.00 35200000.00 31400000.00 38000000.00 39100000.00 32300000.00 18300000.00 24500000.00 39600000.00 39800000.00 25500000.00 PA(17:0/22:2(13Z,16Z))_2 2490000.00 2270000.00 1930000.00 1910000.00 1920000.00 2010000.00 6860000.00 117000.00 75000.00 179000.00 1190000.00 2230000.00 2150000.00 PA(17:1(9Z)/22:2(13Z,16Z)) 104000000.00 103000000.00 101000000.00 102000000.00 93700000.00 94700000.00 99200000.00 92100000.00 101000000.00 104000000.00 84400000.00 65400000.00 81500000.00 114000000.00 118000000.00 68700000.00 PA(18:0/18:1(9Z))_1 1090000.00 1030000.00 1190000.00 1180000.00 870000.00 914000.00 1660000.00 1370000.00 693000.00 724000.00 982000.00 688000.00 1100000.00 1060000.00 1020000.00 1070000.00 PA(18:0/18:1(9Z))_2 96000.00 95300.00 148000.00 146000.00 96700.00 110000.00 96900.00 75100.00 123000.00 130000.00 155000.00 45900.00 61200.00 142000.00 151000.00 55700.00 PA(18:0/18:2(9Z,12Z)) 1290000.00 626000.00 445000.00 437000.00 113000.00 106000.00 111000.00 6320000.00 212000.00 102000.00 104000.00 776000.00 PA(18:0/20:4(5Z,8Z,11Z,14Z)) 255000.00 407000.00 1350000.00 1230000.00 683000.00 433000.00 298000.00 374000.00 98700.00 105000.00 1410000.00 344000.00 1200000.00 107000.00 103000.00 1920000.00 PA(18:0/22:2(13Z,16Z)) 744000.00 707000.00 740000.00 755000.00 682000.00 717000.00 747000.00 645000.00 539000.00 553000.00 441000.00 272000.00 376000.00 546000.00 543000.00 504000.00 PA(18:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z)) 1170000.00 1180000.00 1700000.00 1440000.00 499000.00 1090000.00 256000.00 469000.00 149000.00 129000.00 1100000.00 837000.00 409000.00 122000.00 5550000.00 2590000.00 PA(18:1(9Z)/0:0)_1 106000.00 101000.00 124000.00 115000.00 85000.00 72500.00 144000.00 113000.00 121000.00 126000.00 136000.00 81200.00 173000.00 134000.00 123000.00 115000.00 PA(18:1(9Z)/0:0)_2 115000.00 110000.00 237000.00 104000.00 212000.00 113000.00 174000.00 22400.00 194000.00 5130.00 385000.00 152000.00 222000.00 354000.00 160000.00 159000.00 PA(18:1(9Z)/22:2(13Z,16Z)) 4640000.00 4300000.00 4350000.00 4290000.00 3920000.00 3980000.00 4280000.00 3680000.00 3010000.00 3050000.00 2330000.00 1750000.00 2520000.00 3240000.00 3240000.00 2470000.00 PA(18:1(9Z)/22:4(7Z,10Z,13Z,16Z))_1 265000.00 244000.00 141000.00 127000.00 112000.00 122000.00 125000.00 96600.00 190000.00 202000.00 136000.00 42200.00 61500.00 216000.00 218000.00 53400.00 PA(18:1(9Z)/22:4(7Z,10Z,13Z,16Z))_2 14700000.00 13200000.00 7440000.00 11800.00 6560000.00 6900000.00 7020000.00 5780000.00 508000.00 11500000.00 7220000.00 2570000.00 3750000.00 13000000.00 13100000.00 3240000.00 PA(18:2(9Z,12Z)/22:2(13Z,16Z))_1 478000.00 459000.00 394000.00 398000.00 328000.00 340000.00 337000.00 321000.00 406000.00 419000.00 230000.00 153000.00 219000.00 376000.00 377000.00 231000.00 PA(18:2(9Z,12Z)/22:2(13Z,16Z))_2 3560000.00 5050000.00 2970000.00 2640000.00 93000.00 4930000.00 1490000.00 4800000.00 156000.00 158000.00 187000.00 114000.00 5980000.00 6310000.00 5740000.00 145000.00 PA(18:4(6Z,9Z,12Z,15Z)/0:0) 4040000.00 3100000.00 306000.00 5410000.00 331000.00 4890000.00 335000.00 315000.00 173000.00 173000.00 9630000.00 281000.00 8670000.00 181000.00 9400000.00 5180000.00 PA(19:0/22:2(13Z,16Z)) 7770000.00 7530000.00 10200000.00 10200000.00 8690000.00 9030000.00 12100000.00 10200000.00 6370000.00 6430000.00 5470000.00 4790000.00 6640000.00 7400000.00 7240000.00 7200000.00 PA(19:0/22:4(7Z,10Z,13Z,16Z)) 51300000.00 707000000.00 349000000.00 22200000.00 238000000.00 93500000.00 824000000.00 717000000.00 484000000.00 91700000.00 182000000.00 13800000.00 43300000.00 323000000.00 45200000.00 506000000.00 PA(19:1(9Z)/0:0) 207000.00 194000.00 220000.00 215000.00 199000.00 200000.00 397000.00 319000.00 104000.00 109000.00 105000.00 182000.00 253000.00 134000.00 123000.00 276000.00 PA(19:1(9Z)/22:4(7Z,10Z,13Z,16Z))_1 9630000.00 9530000.00 12000000.00 11700000.00 8970000.00 9560000.00 9020000.00 7900000.00 7920000.00 8130000.00 4050000.00 4480000.00 6470000.00 8680000.00 8900000.00 5500000.00 PA(19:1(9Z)/22:4(7Z,10Z,13Z,16Z))_2 43800000.00 42600000.00 32100000.00 32200000.00 28000000.00 28800000.00 37100000.00 33800000.00 43700000.00 45500000.00 30700000.00 20900000.00 27300000.00 54100000.00 54200000.00 19300000.00 PA(20:0/22:2(13Z,16Z)) 107000.00 103000.00 125000.00 120000.00 95500.00 110000.00 139000.00 117000.00 4400000.00 71200.00 3690000.00 2760000.00 4060000.00 4160000.00 3850000.00 4330000.00 PA(20:0/22:4(7Z,10Z,13Z,16Z))_1 17700000.00 17000000.00 21700000.00 359000.00 302000.00 13200000.00 397000.00 16000000.00 11700000.00 12000000.00 7980000.00 5840000.00 14300000.00 10400000.00 11700000.00 392000.00 PA(20:0/22:4(7Z,10Z,13Z,16Z))_2 15200000.00 15600000.00 16200000.00 14300000.00 151000.00 15000000.00 15600000.00 13900000.00 8650000.00 9190000.00 7640000.00 7930000.00 10700000.00 9660000.00 11600000.00 9670000.00 PA(20:1(11Z)/0:0)_1 317000.00 306000.00 288000.00 296000.00 310000.00 322000.00 459000.00 375000.00 125000.00 148000.00 134000.00 202000.00 262000.00 170000.00 170000.00 360000.00 PA(20:1(11Z)/0:0)_2 90500.00 80800.00 116000.00 117000.00 87300.00 90300.00 131000.00 107000.00 114000.00 116000.00 126000.00 73800.00 126000.00 115000.00 113000.00 97200.00 PA(20:1(11Z)/0:0)_3 724000.00 768000.00 14100.00 734000.00 654000.00 10400.00 1010000.00 77000.00 737000.00 667000.00 527000.00 540000.00 15000.00 14100.00 13700.00 849000.00 PA(20:1(11Z)/0:0)_4 938000.00 1160000.00 932000.00 1100000.00 1050000.00 14900.00 1160000.00 892000.00 1030000.00 706000.00 15500.00 664000.00 17300.00 15900.00 12600.00 737000.00 PA(20:1(11Z)/22:2(13Z,16Z)) 1930000.00 1830000.00 1700000.00 1720000.00 1450000.00 1540000.00 2130000.00 1820000.00 1120000.00 1160000.00 888000.00 811000.00 1190000.00 1090000.00 1100000.00 984000.00 PA(20:1(11Z)/22:4(7Z,10Z,13Z,16Z)) 1330000.00 1260000.00 49000000.00 44400000.00 47800000.00 729000.00 1090000.00 864000.00 894000.00 55200000.00 30900000.00 397000.00 32000000.00 1140000.00 1110000.00 27200000.00 PA(20:1(11Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)) 226000.00 219000.00 115000.00 109000.00 106000.00 115000.00 3700000.00 151000.00 160000.00 170000.00 108000.00 2160000.00 54500.00 220000.00 214000.00 49800.00 PA(20:2(11Z,14Z)/0:0) 67200.00 3740000.00 111000.00 86300.00 62600.00 66400.00 67100.00 3080000.00 49100.00 2980000.00 68000.00 2840000.00 84000.00 2520000.00 2510000.00 3620000.00 PA(20:2(11Z,14Z)/22:4(7Z,10Z,13Z,16Z)) 27500.00 28000.00 3590000.00 1170000.00 1820000.00 1810000.00 1950000.00 2690000.00 1580000.00 4650000.00 1080000.00 806000.00 1450000.00 4170000.00 4100000.00 1670000.00 PA(20:3(8Z,11Z,14Z)/0:0) 405000.00 393000.00 549000.00 543000.00 393000.00 414000.00 358000.00 280000.00 124000.00 144000.00 136000.00 335000.00 558000.00 126000.00 121000.00 275000.00 PA(20:3(8Z,11Z,14Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)) 186000.00 62000.00 793000.00 845000.00 506000.00 538000.00 692000.00 154000.00 1710000.00 34100.00 26400.00 20000.00 133000.00 1450000.00 1490000.00 125000.00 PA(20:4(5Z,8Z,11Z,14Z)/0:0) 55400.00 60200.00 161000.00 3040000.00 1710000.00 114000.00 90200.00 83800.00 1080000.00 1050000.00 910000.00 1570000.00 1300000.00 1880000.00 2220000.00 1940000.00 PA(20:5(5Z,8Z,11Z,14Z,17Z)/0:0) 56900.00 52600.00 56400.00 2810000.00 270000.00 80100.00 3710000.00 74600.00 PA(21:0/22:1(11Z)) 7950000.00 7550000.00 8270000.00 8070000.00 6530000.00 6670000.00 12400000.00 10400000.00 4320000.00 4550000.00 6720000.00 4950000.00 7000000.00 7150000.00 7100000.00 7640000.00 PA(21:0/22:4(7Z,10Z,13Z,16Z)) 6420000.00 6170000.00 6350000.00 6340000.00 5600000.00 5840000.00 9010000.00 7650000.00 4010000.00 4120000.00 3010000.00 3670000.00 5060000.00 4450000.00 4360000.00 5480000.00 PA(22:0/22:4(7Z,10Z,13Z,16Z)) 3190000.00 2950000.00 2550000.00 2430000.00 2160000.00 2040000.00 55100.00 3040000.00 1540000.00 1810000.00 1300000.00 22700.00 1770000.00 1470000.00 1870000.00 36800.00 PA(22:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z)) 94000.00 5290000.00 3650000.00 3210000.00 3000000.00 3340000.00 4600000.00 4100000.00 3000000.00 3170000.00 1470000.00 1420000.00 2790000.00 3480000.00 3520000.00 2690000.00 PA(22:1(11Z)/0:0) 14000000.00 13300000.00 14300000.00 14100000.00 11400000.00 11800000.00 24600000.00 20000000.00 8000000.00 8080000.00 11700000.00 8690000.00 12000000.00 12400000.00 11900000.00 12700000.00 PA(22:1(11Z)/22:4(7Z,10Z,13Z,16Z)) 437000.00 418000.00 279000.00 285000.00 242000.00 220000.00 383000.00 331000.00 289000.00 287000.00 180000.00 176000.00 241000.00 327000.00 331000.00 188000.00 PA(22:2(13Z,16Z)/0:0) 120000.00 114000.00 121000.00 119000.00 100000.00 109000.00 162000.00 132000.00 56400.00 62200.00 73200.00 72500.00 101000.00 57100.00 59400.00 128000.00 PA(22:2(13Z,16Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)) 4600000.00 4480000.00 2820000.00 41900.00 2120000.00 2210000.00 6160000.00 5840000.00 4070000.00 4030000.00 1890000.00 1430000.00 2380000.00 6620000.00 95000.00 1210000.00 PA(O-16:0/21:0) 648000.00 626000.00 716000.00 704000.00 621000.00 666000.00 1060000.00 916000.00 439000.00 450000.00 417000.00 433000.00 590000.00 577000.00 570000.00 559000.00 PA(O-16:0/22:4(7Z,10Z,13Z,16Z)) 2680000.00 2370000.00 56200.00 56900.00 2250000.00 2220000.00 63900.00 53200.00 1820000.00 2030000.00 1810000.00 1700000.00 2480000.00 1440000.00 1870000.00 1510000.00 PA(O-16:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z)) 200000.00 177000.00 280000.00 271000.00 204000.00 209000.00 247000.00 202000.00 141000.00 150000.00 234000.00 66500.00 111000.00 170000.00 179000.00 103000.00 PA(O-18:0/18:4(6Z,9Z,12Z,15Z)) 2440000.00 2230000.00 49100.00 47100.00 41400.00 44800.00 66300.00 51800.00 1250000.00 1290000.00 1420000.00 666000.00 1160000.00 1040000.00 1020000.00 969000.00 PA(O-18:0/19:1(9Z))_1 93800.00 89000.00 97400.00 94000.00 83000.00 85300.00 7220000.00 120000.00 46900.00 35300.00 1100000.00 54200.00 79000.00 71900.00 68600.00 71300.00 PA(O-18:0/19:1(9Z))_2 352000.00 334000.00 384000.00 399000.00 323000.00 346000.00 415000.00 359000.00 250000.00 264000.00 289000.00 198000.00 276000.00 301000.00 293000.00 198000.00 PA(O-18:0/19:1(9Z))_3 257000.00 31700.00 14900.00 17300.00 11300.00 521000.00 482000.00 269000.00 14800.00 18300.00 115000.00 13900.00 36300.00 PA(O-18:0/19:1(9Z))_4 11600.00 18900.00 8710.00 PA(O-18:0/20:3(8Z,11Z,14Z))_1 74500.00 76800.00 112000.00 93400.00 73800.00 77700.00 151000.00 119000.00 59500.00 68300.00 56700.00 61700.00 92700.00 69600.00 64200.00 49400.00 PA(O-18:0/20:3(8Z,11Z,14Z))_2 421000.00 367000.00 12900.00 12800.00 412000.00 8780.00 308000.00 208000.00 500000.00 349000.00 674000.00 250000.00 5240.00 303000.00 401000.00 122000.00 PA(O-18:0/20:5(5Z,8Z,11Z,14Z,17Z)) 663000.00 555000.00 619000.00 610000.00 618000.00 655000.00 613000.00 668000.00 668000.00 646000.00 652000.00 640000.00 742000.00 621000.00 546000.00 676000.00 PA(O-18:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z))_1 214000.00 245000.00 337000.00 326000.00 239000.00 206000.00 255000.00 266000.00 145000.00 149000.00 158000.00 95200.00 147000.00 9420000.00 157000.00 150000.00 PA(O-18:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z))_2 13000000.00 12500000.00 16300000.00 16200000.00 11400000.00 56700.00 15600000.00 12800000.00 8750000.00 9110000.00 84900.00 5770000.00 8840000.00 9420000.00 9550000.00 6690000.00 PA(O-20:0/16:0) 40500.00 39100.00 2400000.00 37900.00 1970000.00 38500.00 56300.00 49500.00 1920000.00 2040000.00 1330000.00 1670000.00 42500.00 48000.00 43100.00 1910000.00 PA(O-20:0/17:2(9Z,12Z)) 107000.00 103000.00 137000.00 139000.00 116000.00 116000.00 168000.00 147000.00 75300.00 73800.00 97800.00 55400.00 81800.00 108000.00 106000.00 68000.00 PA(O-20:0/20:5(5Z,8Z,11Z,14Z,17Z)) 126000.00 118000.00 140000.00 130000.00 105000.00 109000.00 149000.00 112000.00 102000.00 103000.00 78900.00 74600.00 114000.00 107000.00 103000.00 67800.00 PA(O-20:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z))_1 896000.00 26600000.00 881000.00 834000.00 824000.00 22900000.00 904000.00 44000000.00 943000.00 21900000.00 19600000.00 885000.00 941000.00 839000.00 33800000.00 30800000.00 PA(O-20:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z))_2 25800.00 1160000.00 30300.00 1230000.00 1190000.00 1120000.00 35900.00 1710000.00 684000.00 325000.00 810000.00 596000.00 696000.00 681000.00 343000.00 959000.00 PA(O-20:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z))_3 62400.00 3670000.00 88200.00 86200.00 60100.00 63500.00 66800.00 3420000.00 2000000.00 1560000.00 1500000.00 1170000.00 2210000.00 1890000.00 1900000.00 2380000.00 PA(P-16:0/12:0) 1430000.00 1330000.00 1440000.00 1660000.00 1320000.00 1410000.00 40500.00 1920000.00 1510000.00 1470000.00 1200000.00 962000.00 1350000.00 1740000.00 1710000.00 1190000.00 PA(P-16:0/13:0) 158000.00 149000.00 174000.00 169000.00 147000.00 147000.00 269000.00 217000.00 162000.00 164000.00 120000.00 113000.00 166000.00 199000.00 200000.00 143000.00 PA(P-18:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z)) 1020000.00 618000.00 1550000.00 1440000.00 1290000.00 318000.00 527000.00 395000.00 894000.00 472000.00 1810000.00 283000.00 871000.00 1010000.00 340000.00 503000.00 PA(P-20:0/19:1(9Z)) 984000.00 933000.00 925000.00 925000.00 795000.00 830000.00 1250000.00 1060000.00 604000.00 602000.00 562000.00 516000.00 717000.00 729000.00 716000.00 532000.00 PA(P-20:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z)) 181000.00 160000.00 207000.00 199000.00 149000.00 169000.00 278000.00 222000.00 156000.00 163000.00 134000.00 127000.00 211000.00 186000.00 185000.00 105000.00 PC(10:0/21:0) 68000.00 3250000.00 167000.00 155000.00 118000.00 120000.00 6450000.00 98200.00 149000.00 147000.00 213000.00 2270000.00 77800.00 8130000.00 158000.00 3100000.00 PC(10:0/23:0)_1 3330000.00 4000000.00 2550000.00 2820000.00 2540000.00 2740000.00 2460000.00 3590000.00 2350000.00 2680000.00 2470000.00 3460000.00 2770000.00 2300000.00 2950000.00 3710000.00 PC(10:0/23:0)_2 18900000.00 21900000.00 293000.00 289000.00 243000.00 331000.00 460000.00 356000.00 240000.00 14000000.00 373000.00 249000.00 18000000.00 261000.00 351000.00 18500000.00 PC(10:0/23:0)_3 38700000.00 14000000.00 8570000.00 42800000.00 8600000.00 896000.00 8750000.00 163000000.00 809000.00 34600000.00 794000.00 150000000.00 748000.00 28000000.00 967000.00 168000000.00 PC(13:0/20:3(8Z,11Z,14Z)) 4650000.00 4640000.00 2990000.00 44300.00 2130000.00 2340000.00 3850000.00 3480000.00 9690000.00 6570000.00 5110000.00 2130000.00 50000.00 10400000.00 250000.00 1690000.00 PC(13:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z)) 40700000.00 929000.00 35100000.00 12600000.00 21900000.00 24000000.00 17900000.00 564000.00 53100000.00 1490000.00 719000.00 5060000.00 428000.00 35700000.00 50800000.00 233000.00 PC(15:0/0:0) 262000.00 252000.00 287000.00 286000.00 271000.00 277000.00 487000.00 433000.00 199000.00 204000.00 174000.00 234000.00 324000.00 250000.00 242000.00 338000.00 PC(15:0/18:1(11Z)) 777000.00 761000.00 827000.00 831000.00 703000.00 730000.00 791000.00 724000.00 875000.00 915000.00 738000.00 424000.00 588000.00 915000.00 55000000.00 603000.00 PC(15:0/18:2(9Z,12Z)) 2450000.00 2490000.00 2400000.00 2450000.00 2240000.00 2270000.00 2410000.00 2180000.00 2390000.00 2510000.00 1990000.00 1580000.00 1910000.00 2710000.00 2790000.00 1640000.00 PC(15:1(9Z)/22:2(13Z,16Z)) 202000.00 210000.00 212000.00 203000.00 179000.00 195000.00 289000.00 257000.00 134000.00 123000.00 93900.00 120000.00 169000.00 140000.00 148000.00 179000.00 PC(16:0/18:2(10E,12Z)) 109000.00 95600.00 99900.00 88000.00 4560000.00 79900.00 88800.00 67600.00 66400.00 65000.00 2780000.00 1880000.00 49300.00 78000.00 64300.00 51500.00 PC(16:0/22:4(7Z,10Z,13Z,16Z)) 35200000.00 35500000.00 28200000.00 28300000.00 25500000.00 26700000.00 39900000.00 35000000.00 28300000.00 29700000.00 22300000.00 22200000.00 29600000.00 38000000.00 37800000.00 21700000.00 PC(16:1(9Z)/2:0) 67600.00 63200.00 224000.00 226000.00 172000.00 173000.00 118000.00 96300.00 1260000.00 2350000.00 2650000.00 93100.00 7710000.00 1500000.00 1510000.00 93100.00 PC(17:0/18:1(9Z)) 8150000.00 196000.00 10800000.00 11000000.00 10000000.00 809000.00 13700000.00 11200000.00 172000.00 6300000.00 139000.00 121000.00 171000.00 7210000.00 6330000.00 7580000.00 PC(17:0/20:4(5Z,8Z,11Z,14Z))_1 137000.00 178000.00 137000.00 7320000.00 139000.00 7950000.00 145000.00 137000.00 159000.00 146000.00 153000.00 128000.00 7800000.00 7540000.00 191000.00 130000.00 PC(17:0/20:4(5Z,8Z,11Z,14Z))_2 63700000.00 60700000.00 51400000.00 49900000.00 44800000.00 48700000.00 72400000.00 63100000.00 830000.00 52100000.00 686000.00 42800000.00 53300000.00 1120000.00 1130000.00 43500000.00 PC(17:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z)) 444000.00 424000.00 384000.00 386000.00 363000.00 376000.00 710000.00 619000.00 280000.00 276000.00 196000.00 238000.00 336000.00 426000.00 414000.00 304000.00 PC(17:1(10Z)/0:0) 62900.00 58600.00 65400.00 65100.00 56600.00 55700.00 88400.00 73500.00 3040000.00 3180000.00 59000.00 56800.00 77900.00 3100000.00 3130000.00 69800.00 PC(17:2(9Z,12Z)/0:0) 302000.00 293000.00 312000.00 314000.00 291000.00 297000.00 354000.00 297000.00 235000.00 229000.00 253000.00 311000.00 394000.00 250000.00 250000.00 284000.00 PC(18:0/18:0)_1 93700.00 5150000.00 106000.00 112000.00 113000.00 3720000.00 5210000.00 105000.00 5480000.00 119000.00 107000.00 4190000.00 107000.00 109000.00 122000.00 5770000.00 PC(18:0/18:0)_2 2480000.00 5220000.00 6420000.00 1670000.00 5170000.00 3720000.00 5210000.00 7630.00 282000.00 6930000.00 5810000.00 3910000.00 6460000.00 4600000.00 6230000.00 5680000.00 PC(18:0/20:2(11Z,14Z)) 1420000.00 1350000.00 1510000.00 1480000.00 1230000.00 1270000.00 1900000.00 1590000.00 899000.00 911000.00 704000.00 835000.00 1150000.00 889000.00 846000.00 1050000.00 PC(18:0/22:3(10Z,13Z,16Z))_1 2880000.00 3990000.00 71400.00 76400.00 2920000.00 60200.00 1680000.00 76400.00 2220000.00 2540000.00 973000.00 1850000.00 2530000.00 918000.00 2260000.00 2450000.00 PC(18:0/22:3(10Z,13Z,16Z))_2 346000.00 339000.00 713000.00 348000.00 459000.00 984000.00 95700.00 1730000.00 328000.00 895000.00 39300.00 813000.00 1230000.00 224000.00 1340000.00 1350000.00 PC(18:0/22:4(7Z,10Z,13Z,16Z))_1 425000.00 391000.00 383000.00 374000.00 319000.00 331000.00 644000.00 540000.00 237000.00 245000.00 244000.00 194000.00 266000.00 276000.00 274000.00 267000.00 PC(18:0/22:4(7Z,10Z,13Z,16Z))_2 152000.00 147000.00 127000.00 135000.00 103000.00 110000.00 147000.00 120000.00 106000.00 107000.00 7160000.00 4590000.00 120000.00 112000.00 105000.00 83700.00 PC(18:1(11Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)) 3300000.00 3160000.00 2370000.00 2330000.00 1920000.00 2030000.00 3730000.00 3330000.00 2330000.00 2380000.00 1040000.00 1430000.00 1980000.00 2700000.00 2690000.00 1990000.00 PC(18:2(2E,4E)/0:0) 39800000.00 38900000.00 39500000.00 40800000.00 37200000.00 38400000.00 46400000.00 39100000.00 30400000.00 31100000.00 33300000.00 39600000.00 51300000.00 33000000.00 32900000.00 37600000.00 PC(18:2(9Z,12E)/17:2(9Z,11E))_1 251000.00 246000.00 304000.00 303000.00 232000.00 243000.00 239000.00 201000.00 199000.00 196000.00 103000.00 120000.00 161000.00 215000.00 236000.00 144000.00 PC(18:2(9Z,12E)/17:2(9Z,11E))_2 7640000.00 2370000.00 4870000.00 1510000.00 161000.00 4400000.00 171000.00 5160000.00 3550000.00 3960000.00 6170000.00 3390000.00 2950000.00 153000.00 3310000.00 3700000.00 PC(18:2(9Z,12Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))_1 603000.00 604000.00 517000.00 510000.00 397000.00 415000.00 910000.00 789000.00 384000.00 380000.00 180000.00 235000.00 337000.00 453000.00 454000.00 348000.00 PC(18:2(9Z,12Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))_2 7220000.00 5820000.00 8300000.00 7100000.00 5020000.00 5490000.00 291000.00 4090000.00 4740000.00 5510000.00 151000.00 174000.00 6170000.00 5950000.00 3700000.00 4470000.00 PC(18:3(6Z,9Z,12Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)) 1130000.00 977000.00 437000.00 571000.00 474000.00 386000.00 24100.00 1230000.00 345000.00 753000.00 85700.00 128000.00 275000.00 282000.00 176000.00 165000.00 PC(18:3(9Z,12Z,15Z)/0:0) 586000.00 552000.00 546000.00 540000.00 480000.00 478000.00 712000.00 583000.00 548000.00 542000.00 601000.00 557000.00 767000.00 662000.00 623000.00 541000.00 PC(19:0/18:0) 226000.00 216000.00 237000.00 233000.00 180000.00 194000.00 360000.00 290000.00 126000.00 131000.00 184000.00 137000.00 200000.00 207000.00 205000.00 214000.00 PC(19:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z)) 79700.00 4060000.00 2560000.00 3190000.00 1630000.00 45100.00 6550000.00 5330000.00 1980000.00 1820000.00 819000.00 1420000.00 1880000.00 2750000.00 1920000.00 2230000.00 PC(19:3(10Z,13Z,16Z)/0:0) 1060000.00 1020000.00 903000.00 864000.00 875000.00 755000.00 1170000.00 909000.00 10300.00 689000.00 888000.00 16200.00 1270000.00 625000.00 558000.00 1100000.00 PC(20:1(11Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)) 117000.00 108000.00 84900.00 70100.00 66100.00 68300.00 146000.00 133000.00 68500.00 73200.00 1590000.00 70700.00 95600.00 72300.00 77000.00 81100.00 PC(20:2(11Z,14Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)) 95500.00 4340000.00 2870000.00 63600.00 2670000.00 2100000.00 116000.00 5040000.00 2780000.00 3090000.00 1070000.00 1950000.00 2040000.00 56000.00 54400.00 2740000.00 PC(20:3(8Z,11Z,14Z)/0:0) 2360000.00 2290000.00 1970000.00 1980000.00 1800000.00 1860000.00 123000000.00 2040000.00 1550000.00 1590000.00 1940000.00 2180000.00 3120000.00 1360000.00 1330000.00 2370000.00 PC(20:5(5Z,8Z,11Z,14Z,17Z)/0:0) 326000.00 309000.00 335000.00 327000.00 276000.00 277000.00 306000.00 250000.00 266000.00 251000.00 243000.00 463000.00 28700000.00 228000.00 221000.00 334000.00 PC(22:1(11Z)/0:0) 1670000.00 1720000.00 33700.00 34700.00 1380000.00 1750000.00 64000.00 48100.00 1220000.00 1270000.00 694000.00 927000.00 1520000.00 1400000.00 1540000.00 1290000.00 PC(22:1(11Z)/22:2(13Z,16Z)) 68700.00 4260000.00 580000.00 2200000.00 3920000.00 1910000.00 72300.00 4240000.00 1240000.00 1380000.00 3520000.00 64100.00 1440000.00 1420000.00 3410000.00 PC(22:4(7Z,10Z,13Z,16Z)/0:0) 8110000.00 7080000.00 104000.00 5890000.00 82000.00 5550000.00 121000.00 6050000.00 67000.00 75500.00 139000.00 109000.00 141000.00 66700.00 3730000.00 105000.00 PC(22:4(7Z,10Z,13Z,16Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)) 255000.00 405000.00 1750000.00 1270000.00 852000.00 1000000.00 121000.00 58500.00 1350000.00 832000.00 72600.00 699000.00 50800.00 437000.00 205000.00 540000.00 PC(22:6(4Z,7Z,10Z,13Z,16Z,19Z)/0:0) 9050000.00 8560000.00 6750000.00 6830000.00 6890000.00 6870000.00 593000000.00 10200000.00 6490000.00 5900000.00 9090000.00 11600000.00 14300000.00 8710000.00 8340000.00 9570000.00 PC(22:6(4Z,7Z,10Z,13Z,16Z,19Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)) 61900.00 3810000.00 109000.00 112000.00 69000.00 69100.00 39600.00 37700.00 69700.00 68300.00 226000.00 52400.00 144000.00 2030000.00 1700000.00 59300.00 PC(6:2(3E,5E)/14:2(11E,13E)) 76700.00 107000.00 1640000.00 1690000.00 1370000.00 961000.00 1680000.00 1350000.00 884000.00 846000.00 959000.00 1070000.00 1990000.00 49300.00 44400.00 1760000.00 PC(O-1:0/16:0)_1 16600.00 898000.00 20100.00 20700.00 20300.00 18200.00 47600.00 40400.00 12600.00 14400.00 8360.00 14400.00 21500.00 17600.00 18300.00 26900.00 PC(O-1:0/16:0)_2 156000.00 146000.00 193000.00 190000.00 175000.00 184000.00 386000.00 333000.00 141000.00 139000.00 129000.00 138000.00 197000.00 187000.00 181000.00 212000.00 PC(O-14:0/2:0) 39900000.00 38600000.00 43400000.00 43400000.00 41000000.00 41300000.00 73900000.00 65000000.00 30400000.00 31000000.00 26600000.00 35900000.00 48900000.00 37900000.00 36700000.00 51600000.00 PC(O-16:0/15:1(9Z)) 23200.00 22900.00 1890000.00 32300.00 25200.00 28800.00 41300.00 32000.00 14900.00 16900.00 14200.00 11900.00 19500.00 19500.00 1220000.00 21500.00 PC(O-16:0/18:3(6Z,9Z,12Z)) 21400000.00 19200000.00 18600000.00 13700000.00 18400000.00 341000.00 33200000.00 514000.00 5110000.00 8610000.00 11000000.00 6480000.00 201000.00 9170000.00 8960000.00 216000.00 PC(O-16:0/2:0)_1 2320000.00 2220000.00 2690000.00 2640000.00 2560000.00 2640000.00 6240000.00 5130000.00 1960000.00 2020000.00 1290000.00 1990000.00 2970000.00 2530000.00 2520000.00 3610000.00 PC(O-16:0/2:0)_2 20500000.00 19600000.00 26100000.00 25600000.00 23700000.00 24400000.00 52200000.00 43900000.00 19000000.00 18900000.00 17200000.00 18800000.00 25800000.00 25200000.00 24200000.00 28800000.00 PC(O-16:0/2:0)_3 6280.00 426000.00 357000.00 5220.00 150000.00 286000.00 826000.00 9390.00 215000.00 268000.00 231000.00 302000.00 449000.00 242000.00 289000.00 7690.00 PC(O-16:0/2:0)_4 104000.00 105000.00 119000.00 114000.00 93300.00 93900.00 191000.00 158000.00 61700.00 62100.00 90100.00 66700.00 90300.00 92300.00 93200.00 100000.00 PC(O-16:0/20:2(11Z,14Z)) 433000.00 420000.00 409000.00 410000.00 333000.00 336000.00 791000.00 653000.00 274000.00 281000.00 269000.00 426000.00 589000.00 340000.00 334000.00 246000.00 PC(O-16:0/20:5(5Z,8Z,11Z,14Z,17Z)) 857000.00 46900000.00 48300000.00 45300000.00 37600000.00 39800000.00 986000.00 824000.00 528000.00 31300000.00 30200000.00 24700000.00 556000.00 653000.00 640000.00 27200000.00 PC(O-16:0/22:2(13Z,16Z)) 171000.00 176000.00 179000.00 178000.00 140000.00 150000.00 297000.00 256000.00 103000.00 100000.00 94900.00 128000.00 182000.00 120000.00 126000.00 6170000.00 PC(O-16:0/22:5(7Z,10Z,13Z,16Z,19Z)) 61400000.00 56600000.00 57000000.00 1050000.00 47800000.00 923000.00 893000.00 41600000.00 35600000.00 34600000.00 28100000.00 27100000.00 39500000.00 39900000.00 678000.00 558000.00 PC(O-16:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z)) 21700000.00 22400000.00 20300000.00 20200000.00 18000000.00 17900000.00 444000.00 24700000.00 13100000.00 12600000.00 12700000.00 222000.00 17100000.00 15900000.00 15200000.00 13300000.00 PC(O-16:0/3:0)_1 1100000.00 1010000.00 824000.00 812000.00 664000.00 696000.00 1720000.00 1390000.00 698000.00 721000.00 608000.00 759000.00 1110000.00 1020000.00 1020000.00 1150000.00 PC(O-16:0/3:0)_2 13600000.00 13100000.00 14700000.00 14300000.00 11600000.00 11800000.00 23700000.00 19700000.00 7810000.00 7950000.00 11700000.00 8300000.00 11800000.00 12100000.00 11900000.00 12600000.00 PC(O-16:0/3:1(2E)) 2520000.00 2350000.00 2790000.00 2700000.00 2350000.00 2840000.00 101000.00 78300.00 1850000.00 1850000.00 1800000.00 1810000.00 2640000.00 1860000.00 1790000.00 3330000.00 PC(O-16:0/4:0)_1 217000.00 200000.00 254000.00 253000.00 223000.00 223000.00 418000.00 380000.00 187000.00 181000.00 129000.00 146000.00 223000.00 204000.00 164000.00 232000.00 PC(O-16:0/4:0)_2 11300000.00 10800000.00 13300000.00 13600000.00 11800000.00 11700000.00 61100.00 20000000.00 9600000.00 9390000.00 20000.00 23300.00 36300.00 10300000.00 26000.00 13800000.00 PC(O-16:0/4:0)_3 101000.00 41400.00 144000.00 188000.00 267000.00 81900.00 625000.00 97300.00 445000.00 390000.00 9260.00 180000.00 146000.00 289000.00 363000.00 403000.00 PC(O-16:0/5:0) 472000.00 81600.00 378000.00 853000.00 462000.00 227000.00 54700.00 568000.00 438000.00 176000.00 1270000.00 391000.00 113000.00 1450000.00 71600.00 PC(O-16:0/6:0) 1340000.00 101000.00 111000.00 3120000.00 2900000.00 2360000.00 6070000.00 143000.00 90700.00 91000.00 663000.00 1280000.00 1210000.00 1540000.00 114000.00 94600.00 PC(O-16:0/O-2:0) 67400.00 67900.00 401000.00 2530000.00 2760000.00 76300.00 4810000.00 7560000.00 251000.00 3450000.00 2260000.00 1780000.00 119000.00 1280000.00 880000.00 85600.00 PC(O-16:1(11Z)/0:0) 53400.00 3280000.00 69700.00 71300.00 66000.00 67500.00 155000.00 132000.00 2930000.00 2880000.00 53100.00 2670000.00 62700.00 57300.00 3490000.00 102000.00 PC(O-16:1(11Z)/2:0) 9610000.00 9370000.00 10300000.00 10000000.00 8780000.00 8990000.00 13900000.00 11500000.00 7960000.00 8150000.00 9170000.00 8600000.00 11700000.00 8030000.00 7850000.00 10900000.00 PC(O-18:0/20:4(5E,8E,11E,14E))_1 253000.00 235000.00 226000.00 23300000.00 192000.00 206000.00 30900000.00 246000.00 131000.00 136000.00 103000.00 19400000.00 154000.00 143000.00 137000.00 120000.00 PC(O-18:0/20:4(5E,8E,11E,14E))_2 515000.00 502000.00 410000.00 660000.00 373000.00 395000.00 854000.00 496000.00 285000.00 298000.00 237000.00 448000.00 474000.00 329000.00 357000.00 257000.00 PC(O-18:0/22:4(7Z,10Z,13Z,16Z))_1 258000.00 241000.00 249000.00 187000.00 159000.00 173000.00 255000.00 223000.00 150000.00 161000.00 124000.00 145000.00 199000.00 197000.00 155000.00 120000.00 PC(O-18:0/22:4(7Z,10Z,13Z,16Z))_2 11000000.00 1880000.00 11600000.00 11400000.00 41400.00 2420000.00 2880000.00 3760000.00 1600000.00 1450000.00 1330000.00 1500000.00 2180000.00 1520000.00 9340000.00 1660000.00 PC(O-18:0/22:4(7Z,10Z,13Z,16Z))_3 15100000.00 1960000.00 11400000.00 11500000.00 2470000.00 2570000.00 150000.00 4100000.00 1940000.00 1450000.00 1330000.00 1500000.00 2180000.00 1520000.00 9410000.00 1590000.00 PC(O-18:0/22:5(4Z,7Z,10Z,13Z,16Z))_1 7810000.00 7350000.00 126000.00 6910000.00 102000.00 6150000.00 7530000.00 7050000.00 4240000.00 4200000.00 3590000.00 3490000.00 5330000.00 4970000.00 4300000.00 3910000.00 PC(O-18:0/22:5(4Z,7Z,10Z,13Z,16Z))_2 2720000.00 3170000.00 3890000.00 3480000.00 2980000.00 2980000.00 4320000.00 4270000.00 36000.00 2340000.00 1490000.00 1660000.00 2300000.00 2600000.00 2730000.00 2510000.00 PC(O-18:0/22:5(4Z,7Z,10Z,13Z,16Z))_3 119000.00 1190000.00 110000.00 3420000.00 622000.00 1000000.00 756000.00 811000.00 399000.00 486000.00 395000.00 186000.00 362000.00 539000.00 326000.00 14700.00 PC(O-18:0/O-2:0) 2300000.00 2120000.00 51900.00 49900.00 42900.00 43000.00 117000.00 95100.00 2190000.00 2070000.00 1260000.00 41900.00 60800.00 43800.00 40700.00 46900.00 PC(O-18:1(10E)/2:0)_1 15000.00 15400.00 1090000.00 1010000.00 14100.00 14600.00 2240000.00 31400.00 18000.00 1220000.00 11500.00 20400.00 1760000.00 1090000.00 984000.00 29200.00 PC(O-18:1(10E)/2:0)_2 212000.00 196000.00 247000.00 251000.00 199000.00 210000.00 542000.00 445000.00 199000.00 204000.00 160000.00 236000.00 340000.00 195000.00 187000.00 326000.00 PC(O-18:1(11Z)/0:0)_1 128000.00 121000.00 192000.00 183000.00 183000.00 186000.00 352000.00 282000.00 71900.00 74600.00 3330000.00 88900.00 125000.00 79100.00 74800.00 200000.00 PC(O-18:1(11Z)/0:0)_2 9090.00 568000.00 12700.00 13200.00 10800.00 11100.00 35900.00 27100.00 602000.00 11600.00 727000.00 9810.00 14400.00 15400.00 879000.00 19600.00 PC(O-20:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z))_1 111000.00 106000.00 102000.00 98100.00 71000.00 83700.00 200000.00 175000.00 87000.00 90500.00 4130000.00 101000.00 140000.00 107000.00 109000.00 3960000.00 PC(O-20:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z))_2 1400000.00 26400.00 25700.00 27600.00 898000.00 550000.00 1780000.00 1250000.00 15200.00 16000.00 756000.00 9850.00 15700.00 18900.00 18000.00 682000.00 PC(O-20:0/O-20:0) 186000.00 203000.00 249000.00 247000.00 256000.00 261000.00 130000.00 137000.00 100000.00 101000.00 3600000.00 176000.00 220000.00 88800.00 93500.00 237000.00 PC(O-8:0/O-8:0) 5040000.00 4560000.00 1940000.00 253000.00 2900000.00 2680000.00 3080000.00 417000.00 827000.00 144000.00 1090000.00 1850000.00 2270000.00 3920000.00 3940000.00 2910000.00 PC(P-16:0/14:1(9Z)) 1610000.00 1670000.00 2090000.00 2320000.00 1870000.00 1950000.00 49700.00 2730000.00 2080000.00 43000.00 1760000.00 1440000.00 1860000.00 60800.00 63300.00 1640000.00 PC(P-16:0/15:1(9Z)) 3970000.00 64600.00 79300.00 80700.00 67300.00 72200.00 156000.00 120000.00 61100.00 57300.00 58500.00 52100.00 68300.00 79900.00 77900.00 49400.00 PC(P-18:0/17:2(9Z,12Z)) 3060000.00 4010000.00 2490000.00 2910000.00 3070000.00 3130000.00 3860000.00 85100.00 119000.00 116000.00 109000.00 3380000.00 4530000.00 95300.00 96700.00 94100.00 PC(P-18:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z)) 7110000.00 7280000.00 6560000.00 5410000.00 5450000.00 97700.00 238000.00 9610000.00 5900000.00 5820000.00 5120000.00 7510000.00 9560000.00 8310000.00 6260000.00 5680000.00 PC(P-20:0/17:2(9Z,12Z)) 71300.00 3480000.00 3210000.00 3320000.00 72800.00 71300.00 112000.00 86000.00 109000.00 112000.00 101000.00 48000.00 4130000.00 95400.00 93300.00 89800.00 PC(P-20:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z)) 88900.00 89900.00 90800.00 93300.00 70700.00 76100.00 148000.00 114000.00 62900.00 57400.00 3030000.00 69100.00 88300.00 83400.00 75400.00 68600.00 PE(20:3(8Z,11Z,14Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)) 3100000.00 3460000.00 2350000.00 2240000.00 1880000.00 1950000.00 3950000.00 3690000.00 50200.00 48700.00 1700000.00 1350000.00 1860000.00 3620000.00 65100.00 1430000.00 PE(20:4(5Z,8Z,11Z,14Z)/0:0) 457000.00 455000.00 504000.00 25700000.00 22300000.00 380000.00 354000.00 18600000.00 13300000.00 231000.00 11900000.00 304000.00 474000.00 9560000.00 8680000.00 13400000.00 PE(22:4(7Z,10Z,13Z,16Z)/0:0) 7670000.00 122000.00 99700.00 5940000.00 92000.00 90200.00 116000.00 5420000.00 135000.00 138000.00 133000.00 9010000.00 188000.00 143000.00 8330000.00 102000.00 PE(22:6(4Z,7Z,10Z,13Z,16Z,19Z)/0:0) 436000.00 435000.00 343000.00 332000.00 263000.00 290000.00 425000.00 320000.00 105000.00 99800.00 144000.00 286000.00 484000.00 94300.00 101000.00 227000.00 PE(O-16:0/18:3(9Z,12Z,15Z)) 1020000.00 914000.00 961000.00 937000.00 934000.00 867000.00 34200.00 1500000.00 676000.00 677000.00 326000.00 540000.00 874000.00 789000.00 772000.00 623000.00 PE(P-16:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z))_1 198000.00 179000.00 241000.00 239000.00 176000.00 199000.00 296000.00 254000.00 10300000.00 177000.00 223000.00 106000.00 161000.00 177000.00 167000.00 114000.00 PE(P-16:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z))_2 1470000.00 2340000.00 4360000.00 83600.00 2570000.00 2370000.00 1920000.00 1860000.00 83300.00 72300.00 116000.00 2660000.00 210000.00 3660000.00 2470000.00 2080000.00 PE(P-18:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z)) 198000.00 178000.00 236000.00 219000.00 157000.00 175000.00 286000.00 238000.00 179000.00 180000.00 165000.00 143000.00 203000.00 178000.00 190000.00 125000.00 PE(P-18:1(9Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))_1 74500.00 70800.00 2560000.00 2760000.00 79100.00 3600000.00 82500.00 74300.00 1350000.00 1320000.00 834000.00 118000.00 168000.00 2840000.00 2580000.00 1920000.00 PE(P-18:1(9Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))_2 2190000.00 1550000.00 39200.00 2430000.00 1510000.00 1490000.00 3030000.00 2430000.00 2390000.00 2590000.00 41900.00 899000.00 862000.00 40200.00 1970000.00 1260000.00 PE(P-20:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z)) 2200000.00 2400000.00 53000.00 2840000.00 1930000.00 2030000.00 61900.00 2920000.00 1950000.00 2070000.00 1110000.00 1420000.00 1910000.00 2030000.00 1540000.00 758000.00 PE-Cer(d16:2(4E,6E)/24:1(15Z)(2OH)) 1150000.00 1240000.00 918000.00 389000.00 965000.00 1090000.00 1750000.00 1670000.00 3020000.00 2520000.00 2220000.00 620000.00 1210000.00 1430000.00 2410000.00 1920000.00 Pelargonidin 3-(6-(malonyl)glucoside)-7-(6-(4-(glucosyl)-p-hydroxybenzoyl)glucoside) 1550000.00 1240000.00 1200000.00 1250000.00 1150000.00 2380000.00 1250000.00 1240000.00 1190000.00 1090000.00 1440000.00 105000.00 1950000.00 1140000.00 1180000.00 2330000.00 Peonidin 3-rutinoside 355000.00 168000.00 530000.00 122000.00 250000.00 393000.00 82800.00 480000.00 385000.00 500000.00 146000.00 335000.00 869000.00 430000.00 204000.00 43100.00 Peridinin 58300.00 55600.00 60500.00 48400.00 55400.00 2740000.00 68200.00 66200.00 48300.00 64900.00 3160000.00 1940000.00 3080000.00 66200.00 67200.00 2970000.00 Persin_1 67100.00 74400.00 1970000.00 2370000.00 1870000.00 1820000.00 105000.00 91200.00 137000.00 142000.00 109000.00 2720000.00 60900.00 167000.00 172000.00 2730000.00 Persin_2 45500.00 41700.00 2920000.00 2810000.00 2150000.00 3010000.00 39900.00 49700.00 43800.00 52000.00 46900.00 2050000.00 54000.00 46300.00 42700.00 2550000.00 PG(10:0/10:0)_1 388000.00 358000.00 362000.00 351000.00 365000.00 347000.00 506000.00 419000.00 394000.00 364000.00 343000.00 275000.00 18200000.00 417000.00 371000.00 335000.00 PG(10:0/10:0)_2 1560000.00 31900.00 36100.00 35200.00 2000000.00 1800000.00 2090000.00 2220000.00 1460000.00 1680000.00 1610000.00 882000.00 469000.00 33300.00 1700000.00 1550000.00 PG(12:0/18:3(6Z,9Z,12Z)) 149000.00 128000.00 163000.00 160000.00 115000.00 121000.00 269000.00 202000.00 77900.00 81100.00 122000.00 87300.00 128000.00 128000.00 128000.00 137000.00 PG(14:0/14:0)_1 101000.00 96400.00 111000.00 113000.00 76700.00 85600.00 194000.00 157000.00 51800.00 56000.00 86200.00 55800.00 93800.00 83600.00 89200.00 98300.00 PG(14:0/14:0)_2 1370000.00 1280000.00 1530000.00 1330000.00 33800000.00 1170000.00 72700000.00 2100000.00 739000.00 752000.00 61000000.00 26000000.00 1220000.00 60800000.00 1190000.00 1280000.00 PG(14:1(9Z)/14:1(9Z)) 169000.00 198000.00 376000.00 399000.00 222000.00 229000.00 128000.00 123000.00 390000.00 392000.00 627000.00 264000.00 994000.00 249000.00 192000.00 245000.00 PG(14:1(9Z)/22:2(13Z,16Z)) 108000.00 107000.00 131000.00 114000.00 91900.00 98300.00 170000.00 146000.00 4450000.00 70000.00 105000.00 81900.00 113000.00 105000.00 101000.00 121000.00 PG(15:0/0:0) 81500.00 60900.00 490000.00 233000.00 155000.00 171000.00 201000.00 134000.00 42900.00 2410000.00 1110000.00 67100.00 88100.00 1490000.00 1510000.00 88000.00 PG(15:0/22:0) 207000.00 195000.00 171000.00 178000.00 4480000.00 8070000.00 13200000.00 199000.00 6030000.00 4020000.00 5940000.00 5210000.00 8010000.00 137000.00 6860000.00 5150000.00 PG(16:0/0:0)_1 12900000.00 12500000.00 11800000.00 11800000.00 11500000.00 11300000.00 18100000.00 15200000.00 12200000.00 12300000.00 12000000.00 8210000.00 10500000.00 12600000.00 12300000.00 11200000.00 PG(16:0/0:0)_2 39400000.00 43900000.00 43500000.00 736000.00 741000.00 44500000.00 832000.00 862000.00 814000.00 793000.00 867000.00 478000.00 537000.00 821000.00 809000.00 712000.00 PG(16:0/0:0)_3 29900000.00 30700000.00 27800000.00 27500000.00 29600000.00 28200000.00 32200000.00 33000000.00 29500000.00 32500000.00 28900000.00 20500000.00 25100000.00 576000.00 30600000.00 27400000.00 PG(16:0/22:2(13Z,16Z)) 46300.00 115000.00 83000.00 354000.00 479000.00 146000.00 371000.00 58300.00 15000.00 29600.00 17300.00 14100.00 1000000.00 125000.00 193000.00 29500.00 PG(16:1(9Z)/22:2(13Z,16Z))_1 90300.00 80700.00 79100.00 78700.00 110000.00 118000.00 140000.00 127000.00 966000.00 934000.00 797000.00 155000.00 229000.00 2670000.00 2310000.00 73700.00 PG(16:1(9Z)/22:2(13Z,16Z))_2 657000.00 12800.00 3120000.00 2080000.00 1110000.00 80000.00 941000.00 744000.00 1070000.00 651000.00 677000.00 627000.00 958000.00 708000.00 816000.00 624000.00 PG(16:1(9Z)/22:2(13Z,16Z))_3 657000.00 819000.00 3050000.00 87700.00 1110000.00 803000.00 941000.00 744000.00 1070000.00 651000.00 677000.00 627000.00 958000.00 708000.00 816000.00 624000.00 PG(17:0/0:0) 196000.00 182000.00 177000.00 172000.00 192000.00 167000.00 281000.00 203000.00 198000.00 177000.00 192000.00 144000.00 153000.00 225000.00 185000.00 163000.00 PG(17:0/14:1(9Z)) 51200.00 47300.00 48200.00 49600.00 2650000.00 46500.00 47500.00 50800.00 55500.00 56200.00 54000.00 39500.00 51100.00 57200.00 53100.00 50800.00 PG(17:0/22:0) 89700.00 3810000.00 3570000.00 4450000.00 3280000.00 3520000.00 159000.00 8330000.00 4600000.00 4130000.00 4150000.00 5480000.00 126000.00 90800.00 5100000.00 2430000.00 PG(17:0/22:1(11Z)) 96600.00 5080000.00 4690000.00 4430000.00 5040000.00 4650000.00 91400.00 85000.00 2450000.00 3410000.00 2560000.00 3660000.00 71500.00 55500.00 1230000.00 2500000.00 PG(17:1(9Z)/0:0) 90400.00 93000.00 275000.00 268000.00 190000.00 193000.00 148000.00 136000.00 1940000.00 1850000.00 1680000.00 40500.00 2640000.00 67500.00 78900.00 4090000.00 PG(18:0/0:0)_1 109000.00 90000.00 6280000.00 5300000.00 4570000.00 5830000.00 7040000.00 6890000.00 137000.00 8310000.00 124000.00 3570000.00 101000.00 117000.00 103000.00 5170000.00 PG(18:0/0:0)_2 527000.00 496000.00 471000.00 461000.00 417000.00 507000.00 397000.00 500000.00 533000.00 571000.00 537000.00 308000.00 444000.00 448000.00 438000.00 449000.00 PG(18:0/0:0)_3 6280000.00 5610000.00 5950000.00 5680000.00 4950000.00 5990000.00 7250000.00 7020000.00 5740000.00 6050000.00 5570000.00 3950000.00 5650000.00 5390000.00 5310000.00 5560000.00 PG(18:0/18:0) 84300.00 82600.00 111000.00 106000.00 71200.00 82300.00 149000.00 119000.00 71500.00 84400.00 68500.00 63500.00 103000.00 91000.00 96500.00 48800.00 PG(18:1(9Z)/22:4(7Z,10Z,13Z,16Z))_1 782000.00 764000.00 752000.00 746000.00 948000.00 820000.00 17500.00 1030000.00 212000.00 217000.00 73200.00 29600.00 1820000.00 595000.00 647000.00 482000.00 PG(18:1(9Z)/22:4(7Z,10Z,13Z,16Z))_2 1290000.00 1310000.00 910000.00 734000.00 1090000.00 1190000.00 33200.00 1660000.00 392000.00 427000.00 200000.00 32200.00 2890000.00 1100000.00 1030000.00 606000.00 PG(18:3(6Z,9Z,12Z)/0:0)_1 362000.00 380000.00 382000.00 399000.00 392000.00 404000.00 387000.00 413000.00 428000.00 449000.00 389000.00 241000.00 227000.00 402000.00 402000.00 360000.00 PG(18:3(6Z,9Z,12Z)/0:0)_2 39400000.00 1150000.00 42300000.00 1240000.00 42900000.00 1260000.00 32100000.00 1180000.00 941000.00 54300000.00 1240000.00 556000.00 41800000.00 828000.00 1160000.00 39000000.00 PG(18:3(6Z,9Z,12Z)/0:0)_3 221000000.00 4610000.00 3880000.00 4070000.00 236000000.00 223000000.00 263000000.00 4660000.00 188000000.00 3890000.00 185000000.00 140000000.00 3640000.00 210000000.00 245000000.00 3990000.00 PG(18:3(6Z,9Z,12Z)/0:0)_4 13000000.00 13700000.00 5750000.00 17900000.00 243000.00 11600000.00 6950000.00 8720000.00 16500000.00 292000.00 265000.00 10500000.00 5420000.00 12700000.00 282000.00 5970000.00 PG(19:0/0:0)_1 417000.00 445000.00 427000.00 429000.00 426000.00 421000.00 517000.00 538000.00 524000.00 542000.00 496000.00 259000.00 426000.00 475000.00 481000.00 453000.00 PG(19:0/0:0)_2 3120000.00 175000.00 3650000.00 2650000.00 2960000.00 7510000.00 2390000.00 6970000.00 4480000.00 103000.00 111000.00 2410000.00 6360000.00 3990000.00 4960000.00 151000.00 PG(19:0/0:0)_3 6240000.00 180000.00 5940000.00 3690000.00 5550000.00 5110000.00 7120000.00 9210000.00 239000.00 249000.00 5690000.00 2720000.00 206000.00 8920000.00 252000.00 218000.00 PG(19:0/0:0)_4 6240000.00 7540000.00 31500.00 3690000.00 33900.00 5110000.00 7120000.00 9210000.00 7890000.00 9360000.00 5690000.00 2720000.00 7550000.00 8920000.00 8900000.00 5670000.00 PG(19:0/0:0)_5 3910000.00 14900000.00 14600000.00 25800.00 24700.00 14900000.00 18100000.00 17800000.00 4140000.00 18100000.00 16600000.00 9240000.00 14500000.00 16000000.00 16500000.00 15600000.00 PG(20:3(8Z,11Z,14Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)) 912000.00 251000.00 626000.00 684000.00 1430000.00 704000.00 605000.00 559000.00 2650000.00 718000.00 650000.00 PG(22:0/12:0) 1160000.00 1130000.00 1410000.00 1300000.00 977000.00 1060000.00 1920000.00 1570000.00 41200000.00 42200000.00 1000000.00 751000.00 1120000.00 63800000.00 62800000.00 1170000.00 PG(22:1(11Z)/0:0) 6130000.00 12000000.00 7260000.00 1090000.00 6250000.00 10800000.00 3630000.00 213000.00 12300000.00 12600000.00 226000.00 2420000.00 7210000.00 4530000.00 12100000.00 4900000.00 PG(O-16:0/17:2(9Z,12Z))_1 81900.00 3780000.00 71200.00 3830000.00 4250000.00 4630000.00 76000.00 73200.00 75400.00 2280000.00 2670000.00 4260000.00 76400.00 76500.00 66100.00 68300.00 PG(O-16:0/17:2(9Z,12Z))_2 4780000.00 63100.00 3780000.00 62700.00 3910000.00 75500.00 2390000.00 4310000.00 4610000.00 69300.00 65700.00 71000.00 4670000.00 4470000.00 4050000.00 4150000.00 PG(O-16:0/17:2(9Z,12Z))_3 1870000.00 1830000.00 1580000.00 1770000.00 1680000.00 1670000.00 1090000.00 2560000.00 184000.00 95500.00 1500000.00 1550000.00 284000.00 216000.00 23300.00 PG(O-18:0/14:0) 93200.00 105000.00 134000.00 132000.00 116000.00 117000.00 186000.00 167000.00 69000.00 66800.00 75900.00 84400.00 6320000.00 74900.00 81900.00 104000.00 PG(O-18:0/18:3(6Z,9Z,12Z))_1 2550000.00 2070000.00 39600.00 2260000.00 2140000.00 2280000.00 55800.00 51100.00 1270000.00 1500000.00 1010000.00 1090000.00 1630000.00 1760000.00 1890000.00 705000.00 PG(O-18:0/18:3(6Z,9Z,12Z))_2 168000.00 229000.00 562000.00 156000.00 158000.00 105000.00 9960.00 52400.00 187000.00 207000.00 267000.00 17700.00 23000.00 137000.00 294000.00 PG(O-18:0/18:3(6Z,9Z,12Z))_3 166000.00 359000.00 580000.00 362000.00 443000.00 517000.00 148000.00 8420.00 286000.00 124000.00 302000.00 17700.00 23000.00 348000.00 95600.00 207000.00 PG(O-18:0/18:4(6Z,9Z,12Z,15Z))_1 22800.00 778000.00 46000.00 44100.00 2360000.00 2390000.00 24700.00 22900.00 1050000.00 1090000.00 1920000.00 534000.00 549000.00 27400.00 26300.00 670000.00 PG(O-18:0/18:4(6Z,9Z,12Z,15Z))_2 40800.00 40500.00 41000.00 42000.00 1890000.00 2010000.00 52700.00 50600.00 2020000.00 37300.00 1310000.00 926000.00 1570000.00 55200.00 57000.00 701000.00 PG(O-18:0/18:4(6Z,9Z,12Z,15Z))_3 548000.00 21700.00 54000.00 55600.00 1280000.00 1390000.00 36600.00 24700.00 521000.00 622000.00 760000.00 400000.00 731000.00 562000.00 18200.00 293000.00 PG(O-18:0/21:0) 949000.00 691000.00 1040000.00 996000.00 844000.00 716000.00 1540000.00 1290000.00 388000.00 410000.00 329000.00 1860000.00 658000.00 63600.00 396000.00 433000.00 PG(O-18:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z)) 4570000.00 4970000.00 3460000.00 4470000.00 3590000.00 3910000.00 4460000.00 4740000.00 4630000.00 84500.00 3800000.00 1710000.00 65400.00 5330000.00 5430000.00 37100.00 PG(P-16:0/14:1(9Z)) 1560000.00 313000.00 2010000.00 2700000.00 1770000.00 862000.00 47500.00 440000.00 1980000.00 1030000.00 886000.00 972000.00 260000.00 1750000.00 241000.00 666000.00 PG(P-16:0/15:1(9Z)) 1350000.00 10100000.00 1320000.00 1310000.00 1290000.00 22100000.00 1290000.00 1370000.00 1390000.00 29200000.00 24900000.00 1350000.00 1510000.00 1320000.00 6430000.00 47100000.00 PGF2alpha isopropyl ester 274000.00 289000.00 287000.00 292000.00 270000.00 279000.00 277000.00 289000.00 307000.00 313000.00 306000.00 230000.00 308000.00 307000.00 311000.00 280000.00 Phalluside-1 188000.00 180000.00 195000.00 191000.00 172000.00 165000.00 315000.00 269000.00 5370000.00 90700.00 107000.00 74900.00 107000.00 4850000.00 91500.00 101000.00 PI(13:0/22:2(13Z,16Z)) 1980000.00 989000.00 46800.00 3550000.00 1080000.00 1270000.00 2030000.00 1920000.00 1710000.00 979000.00 58100.00 3430000.00 1090000.00 919000.00 1950000.00 1950000.00 PI(14:0/0:0) 81700.00 430000.00 200000.00 183000.00 34300.00 53600.00 77100.00 77000.00 82000.00 474000.00 1100000.00 3280000.00 2500000.00 PI(14:0/22:2(13Z,16Z)) 5680000.00 90200.00 227000.00 215000.00 108000.00 112000.00 2260000.00 1960000.00 146000.00 146000.00 137000.00 97500.00 317000.00 3510000.00 2260000.00 86800.00 PI(14:0/22:4(7Z,10Z,13Z,16Z))_1 27000.00 1360000.00 45400.00 47600.00 1670000.00 1680000.00 891000.00 758000.00 1740000.00 31600.00 131000.00 1240000.00 54700.00 597000.00 609000.00 1440000.00 PI(14:0/22:4(7Z,10Z,13Z,16Z))_2 394000.00 426000.00 703000.00 717000.00 411000.00 456000.00 3610000.00 232000.00 462000.00 466000.00 38100.00 6900000.00 923000.00 215000.00 183000.00 380000.00 PI(14:1(9Z)/22:4(7Z,10Z,13Z,16Z)) 387000.00 763000.00 1310000.00 1340000.00 258000.00 924000.00 202000.00 114000.00 24100.00 1440000.00 122000.00 530000.00 1850000.00 540000.00 668000.00 90700.00 PI(15:0/22:2(13Z,16Z))_1 144000.00 181000.00 144000.00 159000.00 140000.00 163000.00 151000.00 183000.00 142000.00 182000.00 148000.00 110000.00 160000.00 148000.00 178000.00 169000.00 PI(15:0/22:2(13Z,16Z))_2 1220000.00 22400.00 20200.00 18600.00 18900.00 20300.00 24000.00 23200.00 21400.00 27800.00 18000.00 11700.00 19600.00 1240000.00 25800.00 20600.00 PI(15:0/22:2(13Z,16Z))_3 784000.00 1150000.00 753000.00 833000.00 840000.00 846000.00 637000.00 524000.00 601000.00 7800.00 6120.00 144000.00 6960.00 636000.00 1050000.00 929000.00 PI(15:0/22:2(13Z,16Z))_4 784000.00 1150000.00 753000.00 833000.00 840000.00 846000.00 637000.00 524000.00 601000.00 18600.00 398000.00 144000.00 805000.00 636000.00 1050000.00 929000.00 PI(16:0/18:1(9Z)) 103000.00 99200.00 5080000.00 86400.00 66400.00 3840000.00 169000.00 144000.00 75300.00 72700.00 2310000.00 38400.00 60000.00 78400.00 80200.00 52900.00 PI(16:1(9Z)/22:2(13Z,16Z)) 893000.00 279000.00 1980000.00 1970000.00 1050000.00 1190000.00 242000.00 331000.00 1850000.00 2100000.00 98700.00 562000.00 63600.00 869000.00 349000.00 290000.00 PI(16:1(9Z)/22:4(7Z,10Z,13Z,16Z)) 86200.00 88200.00 138000.00 134000.00 78600.00 79700.00 41700.00 38800.00 139000.00 140000.00 48000.00 85100.00 235000.00 48500.00 44900.00 131000.00 PI(17:0/20:4(5Z,8Z,11Z,14Z)) 833000.00 47300.00 2430000.00 2240000.00 2160000.00 2200000.00 2270000.00 1920000.00 2680000.00 48400.00 2320000.00 1370000.00 2220000.00 3130000.00 3040000.00 1310000.00 PI(17:1(9Z)/22:2(13Z,16Z))_1 1410000.00 1550000.00 1650000.00 1590000.00 1550000.00 24400.00 1360000.00 1270000.00 36400.00 36000.00 26700.00 1530000.00 1960000.00 1900000.00 31400.00 1860000.00 PI(17:1(9Z)/22:2(13Z,16Z))_2 1350000.00 1280000.00 1470000.00 1440000.00 1370000.00 1390000.00 1220000.00 1160000.00 1970000.00 1850000.00 23900.00 1340000.00 31700.00 1750000.00 30200.00 28800.00 PI(17:2(9Z,12Z)/22:4(7Z,10Z,13Z,16Z))_1 42600.00 1970000.00 29700.00 1680000.00 1450000.00 1240000.00 44100.00 2370000.00 33800.00 39100.00 1360000.00 1000000.00 1540000.00 44900.00 48100.00 462000.00 PI(17:2(9Z,12Z)/22:4(7Z,10Z,13Z,16Z))_2 1280000.00 1960000.00 30600.00 1780000.00 1620000.00 1870000.00 1990000.00 35200.00 1090000.00 32500.00 1800000.00 1590000.00 1880000.00 34000.00 34200.00 1870000.00 PI(18:0/20:4(5Z,8Z,11Z,14Z)) 796000.00 834000.00 1380000.00 1360000.00 831000.00 836000.00 505000.00 487000.00 1480000.00 1540000.00 115000.00 863000.00 2680000.00 746000.00 625000.00 841000.00 PI(18:0/22:2(13Z,16Z)) 1940000.00 2260000.00 1960000.00 2160000.00 2270000.00 1860000.00 90400.00 2570000.00 2030000.00 2350000.00 1830000.00 1590000.00 2250000.00 2140000.00 2330000.00 2330000.00 PI(18:1(9Z)/22:4(7Z,10Z,13Z,16Z)) 545000.00 788000.00 2440000.00 2360000.00 1590000.00 1090000.00 1560000.00 1490000.00 2100000.00 1660000.00 2770000.00 662000.00 854000.00 1950000.00 2140000.00 608000.00 PI(20:1(11Z)/22:4(7Z,10Z,13Z,16Z)) 1960000.00 2080000.00 2280000.00 2530000.00 1740000.00 2150000.00 94200.00 61100.00 762000.00 904000.00 1680000.00 470000.00 1530000.00 1960000.00 1660000.00 1550000.00 PI(20:1(11Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))_1 391000.00 385000.00 381000.00 387000.00 376000.00 389000.00 366000.00 385000.00 389000.00 395000.00 360000.00 330000.00 361000.00 395000.00 409000.00 325000.00 PI(20:1(11Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))_2 1100000.00 1110000.00 1230000.00 1180000.00 987000.00 1060000.00 1110000.00 1030000.00 1250000.00 1230000.00 1040000.00 535000.00 790000.00 1200000.00 1250000.00 773000.00 PI(20:2(11Z,14Z)/22:4(7Z,10Z,13Z,16Z))_1 247000.00 231000.00 313000.00 305000.00 228000.00 239000.00 596000.00 434000.00 139000.00 137000.00 200000.00 118000.00 196000.00 237000.00 213000.00 217000.00 PI(20:2(11Z,14Z)/22:4(7Z,10Z,13Z,16Z))_2 7430000.00 5590000.00 5070000.00 8140000.00 6850000.00 8110000.00 8000000.00 5540000.00 7760000.00 5810000.00 7720000.00 83400.00 2780000.00 9130000.00 2840000.00 5030000.00 PI(21:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z)) 1290000.00 1110000.00 1170000.00 1260000.00 1090000.00 1030000.00 1100000.00 1080000.00 1050000.00 1250000.00 1150000.00 925000.00 1130000.00 1240000.00 21600.00 1040000.00 PI(22:1(11Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)) 455000.00 486000.00 517000.00 518000.00 453000.00 464000.00 527000.00 503000.00 343000.00 370000.00 297000.00 320000.00 409000.00 403000.00 429000.00 379000.00 PI(22:2(13Z,16Z)/22:4(7Z,10Z,13Z,16Z)) 1280000.00 505000.00 1740000.00 1980000.00 1460000.00 1000000.00 58400.00 1760000.00 438000.00 898000.00 700000.00 317000.00 843000.00 1130000.00 1140000.00 1050000.00 PI(22:2(13Z,16Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))_1 1710000.00 937000.00 1100000.00 386000.00 593000.00 874000.00 32700.00 1280000.00 967000.00 393000.00 932000.00 436000.00 833000.00 655000.00 382000.00 955000.00 PI(22:2(13Z,16Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))_2 445000.00 750000.00 1100000.00 1260000.00 678000.00 1300000.00 981000.00 596000.00 1520000.00 1170000.00 932000.00 907000.00 1480000.00 998000.00 123000.00 47200.00 PI(O-18:0/18:4(6Z,9Z,12Z,15Z)) 2050000.00 34800.00 2050000.00 2070000.00 1820000.00 2150000.00 2060000.00 1810000.00 1950000.00 2170000.00 1790000.00 1490000.00 2090000.00 2240000.00 2210000.00 2020000.00 PI(P-18:0/0:0) 1050000.00 1190000.00 52700.00 48800.00 1550000.00 1700000.00 1080000.00 480000.00 198000.00 160000.00 383000.00 1620000.00 1830000.00 72300.00 62500.00 632000.00 PI-Cer(d18:0/18:0) 1390000.00 1320000.00 1230000.00 1070000.00 842000.00 14800.00 1240000.00 18400.00 1520000.00 22200.00 14100.00 3150000.00 12600.00 22400.00 22400.00 4120000.00 PI-Cer(t18:0/16:0(2OH))_1 351000.00 353000.00 293000.00 298000.00 226000.00 237000.00 513000.00 453000.00 227000.00 231000.00 101000.00 137000.00 193000.00 264000.00 264000.00 192000.00 PI-Cer(t18:0/16:0(2OH))_2 161000.00 168000.00 139000.00 133000.00 110000.00 117000.00 159000.00 159000.00 133000.00 141000.00 87100.00 98400.00 124000.00 136000.00 7290000.00 110000.00 Plakoside A 39600000.00 34700000.00 12000000.00 25400000.00 14000000.00 21200000.00 24800000.00 35200000.00 153000.00 86300.00 24600000.00 39000000.00 35300.00 163000.00 1080000.00 Prebarbigerone 8880.00 82200.00 33800.00 35300.00 73300.00 18400.00 766000.00 1150000.00 1370000.00 1860000.00 227000.00 104000.00 21100.00 2160000.00 37700.00 1530000.00 prednisone 52800.00 55400.00 2920000.00 2870000.00 48900.00 48200.00 2810000.00 2930000.00 2260000.00 2110000.00 2620000.00 2050000.00 2800000.00 1870000.00 1850000.00 2270000.00 Presqualene diphosphate_1 1200000.00 1390000.00 1220000.00 1320000.00 1200000.00 1320000.00 1450000.00 1330000.00 1150000.00 1300000.00 1150000.00 1100000.00 1240000.00 1150000.00 1570000.00 1600000.00 Presqualene diphosphate_2 1840000.00 1800000.00 1800000.00 1810000.00 1790000.00 1780000.00 1410000.00 1770000.00 1740000.00 1920000.00 1830000.00 1730000.00 1800000.00 1720000.00 1680000.00 1510000.00 PS(10:0/10:0) 448000.00 482000.00 1030000.00 538000.00 1520000.00 1490000.00 1000000.00 536000.00 911000.00 882000.00 1430000.00 1790000.00 38700.00 126000.00 270000.00 816000.00 PS(12:0/0:0) 164000.00 125000.00 PS(12:0/17:2(9Z,12Z)) 55700.00 50000.00 61200.00 56300.00 45700.00 45700.00 101000.00 86500.00 30400.00 1770000.00 45400.00 30200.00 48700.00 47800.00 45200.00 52800.00 PS(14:1(9Z)/22:2(13Z,16Z)) 2760000.00 50900.00 2680000.00 2850000.00 2030000.00 40700.00 1840000.00 1180000.00 69000.00 77900.00 1870000.00 1160000.00 31300.00 3310000.00 3550000.00 53000.00 PS(19:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z)) 3780000.00 76600.00 4780000.00 4700000.00 75400.00 73000.00 72200.00 4270000.00 87900.00 85300.00 83700.00 50700.00 62500.00 4770000.00 81000.00 59200.00 PS(20:0/22:1(11Z)) 2000000.00 2440000.00 3360000.00 78800.00 3100000.00 3450000.00 3560000.00 2930000.00 98700.00 228000.00 3060000.00 3180000.00 52000.00 1980000.00 PS(20:2(11Z,14Z)/22:4(7Z,10Z,13Z,16Z)) 2520000.00 2070000.00 99800.00 97900.00 3120000.00 60400.00 1450000.00 677000.00 3840000.00 1160000.00 105000.00 2240000.00 155000.00 1710000.00 545000.00 2230000.00 PS(20:4(5Z,8Z,11Z,14Z)/0:0) 38100.00 95900.00 454000.00 525000.00 229000.00 295000.00 24400.00 2760000.00 2470000.00 58900.00 213000.00 1060000.00 77000.00 473000.00 52300.00 PS(20:5(5Z,8Z,11Z,14Z,17Z)/0:0) 1560000.00 532000.00 684000.00 432000.00 177000.00 280000.00 39800.00 10400.00 7730000.00 7520000.00 8570000.00 41500.00 59600.00 2360000.00 2940000.00 PS(21:0/22:0) 54000.00 65200.00 3400000.00 71600.00 70600.00 112000.00 43000.00 58400.00 65200.00 71300.00 74000.00 67800.00 77600.00 59100.00 69300.00 273000.00 PS(22:0/12:0) 154000.00 128000.00 121000.00 6870000.00 7760000.00 7920000.00 11300000.00 176000.00 10900000.00 11100000.00 9500000.00 5980000.00 145000.00 9630000.00 8680000.00 9870000.00 PS(22:0/22:1(11Z)) 29900.00 1440000.00 3750000.00 51700.00 3070000.00 2910000.00 816000.00 561000.00 20500.00 37500.00 2390000.00 2410000.00 1550000.00 PS(22:1(11Z)/0:0)_1 1670000.00 1460000.00 1680000.00 1410000.00 1650000.00 1890000.00 60600.00 60900.00 309000.00 703000.00 40500.00 1900000.00 41000.00 1230000.00 1180000.00 54800.00 PS(22:1(11Z)/0:0)_2 1610000.00 1500000.00 1480000.00 1500000.00 1780000.00 1960000.00 3890000.00 58800.00 644000.00 102000.00 40200.00 1920000.00 2430000.00 1300000.00 1070000.00 3490000.00 PS(22:2(13Z,16Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)) 423000.00 444000.00 691000.00 708000.00 400000.00 429000.00 280000.00 247000.00 787000.00 799000.00 2670000.00 441000.00 1380000.00 395000.00 336000.00 433000.00 PS(22:6(4Z,7Z,10Z,13Z,16Z,19Z)/0:0) 497000.00 637000.00 598000.00 941000.00 690000.00 175000.00 301000.00 10300.00 386000.00 324000.00 1030000.00 346000.00 521000.00 455000.00 256000.00 244000.00 PS(O-16:0/12:0) 87000.00 1140000.00 4230000.00 4820000.00 4400000.00 3680000.00 4180000.00 3860000.00 5420000.00 4940000.00 1500000.00 3840000.00 4910000.00 4140000.00 3790000.00 3330000.00 PS(O-16:0/22:1(11Z)) 54900.00 1740000.00 2660000.00 1590000.00 1730000.00 1270000.00 2170000.00 1160000.00 1370000.00 1600000.00 122000.00 622000.00 604000.00 1520000.00 1280000.00 1510000.00 PS(O-18:0/20:3(8Z,11Z,14Z)) 57900.00 59100.00 66500.00 3370000.00 65300.00 67000.00 80700.00 80600.00 51100.00 2970000.00 2480000.00 2630000.00 63700.00 63500.00 3250000.00 46200.00 PS(O-20:0/0:0) 2900000.00 2760000.00 3360000.00 57500.00 2220000.00 2680000.00 69700.00 3220000.00 52300.00 59700.00 2660000.00 2330000.00 3240000.00 69700.00 64800.00 2420000.00 PS(O-20:0/22:4(7Z,10Z,13Z,16Z)) 66600.00 69000.00 52300.00 52500.00 47700.00 2940000.00 4150000.00 64700.00 3000000.00 54400.00 2300000.00 2830000.00 61200.00 2500000.00 61700.00 2930000.00 PS(P-16:0/12:0)_1 2390000.00 2430000.00 2270000.00 2320000.00 2070000.00 2230000.00 2300000.00 2400000.00 2510000.00 2570000.00 2480000.00 1870000.00 2460000.00 2220000.00 2420000.00 134000000.00 PS(P-16:0/12:0)_2 6330000.00 6290000.00 5880000.00 5670000.00 5470000.00 5850000.00 6070000.00 6190000.00 6470000.00 6690000.00 6370000.00 4930000.00 6210000.00 6130000.00 6250000.00 6030000.00 PS(P-16:0/14:1(9Z)) 35400000.00 558000.00 34100000.00 559000.00 588000.00 572000.00 545000.00 564000.00 590000.00 615000.00 609000.00 597000.00 629000.00 556000.00 584000.00 607000.00 PS(P-16:0/15:1(9Z)) 14100000.00 226000.00 214000.00 226000.00 215000.00 211000.00 220000.00 217000.00 233000.00 14600000.00 13000000.00 196000.00 237000.00 219000.00 210000.00 226000.00 PS-NAc(18:0/18:1(9Z)/16:0) 4380000.00 64400.00 133000.00 135000.00 119000.00 129000.00 39200.00 39900.00 1290000.00 1370000.00 95600.00 3240000.00 68700.00 1410000.00 1570000.00 4120000.00 Quercetin 3-(6''''-ferulylsophorotrioside) 1370000.00 1210000.00 1320000.00 1240000.00 1160000.00 2200000.00 1310000.00 1230000.00 1180000.00 1030000.00 1340000.00 107000.00 1870000.00 1190000.00 1250000.00 2080000.00 Scillirosidin 277000.00 255000.00 783000.00 744000.00 493000.00 591000.00 368000.00 413000.00 4950000.00 5000000.00 76900.00 126000.00 150000.00 8970000.00 10400000.00 11600000.00 SLBPA(54:3) 1660000.00 1100000.00 67200.00 62600.00 68900.00 59400.00 1230000.00 1460000.00 781000.00 701000.00 20300.00 1750000.00 2440000.00 762000.00 786000.00 2280000.00 SM(d16:1/17:0)_1 456000.00 429000.00 445000.00 433000.00 372000.00 395000.00 647000.00 529000.00 356000.00 359000.00 244000.00 307000.00 441000.00 502000.00 503000.00 375000.00 SM(d16:1/17:0)_2 96900.00 92800.00 4360000.00 4720000.00 75700.00 76500.00 154000.00 138000.00 53600.00 58300.00 2820000.00 60400.00 82100.00 72900.00 75800.00 73200.00 SM(d16:1/17:0)_3 112000.00 93800.00 111000.00 99100.00 92000.00 109000.00 84800.00 80400.00 300000.00 273000.00 270000.00 132000.00 110000.00 262000.00 252000.00 98300.00 SM(d16:1/23:0) 4090000.00 3620000.00 70100.00 71200.00 3410000.00 3430000.00 102000.00 87300.00 2550000.00 2280000.00 1990000.00 1670000.00 2300000.00 3540000.00 3500000.00 2700000.00 SM(d17:1/24:1) 391000.00 370000.00 422000.00 418000.00 360000.00 378000.00 639000.00 521000.00 263000.00 251000.00 120000.00 229000.00 331000.00 317000.00 319000.00 360000.00 SM(d18:0/16:0)_1 187000.00 176000.00 241000.00 238000.00 195000.00 205000.00 378000.00 317000.00 136000.00 140000.00 163000.00 122000.00 174000.00 189000.00 189000.00 168000.00 SM(d18:0/16:0)_2 19900.00 18800.00 20700.00 957000.00 18300.00 1140000.00 1140000.00 1130000.00 1190000.00 1190000.00 1220000.00 19100.00 21500.00 1260000.00 19000.00 17300.00 SM(d18:0/16:0)_3 4040000.00 4470000.00 920000.00 3310000.00 5190000.00 6210000.00 2750000.00 801000.00 26100000.00 17100000.00 8040000.00 7660000.00 2060000.00 552000.00 3920000.00 3020000.00 SM(d18:0/18:0)_1 946000.00 817000.00 1410000.00 774000.00 529000.00 1070000.00 2340000.00 1460000.00 977000.00 1180000.00 1330000.00 401000.00 635000.00 782000.00 50900.00 624000.00 SM(d18:0/18:0)_2 2610000.00 2930000.00 2680000.00 2400000.00 2780000.00 2810000.00 2730000.00 2810000.00 2990000.00 2590000.00 2700000.00 2750000.00 3150000.00 2700000.00 54800.00 2900000.00 SM(d18:0/26:0) 142000.00 129000.00 190000.00 8670000.00 8910000.00 190000.00 4500000.00 4700000.00 186000.00 149000.00 21800.00 5130000.00 6750000.00 309000.00 327000.00 8890000.00 SM(d18:1/14:0) 88600.00 84200.00 91200.00 90900.00 82100.00 85000.00 143000.00 120000.00 59800.00 62800.00 42900.00 57400.00 80700.00 86500.00 85400.00 79300.00 SM(d18:1/16:0) 6340000.00 6180000.00 6880000.00 6900000.00 6150000.00 6440000.00 10300000.00 9000000.00 4270000.00 4490000.00 4200000.00 4200000.00 5750000.00 5700000.00 5740000.00 5370000.00 SM(d18:1/17:0) 75000.00 71800.00 4380000.00 81200.00 75200.00 4140000.00 128000.00 5740000.00 2420000.00 49700.00 38300.00 2610000.00 56800.00 70800.00 3940000.00 63900.00 SM(d18:1/18:0) 11100000.00 9870000.00 566000.00 574000.00 16500000.00 11900000.00 38100000.00 786000.00 5240000.00 7770000.00 8730000.00 8990000.00 11800000.00 12000000.00 11700000.00 10100000.00 SM(d18:1/18:1(9Z)) 195000.00 10500000.00 12700000.00 12400000.00 205000.00 212000.00 359000.00 288000.00 6640000.00 122000.00 2620000.00 8290000.00 190000.00 8730000.00 8770000.00 172000.00 SM(d18:1/24:1(15Z)) 4570000.00 4290000.00 5320000.00 5210000.00 4540000.00 4750000.00 9410000.00 7740000.00 3160000.00 3230000.00 2040000.00 3130000.00 4670000.00 4140000.00 3880000.00 3700000.00 SM(d18:1/25:0) 169000.00 165000.00 200000.00 199000.00 193000.00 202000.00 122000.00 139000.00 26100.00 19800.00 122000.00 171000.00 11200.00 38000.00 186000.00 SM(d18:2/18:1)_1 51500.00 58700.00 2690000.00 59000.00 38400.00 49800.00 97400.00 88500.00 1610000.00 1490000.00 234000.00 2220000.00 57800.00 1920000.00 1590000.00 1980000.00 SM(d18:2/18:1)_2 262000.00 282000.00 565000.00 278000.00 181000.00 501000.00 17900.00 365000.00 28000.00 162000.00 76300.00 220000.00 43100.00 244000.00 183000.00 162000.00 SM(d18:2/24:1) 1990000.00 1960000.00 2240000.00 2180000.00 1880000.00 2030000.00 3780000.00 3120000.00 1110000.00 1130000.00 553000.00 1030000.00 1480000.00 1240000.00 1210000.00 1460000.00 Sphenostylin D_1 51700.00 53800.00 49500.00 50900.00 2470000.00 48000.00 51000.00 50100.00 68600.00 70500.00 44500.00 50600.00 67100.00 64700.00 65400.00 56800.00 Sphenostylin D_2 60000.00 58800.00 57900.00 55800.00 52300.00 53100.00 61000.00 55500.00 98500.00 96800.00 4300000.00 60400.00 81000.00 96700.00 5730000.00 65600.00 spinosic acid A 8740000.00 9970000.00 3870000.00 208000.00 10300000.00 2780000.00 2700000.00 9920000.00 10600000.00 10900000.00 12000000.00 10500000.00 10800000.00 190000.00 9820000.00 9020000.00 Stearoylcarnitine_1 328000.00 1930000.00 226000.00 1260000.00 193000.00 205000.00 494000.00 462000.00 1510000.00 541000.00 1050000.00 448000.00 2540000.00 443000.00 440000.00 230000.00 Stearoylcarnitine_2 37400.00 813000.00 49100.00 1980000.00 36700.00 37500.00 78800.00 1540000.00 2650000.00 73200.00 60000.00 669000.00 362000.00 99500.00 94900.00 419000.00 Stearoylcarnitine_3 7400000.00 357000.00 3890000.00 234000.00 4780000.00 4660000.00 9300000.00 785000.00 546000.00 11200000.00 297000.00 237000.00 318000.00 9410000.00 7710000.00 4840000.00 Stearoylcarnitine_4 175000.00 578000.00 1310000.00 283000.00 859000.00 1140000.00 1340000.00 62200.00 914000.00 303000.00 850000.00 728000.00 42600.00 848000.00 566000.00 28100.00 Sulfoglycolithocholic acid 6640000.00 5730000.00 3730000.00 3070000.00 1740000.00 1900000.00 24000.00 23200.00 998000.00 983000.00 40800000.00 3410000.00 2520000.00 1080000.00 63300000.00 Taurochenodeoxycholic acid_1 90200.00 1000000.00 40700.00 797000.00 592000.00 160000.00 14100000.00 14400000.00 42600000.00 117000.00 142000.00 35300000.00 8250000.00 Taurochenodeoxycholic acid_2 1290000.00 89300.00 1050000.00 1230000.00 535000.00 1070000.00 1860000.00 1980000.00 1720000.00 1670000.00 3620000.00 2020000.00 1940000.00 Taurochenodeoxycholic acid_3 11100000.00 11400000.00 2430000.00 2810000.00 1250000.00 1680000.00 97400.00 54300.00 3120000.00 3140000.00 2360000.00 2250000.00 252000.00 3230000.00 2990000.00 Taurocholic acid 1720000.00 1450000.00 74500000.00 60300000.00 482000.00 30400000.00 1610000.00 1300000.00 22200000.00 22100000.00 19600000.00 2500000.00 2370000.00 27100000.00 26100000.00 469000.00 Termitomycesphin A 15900000.00 15700000.00 17100000.00 16900000.00 14400000.00 15100000.00 16700000.00 14900000.00 18100000.00 18400000.00 15400000.00 8740000.00 11700000.00 19000000.00 18800000.00 12200000.00 Tetranor-PGFM 583000.00 619000.00 648000.00 665000.00 558000.00 551000.00 801000.00 819000.00 342000.00 347000.00 322000.00 411000.00 484000.00 383000.00 413000.00 635000.00 TG(12:0/12:0/14:0)[iso3]_1 63500.00 63500.00 125000.00 131000.00 100000.00 102000.00 95900.00 96300.00 138000.00 146000.00 90000.00 104000.00 139000.00 74800.00 83000.00 87700.00 TG(12:0/12:0/14:0)[iso3]_2 16600.00 67700.00 317000.00 174000.00 238000.00 5270.00 79000.00 164000.00 385000.00 47100.00 239000.00 245000.00 322000.00 96300.00 198000.00 130000.00 TG(12:0/12:0/14:0)[iso3]_3 108000.00 3630000.00 47500.00 128000.00 4970000.00 5230.00 1570000.00 5420000.00 74300.00 8080000.00 5400000.00 6020000.00 7930000.00 4540000.00 294000.00 4810000.00 TG(12:0/12:0/16:0)[iso3] 2580000.00 2480000.00 86500.00 86000.00 68100.00 71200.00 72400.00 67800.00 90600.00 96800.00 62000.00 66600.00 91600.00 51400.00 54000.00 57400.00 TG(12:0/12:0/18:4(6Z,9Z,12Z,15Z))[iso3] 198000.00 201000.00 267000.00 254000.00 10400000.00 10700000.00 406000.00 334000.00 5060000.00 4840000.00 5280000.00 5660000.00 8360000.00 11200000.00 7710000.00 4410000.00 TG(12:0/12:0/20:0)[iso3] 84900.00 96200.00 294000.00 130000.00 113000.00 146000.00 136000.00 141000.00 101000.00 126000.00 74600.00 4810000.00 122000.00 108000.00 115000.00 3380000.00 TG(12:0/12:0/22:1(11Z))[iso3]_1 224000.00 198000.00 361000.00 333000.00 289000.00 319000.00 226000.00 256000.00 175000.00 203000.00 112000.00 198000.00 227000.00 170000.00 173000.00 213000.00 TG(12:0/12:0/22:1(11Z))[iso3]_2 347000.00 205000.00 876000.00 728000.00 653000.00 574000.00 9560.00 614000.00 938000.00 990000.00 9200.00 10400.00 15900.00 496000.00 384000.00 474000.00 TG(12:0/12:0/22:2(13Z,16Z))[iso3] 2480000.00 2640000.00 154000.00 166000.00 153000.00 136000.00 107000.00 127000.00 3550000.00 2920000.00 2580000.00 4780000.00 5980000.00 2810000.00 2930000.00 5770000.00 TG(12:0/12:0/22:5(7Z,10Z,13Z,16Z,19Z))[iso3] 171000.00 170000.00 190000.00 187000.00 157000.00 162000.00 303000.00 248000.00 121000.00 121000.00 1180000.00 98300.00 140000.00 122000.00 130000.00 147000.00 TG(12:0/16:0/18:0) 257000.00 257000.00 376000.00 364000.00 340000.00 351000.00 308000.00 285000.00 301000.00 315000.00 217000.00 255000.00 244000.00 353000.00 339000.00 267000.00 TG(12:0/18:3(6Z,9Z,12Z)/18:3(6Z,9Z,12Z))[iso3] 1080000.00 1020000.00 1190000.00 1180000.00 1020000.00 1060000.00 2060000.00 1630000.00 599000.00 611000.00 307000.00 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1360000.00 1520000.00 190000.00 188000.00 1550000.00 TG(18:2(9Z,12Z)/20:1(11Z)/20:1(11Z))[iso3]_2 234000.00 231000.00 352000.00 262000.00 340000.00 322000.00 178000.00 160000.00 187000.00 329000.00 20400.00 556000.00 809000.00 361000.00 59900.00 446000.00 TG(18:2(9Z,12Z)/20:2(11Z,14Z)/20:2(11Z,14Z))[iso3]_1 123000.00 116000.00 129000.00 125000.00 127000.00 132000.00 3970000.00 72100.00 220000.00 333000.00 178000.00 228000.00 206000.00 216000.00 191000.00 TG(18:2(9Z,12Z)/20:2(11Z,14Z)/20:2(11Z,14Z))[iso3]_2 407000.00 388000.00 481000.00 472000.00 472000.00 471000.00 325000.00 320000.00 333000.00 330000.00 362000.00 455000.00 350000.00 462000.00 440000.00 TG(18:2(9Z,12Z)/20:2(11Z,14Z)/20:2(11Z,14Z))[iso3]_3 762000.00 737000.00 682000.00 658000.00 764000.00 770000.00 519000.00 523000.00 261000.00 370000.00 509000.00 764000.00 63900.00 69500.00 860000.00 TG(18:2(9Z,12Z)/20:3(8Z,11Z,14Z)/20:3(8Z,11Z,14Z))[iso3]_1 3110000.00 3020000.00 2180000.00 2200000.00 2480000.00 2550000.00 2580000.00 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28800000.00 449000.00 29800000.00 426000.00 392000.00 209000.00 399000.00 26700000.00 430000.00 527000.00 239000.00 28800000.00 TG(18:3(9Z,12Z,15Z)/20:0/20:0)[iso3]_1 363000.00 344000.00 378000.00 378000.00 390000.00 375000.00 319000.00 322000.00 38100.00 41600.00 94600.00 316000.00 346000.00 42600.00 39600.00 353000.00 TG(18:3(9Z,12Z,15Z)/20:0/20:0)[iso3]_2 1010000.00 1000000.00 1380000.00 1380000.00 1390000.00 1390000.00 693000.00 713000.00 168000.00 167000.00 1450000.00 825000.00 983000.00 144000.00 139000.00 1120000.00 TG(18:3(9Z,12Z,15Z)/20:1(11Z)/20:1(11Z))[iso3]_1 268000.00 265000.00 465000.00 273000.00 526000.00 18500000.00 363000.00 357000.00 31900.00 34100.00 12800.00 512000.00 704000.00 61300.00 62100.00 630000.00 TG(18:3(9Z,12Z,15Z)/20:1(11Z)/20:1(11Z))[iso3]_2 1020000.00 1000000.00 1170000.00 1160000.00 1160000.00 1210000.00 829000.00 805000.00 77300.00 83000.00 191000.00 1010000.00 1180000.00 86200.00 83500.00 1080000.00 TG(18:3(9Z,12Z,15Z)/20:1(11Z)/20:1(11Z))[iso3]_3 2290000.00 2310000.00 117000.00 3200000.00 3200000.00 1470000.00 1370000.00 252000.00 526000.00 20100.00 67300.00 5330000.00 129000.00 407000.00 1100000.00 TG(18:3(9Z,12Z,15Z)/20:2(11Z,14Z)/20:2(11Z,14Z))[iso3]_1 2420000.00 104000000.00 1620000.00 1640000.00 1820000.00 1880000.00 1570000.00 78400000.00 412000.00 570000.00 73100000.00 1980000.00 411000.00 128000.00 136000000.00 TG(18:3(9Z,12Z,15Z)/20:2(11Z,14Z)/20:2(11Z,14Z))[iso3]_2 3090000.00 2540000.00 499000.00 6610000.00 4540000.00 67000.00 5780000.00 4130000.00 56700.00 28300.00 211000.00 254000.00 29500.00 35900.00 143000.00 TG(18:3(9Z,12Z,15Z)/20:2(11Z,14Z)/20:2(11Z,14Z))[iso3]_3 78900000.00 104000000.00 46100000.00 45900000.00 94400000.00 96500000.00 50800000.00 78400000.00 412000.00 570000.00 73100000.00 101000000.00 411000.00 128000.00 2580000.00 TG(18:3(9Z,12Z,15Z)/20:4(5Z,8Z,11Z,14Z)/20:4(5Z,8Z,11Z,14Z))[iso3]_1 377000.00 353000.00 274000.00 271000.00 295000.00 305000.00 443000.00 403000.00 152000.00 371000.00 306000.00 404000.00 455000.00 174000.00 9060000.00 TG(18:3(9Z,12Z,15Z)/20:4(5Z,8Z,11Z,14Z)/20:4(5Z,8Z,11Z,14Z))[iso3]_2 185000.00 164000.00 134000.00 134000.00 148000.00 148000.00 402000.00 392000.00 16000.00 155000.00 221000.00 236000.00 TG(19:0/20:1(11Z)/20:1(11Z))[iso3] 294000.00 1210000.00 310000.00 2310000.00 2390000.00 889000.00 1570000.00 932000.00 908000.00 888000.00 1690000.00 218000.00 244000.00 62600.00 TG(20:0/20:0/22:3(10Z,13Z,16Z))[iso3]_1 1470000.00 1280000.00 2300000.00 1320000.00 1310000.00 68400.00 711000.00 94100.00 185000.00 55100.00 79900.00 179000.00 41200.00 2890000.00 TG(20:0/20:0/22:3(10Z,13Z,16Z))[iso3]_2 357000.00 1160000.00 1070000.00 806000.00 2200000.00 2290000.00 1100000.00 819000.00 52800.00 293000.00 21900.00 2820000.00 40300.00 286000.00 41200.00 31000.00 TG(20:0/20:0/22:3(10Z,13Z,16Z))[iso3]_3 1410000.00 1160000.00 1070000.00 806000.00 2200000.00 2290000.00 1100000.00 819000.00 167000.00 293000.00 21900.00 2820000.00 3790000.00 286000.00 41200.00 44600.00 TG(20:0/20:1(11Z)/20:1(11Z))[iso3]_1 74200.00 26500.00 3120000.00 50300.00 52000.00 2830000.00 1280000.00 1100000.00 834000.00 787000.00 45200.00 2220000.00 50200.00 881000.00 777000.00 2380000.00 TG(20:0/20:1(11Z)/20:1(11Z))[iso3]_2 1740000.00 55100.00 3180000.00 63300.00 65200.00 1980000.00 2030000.00 1660000.00 1100000.00 300000.00 102000.00 143000.00 1500000.00 790000.00 113000.00 TG(20:0/20:3(8Z,11Z,14Z)/22:3(10Z,13Z,16Z))[iso6] 8000000.00 7580000.00 173000.00 168000.00 187000.00 199000.00 166000.00 6820000.00 15100.00 25400.00 211000.00 234000.00 23600.00 224000.00 TG(20:0/20:4(5Z,8Z,11Z,14Z)/22:3(10Z,13Z,16Z))[iso6] 212000.00 196000.00 4380000.00 7080000.00 7730000.00 8830000.00 7450000.00 4770000.00 19100.00 67400.00 187000.00 7930000.00 16900.00 17300.00 13600000.00 TG(20:0/20:5(5Z,8Z,11Z,14Z,17Z)/22:3(10Z,13Z,16Z))[iso6]_1 44000.00 33700.00 36500.00 58700.00 52300.00 36500.00 52700.00 TG(20:0/20:5(5Z,8Z,11Z,14Z,17Z)/22:3(10Z,13Z,16Z))[iso6]_2 151000.00 130000.00 140000.00 130000.00 8650000.00 152000.00 11400000.00 134000.00 71700.00 114000.00 10300000.00 129000.00 102000.00 51600.00 179000.00 TG(20:0/20:5(5Z,8Z,11Z,14Z,17Z)/22:3(10Z,13Z,16Z))[iso6]_3 311000.00 301000.00 225000.00 230000.00 244000.00 259000.00 295000.00 289000.00 71700.00 114000.00 264000.00 335000.00 102000.00 51600.00 324000.00 TG(20:1(11Z)/20:1(11Z)/20:1(11Z))_1 236000.00 234000.00 329000.00 341000.00 340000.00 350000.00 161000.00 166000.00 2040000.00 2030000.00 135000.00 245000.00 313000.00 1890000.00 1650000.00 294000.00 TG(20:1(11Z)/20:1(11Z)/20:1(11Z))_2 92400.00 80600.00 101000.00 96100.00 116000.00 120000.00 57500.00 58700.00 248000.00 676000.00 68700.00 222000.00 306000.00 448000.00 472000.00 195000.00 TG(20:1(11Z)/20:2(11Z,14Z)/20:2(11Z,14Z))[iso3]_1 906000.00 878000.00 964000.00 962000.00 977000.00 947000.00 680000.00 675000.00 2000000.00 1300000.00 175000.00 872000.00 1000000.00 1640000.00 742000.00 1050000.00 TG(20:1(11Z)/20:2(11Z,14Z)/20:2(11Z,14Z))[iso3]_2 2670000.00 60800.00 770000.00 64000.00 75700.00 4050000.00 1930000.00 1570000.00 45500.00 28600.00 20500.00 180000.00 232000.00 48100.00 54500.00 152000.00 TG(20:1(11Z)/20:3(8Z,11Z,14Z)/20:3(8Z,11Z,14Z))[iso3]_1 38900.00 99100.00 97600.00 82000.00 79100.00 53500.00 57800.00 TG(20:1(11Z)/20:3(8Z,11Z,14Z)/20:3(8Z,11Z,14Z))[iso3]_2 791000.00 544000.00 1320000.00 1110000.00 1020000.00 1280000.00 427000.00 663000.00 882000.00 186000.00 861000.00 1090000.00 416000.00 318000.00 999000.00 TG(20:1(11Z)/20:3(8Z,11Z,14Z)/20:3(8Z,11Z,14Z))[iso3]_3 163000.00 161000.00 168000.00 178000.00 TG(20:1(11Z)/20:3(8Z,11Z,14Z)/20:3(8Z,11Z,14Z))[iso3]_4 16400000.00 216000.00 1090000.00 226000.00 253000.00 17000000.00 218000.00 14700000.00 110000.00 108000.00 13600000.00 16500000.00 68400.00 39700.00 16300000.00 TG(20:2(11Z,14Z)/20:2(11Z,14Z)/20:2(11Z,14Z))_1 643000.00 650000.00 856000.00 880000.00 855000.00 848000.00 396000.00 402000.00 1890000.00 1840000.00 98600.00 736000.00 839000.00 1180000.00 682000.00 821000.00 TG(20:2(11Z,14Z)/20:2(11Z,14Z)/20:2(11Z,14Z))_2 35800000.00 36300000.00 38700000.00 48900000.00 46600000.00 46400000.00 24200000.00 49500.00 1420000.00 1840000.00 98600.00 40700000.00 46300000.00 1180000.00 682000.00 45100000.00 TG(20:2(11Z,14Z)/20:2(11Z,14Z)/20:2(11Z,14Z))_3 65200.00 96700.00 73300.00 TG(20:2(11Z,14Z)/20:3(8Z,11Z,14Z)/20:3(8Z,11Z,14Z))[iso3]_1 169000.00 124000.00 354000.00 458000.00 300000.00 314000.00 5290000.00 107000.00 44700.00 19200.00 209000.00 370000.00 259000.00 TG(20:2(11Z,14Z)/20:3(8Z,11Z,14Z)/20:3(8Z,11Z,14Z))[iso3]_2 86900.00 118000.00 129000.00 94500.00 TG(20:2(11Z,14Z)/20:3(8Z,11Z,14Z)/20:3(8Z,11Z,14Z))[iso3]_3 81700.00 TG(20:2(11Z,14Z)/20:3(8Z,11Z,14Z)/20:3(8Z,11Z,14Z))[iso3]_4 362000.00 248000.00 303000.00 362000.00 432000.00 507000.00 TG(20:2(11Z,14Z)/20:4(5Z,8Z,11Z,14Z)/20:4(5Z,8Z,11Z,14Z))[iso3]_1 560000.00 540000.00 320000.00 417000.00 498000.00 458000.00 751000.00 333000.00 537000.00 700000.00 TG(20:2(11Z,14Z)/20:4(5Z,8Z,11Z,14Z)/20:4(5Z,8Z,11Z,14Z))[iso3]_2 660000.00 TG(20:2(11Z,14Z)/20:4(5Z,8Z,11Z,14Z)/20:4(5Z,8Z,11Z,14Z))[iso3]_3 38900.00 TG(20:3(8Z,11Z,14Z)/20:3(8Z,11Z,14Z)/20:3(8Z,11Z,14Z))_1 471000.00 455000.00 329000.00 5120000.00 372000.00 11200000.00 437000.00 436000.00 24700.00 16800.00 354000.00 503000.00 580000.00 TG(20:3(8Z,11Z,14Z)/20:3(8Z,11Z,14Z)/20:3(8Z,11Z,14Z))_2 27200.00 33500.00 16600.00 TG(20:3(8Z,11Z,14Z)/20:4(5Z,8Z,11Z,14Z)/20:4(5Z,8Z,11Z,14Z))[iso3]_1 79100.00 78000.00 2500000.00 1920000.00 1290000.00 2240000.00 2520000.00 4920000.00 21700.00 22200.00 3200000.00 729000.00 6900000.00 TG(20:3(8Z,11Z,14Z)/20:4(5Z,8Z,11Z,14Z)/20:4(5Z,8Z,11Z,14Z))[iso3]_2 435000.00 405000.00 308000.00 314000.00 372000.00 401000.00 761000.00 742000.00 43400.00 313000.00 451000.00 18600.00 551000.00 TG(20:3(8Z,11Z,14Z)/20:4(5Z,8Z,11Z,14Z)/20:4(5Z,8Z,11Z,14Z))[iso3]_3 19100000.00 18800000.00 16100.00 16000000.00 18600000.00 18800000.00 36900000.00 42700000.00 43400.00 14500000.00 20500000.00 18600.00 26300000.00 TG(20:3(8Z,11Z,14Z)/20:5(5Z,8Z,11Z,14Z,17Z)/20:5(5Z,8Z,11Z,14Z,17Z))[iso3]_1 279000.00 274000.00 185000.00 181000.00 202000.00 209000.00 397000.00 384000.00 179000.00 92200.00 236000.00 301000.00 99800.00 11700.00 341000.00 TG(20:3(8Z,11Z,14Z)/20:5(5Z,8Z,11Z,14Z,17Z)/20:5(5Z,8Z,11Z,14Z,17Z))[iso3]_2 125000.00 125000.00 61900.00 61700.00 TG(20:3(8Z,11Z,14Z)/20:5(5Z,8Z,11Z,14Z,17Z)/22:3(10Z,13Z,16Z))[iso6] 121000.00 117000.00 TG(20:3(8Z,11Z,14Z)/22:3(10Z,13Z,16Z)/22:3(10Z,13Z,16Z))[iso3]_1 27400.00 48000.00 TG(20:3(8Z,11Z,14Z)/22:3(10Z,13Z,16Z)/22:3(10Z,13Z,16Z))[iso3]_2 58400.00 63200.00 100000.00 TG(20:4(5Z,8Z,11Z,14Z)/18:2(9Z,12Z)/20:4(5Z,8Z,11Z,14Z)) (d5)_1 2250000.00 2270000.00 1580000.00 1650000.00 1830000.00 1930000.00 1620000.00 1960000.00 37000.00 441000.00 1560000.00 2280000.00 190000.00 247000.00 3250000.00 TG(20:4(5Z,8Z,11Z,14Z)/18:2(9Z,12Z)/20:4(5Z,8Z,11Z,14Z)) (d5)_2 67200.00 TG(20:4(5Z,8Z,11Z,14Z)/20:4(5Z,8Z,11Z,14Z)/20:4(5Z,8Z,11Z,14Z))_1 261000.00 276000.00 126000.00 149000.00 149000.00 146000.00 266000.00 259000.00 99500.00 82200.00 208000.00 262000.00 51100.00 121000.00 325000.00 TG(20:4(5Z,8Z,11Z,14Z)/20:4(5Z,8Z,11Z,14Z)/20:4(5Z,8Z,11Z,14Z))_2 230000.00 225000.00 153000.00 160000.00 181000.00 182000.00 602000.00 608000.00 16700.00 55600.00 201000.00 301000.00 15800.00 21700.00 293000.00 TG(20:4(5Z,8Z,11Z,14Z)/20:4(5Z,8Z,11Z,14Z)/20:4(5Z,8Z,11Z,14Z))_3 46900.00 46400.00 31000.00 57800.00 25100.00 54900.00 TG(20:5(5Z,8Z,11Z,14Z,17Z)/20:5(5Z,8Z,11Z,14Z,17Z)/22:3(10Z,13Z,16Z))[iso3]_1 16300.00 47200.00 42100.00 TG(20:5(5Z,8Z,11Z,14Z,17Z)/20:5(5Z,8Z,11Z,14Z,17Z)/22:3(10Z,13Z,16Z))[iso3]_2 15400.00 34600.00 TG(20:5(5Z,8Z,11Z,14Z,17Z)/20:5(5Z,8Z,11Z,14Z,17Z)/22:3(10Z,13Z,16Z))[iso3]_3 92600.00 94900.00 63600.00 86200.00 98900.00 178000.00 205000.00 62800.00 94700.00 163000.00 TG(20:5(5Z,8Z,11Z,14Z,17Z)/20:5(5Z,8Z,11Z,14Z,17Z)/22:4(7Z,10Z,13Z,16Z))[iso3] 59500.00 64100.00 57900.00 74200.00 65200.00 159000.00 165000.00 55700.00 TG(20:5(5Z,8Z,11Z,14Z,17Z)/22:3(10Z,13Z,16Z)/22:3(10Z,13Z,16Z))[iso3] 117000.00 109000.00 78100.00 78400.00 86900.00 89500.00 174000.00 174000.00 93600.00 124000.00 144000.00 TG(20:5(5Z,8Z,11Z,14Z,17Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/20:5(5Z,8Z,11Z,14Z,17Z)) (d5)_1 50100.00 48500.00 126000.00 126000.00 55900.00 82100.00 TG(20:5(5Z,8Z,11Z,14Z,17Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/20:5(5Z,8Z,11Z,14Z,17Z)) (d5)_2 103000.00 86400.00 76600.00 TG(22:3(10Z,13Z,16Z)/22:3(10Z,13Z,16Z)/22:2(13Z,16Z))[iso3] 94500.00 98600.00 94900.00 104000.00 84400.00 93200.00 104000.00 6720000.00 203000.00 69400.00 4050000.00 85100.00 432000.00 779000.00 83700.00 TG(22:3(10Z,13Z,16Z)/22:5(7Z,10Z,13Z,16Z,19Z)/22:5(7Z,10Z,13Z,16Z,19Z))[iso3] 73200.00 67500.00 TG(22:4(7Z,10Z,13Z,16Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))[iso3] 2920000.00 2490000.00 82200.00 73800.00 76300.00 73400.00 971000.00 989000.00 652000.00 174000.00 1660000.00 2570000.00 627000.00 463000.00 56700.00 Theonellasterol G_1 9950000.00 11000000.00 263000.00 267000.00 274000.00 269000.00 10300000.00 245000.00 9630000.00 9950000.00 9500000.00 9810000.00 265000.00 9220000.00 9140000.00 246000.00 Theonellasterol G_2 838000.00 312000.00 704000.00 521000.00 415000.00 13900.00 689000.00 665000.00 578000.00 518000.00 354000.00 358000.00 552000.00 595000.00 581000.00 555000.00 Theonellasterol G_3 1840000.00 1850000.00 2110000.00 2250000.00 2220000.00 41500.00 1390000.00 1230000.00 1840000.00 1630000.00 331000.00 2190000.00 50900.00 1090000.00 1140000.00 1880000.00 Tricosanedioic acid 335000.00 355000.00 332000.00 340000.00 385000.00 403000.00 465000.00 455000.00 527000.00 546000.00 372000.00 260000.00 353000.00 428000.00 422000.00 253000.00 Trilauroyl-glycerol_1 3090000.00 3320000.00 105000.00 104000.00 83300.00 80900.00 81800.00 87900.00 121000.00 126000.00 4200000.00 92000.00 133000.00 1120000.00 1660000.00 4600000.00 Trilauroyl-glycerol_2 273000.00 301000.00 852000.00 14300.00 746000.00 526000.00 436000.00 457000.00 339000.00 157000.00 113000.00 299000.00 348000.00 285000.00 309000.00 293000.00 Tylosin 541000.00 408000.00 666000.00 829000.00 770000.00 1010000.00 1470000.00 675000.00 1280000.00 580000.00 526000.00 962000.00 864000.00 978000.00 1090000.00 51700.00 undecaprenol 1140000.00 1110000.00 1320000.00 70000000.00 1130000.00 1170000.00 1400000.00 1410000.00 602000.00 594000.00 523000.00 842000.00 1110000.00 1100000.00 1060000.00 1240000.00 Villosin 70700.00 78000.00 77500.00 68800.00 62700.00 64700.00 76300.00 76800.00 1630000.00 1680000.00 2200000.00 52000.00 4430000.00 1440000.00 1780000.00 70700.00 Vomitoxin 280000.00 196000.00 1020000.00 1200000.00 1050000.00 1520000.00 776000.00 1450000.00 25300.00 67600.00 63500.00 210000.00 131000.00 105000.00 MS_METABOLITE_DATA_END #METABOLITES METABOLITES_START metabolite_name retention index quantified m/z PubChem ID KEGG ID (-)-Jolkinol A 0.31 498.2868 42608246 (20S,24S)-24-ethylthornasterol 5.68 478.3895 14077801 (21-Methyl-8Z-pentatriacontene_1 7.76 522.5993 56936079 (21-Methyl-8Z-pentatriacontene_2 8.66 522.5996 56936079 (25S)-5alpha-cholestan-3beta,6alpha,7beta,8beta,15alpha,16beta,26-heptol 1.39 502.3731 52931337 (6RS)-6,19-epidioxy-24,24-difluoro-25-hydroxy-6,19-dihydrovitamin D3 / (6RS)-6,19-epidioxy-24,24-difluoro-25-hydroxy-6,19-dihydrocholecalciferol 0.90 469.3112 1-(10-methylhexadecanyl)-2-(8-[3]-ladderane-octanyl)-sn-glycerophosphocholine 9.21 785.6527 44256606 1-(14-methyl-pentadecanoyl)-2-(8-[3]-ladderane-octanyl)-sn-glycerol_1 7.67 603.5334 24778510 1-(14-methyl-pentadecanoyl)-2-(8-[3]-ladderane-octanyl)-sn-glycerol_2 14.39 603.5334 24778510 1-(6-[5]-ladderane-hexanyl)-2-(8-[3]-ladderane-octanyl)-sn-glycero-3-phospho-(1'-sn-glycerol)_1 6.53 778.5355 42607476 1-(6-[5]-ladderane-hexanyl)-2-(8-[3]-ladderane-octanyl)-sn-glycero-3-phospho-(1'-sn-glycerol)_2 6.89 778.5356 42607476 1-(8-[3]-ladderane-octanoyl)-2-(8-[3]-ladderane-octanyl)-sn-glycerophosphocholine 7.02 816.5914 42607449 1-(8-[3]-ladderane-octanyl)-2-(8-[3]-ladderane-octanyl)-sn-glycero-3-phospho-(1'-sn-glycerol)_1 7.68 808.5821 42607479 1-(8-[3]-ladderane-octanyl)-2-(8-[3]-ladderane-octanyl)-sn-glycero-3-phospho-(1'-sn-glycerol)_2 8.36 808.5819 42607479 1-(8-[3]-ladderane-octanyl)-2-(8-[3]-ladderane-octanyl)-sn-glycero-3-phospho-(1'-sn-glycerol)_3 7.41 808.5821 42607479 1-(8-[3]-ladderane-octanyl)-2-(8-[3]-ladderane-octanyl)-sn-glycero-3-phospho-(1'-sn-glycerol)_4 7.33 808.5814 42607479 1-(8-[5]-ladderane-octanyl)-2-(8-[3]-ladderane-octanyl)-sn-glycero-3-phospho-(1'-sn-glycerol)_1 6.87 806.5675 42607478 1-(8-[5]-ladderane-octanyl)-2-(8-[3]-ladderane-octanyl)-sn-glycero-3-phospho-(1'-sn-glycerol)_2 7.18 806.5683 42607478 1,000.5987 7.49 1,000.5987 1,000.5988 6.88 1,000.5988 1,000.5997 7.18 1,000.5997 1,001.6063_1 7.18 1,001.6063 1,001.6063_2 6.90 1,001.6063 1,001.7716 14.83 1,001.7716 1,002.5990 7.18 1,002.5990 1,002.6127 7.41 1,002.6127 1,002.8543 13.55 1,002.8543 1,002.8552 13.65 1,002.8552 1,003.6079 8.38 1,003.6079 1,003.6109 7.21 1,003.6109 1,003.6264 7.41 1,003.6264 1,003.8495 13.39 1,003.8495 1,003.8506 13.65 1,003.8506 1,004.6214 7.44 1,004.6214 1,004.6361 8.16 1,004.6361 1,005.6340 8.16 1,005.6340 1,005.8745 13.87 1,005.8745 1,006.6342 8.16 1,006.6342 1,006.6468 8.55 1,006.6468 1,006.8734 13.98 1,006.8734 1,006.8738 14.55 1,006.8738 1,007.6310 8.16 1,007.6310 1,007.6481 8.55 1,007.6481 1,007.7082 10.19 1,007.7082 1,007.8751 14.10 1,007.8751 1,009.8966 14.55 1,009.8966 1,011.9092 15.42 1,011.9092 1,011.9097 14.86 1,011.9097 1,012.6892 11.57 1,012.6892 1,012.9319 15.68 1,012.9319 1,012.9328 15.12 1,012.9328 1,013.6981 12.66 1,013.6981 1,013.6983 11.57 1,013.6983 1,013.9263 15.69 1,013.9263 1,013.9284 15.16 1,013.9284 1,014.1608 1.66 1,014.1608 1,014.6659 1.66 1,014.6659 1,015.5999 0.35 1,015.5999 1,015.9518 15.49 1,015.9518 1,015.9521 15.90 1,015.9521 1,016.5990 0.35 1,016.5990 1,017.5997 0.35 1,017.5997 1,017.9371 14.26 1,017.9371 1,018.9379 14.26 1,018.9379 1,022.5762 7.18 1,022.5762 1,022.6889 8.35 1,022.6889 1,023.7570 14.02 1,023.7570 1,025.7785 14.45 1,025.7785 1,026.6220 7.19 1,026.6220 1,026.7771 14.44 1,026.7771 1,026.9812 15.83 1,026.9812 1,027.6211 7.19 1,027.6211 1,027.7896 14.81 1,027.7896 1,027.8533 13.15 1,027.8533 1,028.6360 7.92 1,028.6360 1,028.8703 13.63 1,028.8703 1,029.5767 0.32 1,029.5767 1,029.5910 2.77 1,029.5910 1,029.6385 7.92 1,029.6385 1,029.8725 13.64 1,029.8725 1,030.6430 7.94 1,030.6430 1,030.7044 5.79 1,030.7044 1,031.5858 0.33 1,031.5858 1,031.7097 5.79 1,031.7097 1,035.6655 5.78 1,035.6655 1,036.9320 14.27 1,036.9320 1,037.5836 0.34 1,037.5836 1,037.9321 14.27 1,037.9321 1,039.6799 1.17 1,039.6799 1,039.8217 15.30 1,039.8217 1,041.6882 1.18 1,041.6882 1,043.8244 15.35 1,043.8244 1,044.8184 15.35 1,044.8184 1,045.8303 15.35 1,045.8303 1,047.7566 13.64 1,047.7566 1,048.6103 0.34 1,048.6103 1,048.7541 13.64 1,048.7541 1,049.6262 0.34 1,049.6262 1,049.7711 14.03 1,049.7711 1,050.6284 0.34 1,050.6284 1,050.7727 14.03 1,050.7727 1,050.7891 7.67 1,050.7891 1,051.5151 7.64 1,051.5151 1,051.7749 14.03 1,051.7749 1,051.7899 7.66 1,051.7899 1,051.7901 14.42 1,051.7901 1,051.8053 7.85 1,051.8053 1,051.8534 12.93 1,051.8534 1,052.5181 7.64 1,052.5181 1,052.7784 14.03 1,052.7784 1,052.7944 14.42 1,052.7944 1,052.7961 7.67 1,052.7961 1,053.5721 0.32 1,053.5721 1,053.7990 14.42 1,053.7990 1,053.7994 7.85 1,053.7994 1,053.8001 14.78 1,053.8001 1,054.3012 12.47 1,054.3012 1,054.8066 14.79 1,054.8066 1,054.8079 7.85 1,054.8079 1,055.2928 12.47 1,055.2928 1,055.7481 7.69 1,055.7481 1,055.8135 14.81 1,055.8135 1,055.8142 15.15 1,055.8142 1,056.3013 12.47 1,056.3013 1,056.7446 7.68 1,056.7446 1,057.2955 12.47 1,057.2955 1,060.1724 6.34 1,060.1724 1,061.6514 1.17 1,061.6514 1,061.9276 13.97 1,061.9276 1,062.6539 1.17 1,062.6539 1,063.6707 1.15 1,063.6707 1,067.8594 15.60 1,067.8594 1,068.3569 13.45 1,068.3569 1,069.3517 13.46 1,069.3517 1,070.3484 13.45 1,070.3484 1,070.3486 13.63 1,070.3486 1,071.3460 13.46 1,071.3460 1,071.7307 3.08 1,071.7307 1,071.7612 13.12 1,071.7612 1,071.7639 14.05 1,071.7639 1,072.7610 13.12 1,072.7610 1,072.7635 14.04 1,072.7635 1,073.7783 13.57 1,073.7783 1,073.7788 13.69 1,073.7788 1,075.7843 13.57 1,075.7843 1,075.7856 14.02 1,075.7856 1,076.7900 13.56 1,076.7900 1,076.7905 14.04 1,076.7905 1,076.7906 14.02 1,076.7906 1,077.7959 14.02 1,077.7959 1,077.7973 14.78 1,077.7973 1,078.8014 14.01 1,078.8014 1,078.8050 14.40 1,078.8050 1,079.8138 14.78 1,079.8138 1,079.8140 14.43 1,079.8140 1,080.8241 14.79 1,080.8241 1,080.8898 13.97 1,080.8898 1,081.8361 15.14 1,081.8361 1,081.9046 13.98 1,081.9046 1,082.8319 15.13 1,082.8319 1,082.8339 14.76 1,082.8339 1,084.9306 14.28 1,084.9306 1,092.5874 0.33 1,092.5874 1,093.8338 14.42 1,093.8338 1,093.8344 14.99 1,093.8344 1,095.7570 13.86 1,095.7570 1,096.0499 8.29 1,096.0499 1,096.7572 13.57 1,096.7572 1,096.7574 13.87 1,096.7574 1,097.7732 13.40 1,097.7732 1,097.7739 13.81 1,097.7739 1,097.7756 14.04 1,097.7756 1,098.7762 13.65 1,098.7762 1,098.7776 13.38 1,098.7776 1,099.7953 13.85 1,099.7953 1,100.7995 13.91 1,100.7995 1,101.8054 14.09 1,101.8054 1,101.8070 14.79 1,101.8070 1,105.8450 14.79 1,105.8450 1,124.7991 13.63 1,124.7991 1,128.3152 13.02 1,128.3152 1,129.6491 1.18 1,129.6491 1,130.1333 9.24 1,130.1333 1,130.3138 13.02 1,130.3138 1,131.3225 13.02 1,131.3225 1,132.3166 13.02 1,132.3166 1,142.3759 13.83 1,142.3759 1,143.3680 13.83 1,143.3680 1,144.3760 13.83 1,144.3760 1,148.3348 7.55 1,148.3348 1,148.8357 7.55 1,148.8357 1,149.3542 7.56 1,149.3542 1,159.3227 7.57 1,159.3227 1,159.8353 7.57 1,159.8353 1,160.3360 7.56 1,160.3360 1,161.3517 7.57 1,161.3517 1,184.8551 7.40 1,184.8551 1,190.8892 8.35 1,190.8892 1,191.3944 8.35 1,191.3944 1,191.9037 8.35 1,191.9037 1,194.8160 6.74 1,194.8160 1,195.8166 6.74 1,195.8166 1,201.3951 8.36 1,201.3951 1,201.8825 8.35 1,201.8825 1,202.3728 8.35 1,202.3728 1,203.3433 13.46 1,203.3433 1,204.3340 13.46 1,204.3340 1,205.3276 13.46 1,205.3276 1,206.3384 13.46 1,206.3384 1,2-dihexadecanoyl-sn-glycero-3-phosphosulfocholine_1 6.72 754.5387 42607416 1,2-dihexadecanoyl-sn-glycero-3-phosphosulfocholine_2 6.69 754.5387 42607416 1,2-ditetradecanoyl-sn-glycero-3-phosphosulfocholine 6.25 681.4551 42607418 10-oxo-docosanoic acid_1 2.00 372.3487 5312927 10-oxo-docosanoic acid_2 2.04 372.3455 5312927 10Z-Pentacosene 5.35 368.4266 56936072 11E-Tetradecen-1-ol 0.63 230.2478 1712011 11-Hydroxyprogesterone 11-glucuronide 0.34 524.2871 195612 13-keto-9Z,11E,15Z-octadecatrienoic acid_1 0.47 310.2367 11426350 13-keto-9Z,11E,15Z-octadecatrienoic acid_2 0.68 310.2363 11426350 14-O-(beta-D-glucopyranosyl)-7S,14R-dihydroxy-7,9,13,17-tetramethyl-2E,4E,8E,10E,12E,16E-octadecahexaenoic acid 0.30 523.2912 56936270 15-methyl-15S-PGD2 0.49 384.2735 5283051 16,17-epoxy-DHA 0.99 343.2265 16061141 16:0 Cholesteryl ester 14.75 642.6187 246520 16-Glutaryloxy-1alpha,25-dihydroxyvitamin D3 1.43 547.3609 10940565 16-methyl-6Z,9Z-heptadecadienoic acid_1 0.84 298.2735 5312303 16-methyl-6Z,9Z-heptadecadienoic acid_2 3.42 298.2741 5312303 18:1 Cholesteryl ester 14.73 668.6355 5283632 18:1-Glc-cholesterol 11.90 813.6624 70699288 18:3 Cholesteryl ester 13.81 664.6022 6436907 18:3-Glc-Campesterol_1 8.43 823.6460 70699344 18:3-Glc-Campesterol_2 9.50 823.6429 70699344 18-Oxocortisol 0.45 377.1940 123712 1alpha,25-dihydroxy-19-nor-22-oxavitamin D3 / 1alpha,25-dihydroxy-19-nor-22-oxacholecalciferol 1.24 424.3415 1alpha,25-dihydroxy-21-nor-20-oxavitamin D3 / 1alpha,25-dihydroxy-21-nor-20-oxacholecalciferol 5.01 405.2997 1alpha,25-dihydroxy-2beta-(4-hydroxybutoxy)vitamin D3 / 1alpha,25-dihydroxy-2beta-(4-hydroxybutoxy)cholecalciferol 5.14 505.3895 1alpha-hydroxy-22-[3-(1-hydroxy-1-methylethyl)phenyl]-23,24,25,26,27-pentanorvitamin D3 / 1alpha-hydroxy-22-[3-(1-hydroxy-1-methylethyl)phenyl]-23,24,25,26,27-pentanorcholecalciferol 2.11 482.3632 1beta,3alpha,7alpha,12alpha-Tetrahydroxy-5beta-cholan-24-oic Acid_1 0.84 442.3163 5283893 1beta,3alpha,7alpha,12alpha-Tetrahydroxy-5beta-cholan-24-oic Acid_2 15.54 442.3167 5283893 1beta,3alpha,7alpha,12alpha-Tetrahydroxy-5beta-cholan-24-oic Acid_3 17.89 442.3167 5283893 1beta,3alpha,7alpha,12alpha-Tetrahydroxy-5beta-cholan-24-oic Acid_4 15.90 442.3165 5283893 1-O-[(6'-O-hexadecanoyl)-a-D-glucopyranosyl]-(2-hexadecanoyloxy)-eicosan-1-ol_1 13.64 953.8393 42607341 1-O-[(6'-O-hexadecanoyl)-a-D-glucopyranosyl]-(2-hexadecanoyloxy)-eicosan-1-ol_2 14.56 953.8376 42607341 1-O-[(6'-O-tetradecanoyl)-a-D-glucopyranosyl]-(2-tetradecanoyloxy)-eicosan-1-ol_1 13.58 897.7749 42607342 1-O-[(6'-O-tetradecanoyl)-a-D-glucopyranosyl]-(2-tetradecanoyloxy)-eicosan-1-ol_2 13.82 897.7745 42607342 1-O-[(6'-O-tetradecanoyl)-a-D-glucopyranosyl]-(2-tetradecanoyloxy)-eicosan-1-ol_3 13.84 897.7744 42607342 1-O-alpha-D-glucopyranosyl-(2-hexadecanoyloxy)-eicosan-1-ol 12.89 715.6060 42607338 1-tetradecanyl-2-(8-[3]-ladderane-octanyl)-sn-glycerophosphoethanolamine 6.73 701.5596 42607459 2',4'-Dihydroxychalcone_1 0.36 258.1109 5376979 2',4'-Dihydroxychalcone_2 18.94 258.1106 5376979 2,4-dimethyl-2-eicosenoic acid 1.76 356.3530 5282673 20:2 Cholesteryl ester_1 14.62 694.6478 16061338 20:2 Cholesteryl ester_2 14.29 694.6485 16061338 20:3 Cholesteryl ester 14.33 692.6370 14274976 20:4 Cholesteryl ester_1 13.97 690.6190 6479222 20:4 Cholesteryl ester_2 14.71 673.5912 6479222 20:5 Cholesteryl ester_1 14.27 671.5737 10372299 20:5 Cholesteryl ester_2 13.50 688.5998 10372299 22:1 Stigmasteryl ester 14.72 750.7095 70699325 22:2 Stigmasteryl ester 14.27 748.6943 70699330 22:4 Cholesteryl ester_1 14.34 718.6494 16061341 22:4 Cholesteryl ester_2 13.96 718.6513 16061341 22:5 Cholesteryl ester 14.03 716.6346 42608400 22:6 Cholesteryl ester 13.70 714.6178 14274978 22-deoxy-20,21-dihydroxyecdysone_1 1.66 498.3449 23657821 22-deoxy-20,21-dihydroxyecdysone_2 1.65 498.3441 23657821 24-hydroxy-10Z-tetracosenoic acid 3.50 400.3782 5312782 25-hydroxy-16,17,23,23,24,24-hexadehydrovitamin D3 / 25-hydroxy-16,17,23,23,24,24-hexadehydrocholecalciferol 0.77 412.3204 26,26,26-trifluoro-25-hydroxy-27-norvitamin D3 / 26,26,26-trifluoro-25-hydroxy-27-norcholecalciferol_1 5.43 441.2994 26,26,26-trifluoro-25-hydroxy-27-norvitamin D3 / 26,26,26-trifluoro-25-hydroxy-27-norcholecalciferol_2 5.35 441.2954 26:2(5Z,9Z)(25Me) 4.71 424.4162 52921778 27-nor-campestan-3beta,4beta,5alpha,6alpha,7beta,8beta,14alpha,15alpha,24-nonol 1.97 517.3349 52931370 2-decaprenyl-6-methoxy-1,4-benzoquinone 11.57 819.6662 25010761 2-deoxy-20-hydroxy-5alpha-ecdysone 3-acetate 1.84 524.3605 16755625 2-Hydroxy-24-keto-octacosanolide 5.03 470.4192 56936053 2-methyl-16-heptadecenoic acid_1 1.26 300.2899 5312302 2-methyl-16-heptadecenoic acid_2 2.59 300.2898 5312302 2-methyl-32,35-anhydrobacteriohopanetetrol_1 8.07 560.5020 42608332 2-methyl-32,35-anhydrobacteriohopanetetrol_2 6.82 560.5020 42608332 2-methyl-hexadecanedioic acid_1 5.03 301.2387 9543663 2-methyl-hexadecanedioic acid_2 5.03 301.2367 9543663 2-methyl-tridecanedioic acid 5.03 259.1906 9543658 3,12-dihydroxy palmitic acid_1 1.40 289.2376 125639 3,12-dihydroxy palmitic acid_2 1.40 306.2652 125639 3,12-dihydroxy palmitic acid_3 1.44 306.2626 125639 3,5-Di-O-methyl-8-prenylafzelechin-4beta-ol_1 0.41 387.1805 44257167 3,5-Di-O-methyl-8-prenylafzelechin-4beta-ol_2 0.41 404.2056 44257167 3,6-dioxo-decanoic acid 0.34 218.1389 5312880 3,7,11,15-Tetramethyl-6,10,14-hexadecatrien-1-ol_1 4.60 310.3100 5365870 3,7,11,15-Tetramethyl-6,10,14-hexadecatrien-1-ol_2 9.24 310.3094 5365870 3,7,11,15-Tetramethyl-6,10,14-hexadecatrien-1-ol_3 10.51 310.3093 5365870 36:6(18Z,21Z,24Z,27Z,30Z,33Z) 6.82 542.4911 52921818 3beta-hydroxy-4beta-methyl-5alpha-cholest-7-ene-4alpha-carbaldehyde_1 6.41 429.3738 21145202 3beta-hydroxy-4beta-methyl-5alpha-cholest-7-ene-4alpha-carbaldehyde_2 7.69 429.3744 21145202 3beta-hydroxy-4beta-methyl-5alpha-cholest-7-ene-4alpha-carbaldehyde_3 8.38 429.3739 21145202 3beta-hydroxy-4beta-methyl-5alpha-cholest-7-ene-4alpha-carbaldehyde_4 6.87 429.3740 21145202 3beta-hydroxy-4beta-methyl-5alpha-cholest-7-ene-4alpha-carbaldehyde_5 8.44 429.3737 21145202 3beta-hydroxy-4beta-methyl-5alpha-cholest-7-ene-4alpha-carbaldehyde_6 6.17 429.3741 21145202 3beta-hydroxy-4beta-methyl-5alpha-cholest-7-ene-4alpha-carbaldehyde_7 6.87 429.3739 21145202 3beta-hydroxy-4beta-methyl-5alpha-cholest-7-ene-4alpha-carboxylic acid_1 6.58 445.3684 440507 3beta-hydroxy-4beta-methyl-5alpha-cholest-7-ene-4alpha-carboxylic acid_2 7.15 445.3694 440507 3beta-hydroxy-4beta-methyl-5alpha-cholest-7-ene-4alpha-carboxylic acid_3 8.30 445.3688 440507 3beta-hydroxy-4beta-methyl-5alpha-cholest-7-ene-4alpha-carboxylic acid_4 8.42 445.3687 440507 3beta-hydroxy-4beta-methyl-5alpha-cholest-7-ene-4alpha-carboxylic acid_5 7.56 445.3693 440507 3beta-Hydroxy-5alpha,6alpha-epoxy-9-oxo-9,10-seco-5-cholest-7-en-11-al 1.18 448.3402 24779589 3-Dehydroteasterone 5.95 447.3459 14353979 3-Deoxy-3-azido-25-hydroxyvitamin D3 1.24 426.3468 6439165 3-Deoxyvitamin D3_1 6.89 369.3505 24779628 3-Deoxyvitamin D3_2 13.93 369.3505 24779628 3-Deoxyvitamin D3_3 14.01 369.3508 24779628 3-Deoxyvitamin D3_4 14.26 369.3507 24779628 3-Deoxyvitamin D3_5 14.74 369.3508 24779628 3-Deoxyvitamin D3_6 6.91 369.3536 24779628 3-Deoxyvitamin D3_7 13.96 369.3534 24779628 3-Deoxyvitamin D3_8 14.34 369.3535 24779628 3E,5E-tridecadienoic acid_1 0.41 228.1954 5312396 3E,5E-tridecadienoic acid_2 3.78 228.1956 5312396 3E,5E-tridecadienoic acid_3 4.09 228.1957 5312396 3-O-(alpha-L-rhamnopyranosyl-(1-2)-alpha-L-rhamnopyranosyl)-3-hydroxydecanoic acid 0.40 498.2902 56936290 3-oxoglycyrrhetinic acid 5.96 469.3311 111253 3Z,6Z,9Z,12Z,15Z-Tricosapentaene_1 1.23 332.3316 11427023 3Z,6Z,9Z,12Z,15Z-Tricosapentaene_2 1.35 332.3311 11427023 4,5-epoxy-17R-HDHA 0.92 399.2513 53477506 4,8,12,15,18-eicosapentaenoic acid 1.04 303.2322 5282846 4'-Hydroxy-7-methoxy-8-methylflavan 1.67 288.1612 44257174 4-O-alpha-Cadinylangolensin 1.00 494.3261 44260116 5,14,15-trihydroxy-6,8,10,12-Eicosatetraenoic acid_1 0.45 353.2309 5353726 5,14,15-trihydroxy-6,8,10,12-Eicosatetraenoic acid_2 0.48 370.2572 5353726 5,14,15-trihydroxy-6,8,10,12-Eicosatetraenoic acid_3 0.43 353.2337 5353726 5alpha,9alpha-epidioxy-cholest-7-en-3beta,6alpha-diol 5.68 433.3308 52931298 5-Oxo-ETE-d7 0.51 343.2949 16061124 5S-HETE di-endoperoxide 1.26 403.2318 52921873 6alpha,7alpha-Dihydroxy-3-oxo-5beta-cholan-24-oic Acid 0.42 424.3045 5283921 6Z-Tetradecene 0.57 214.2527 5364500 8-methoxy-13-hydroxy-9,11-octadecadienoic acid 0.57 344.2802 5283022 9,12,15-Octadecatrien-1-ol_1 9.24 282.2795 5367327 9,12,15-Octadecatrien-1-ol_2 8.29 282.2775 5367327 9,12-hexadecadienoic acid_1 3.78 270.2422 5282787 9,12-hexadecadienoic acid_2 4.03 270.2422 5282787 9-deoxy-9-methylene-16,16-dimethyl -PGE2 0.80 396.3116 5283060 9-deoxy-9-methylene-PGE2 0.62 368.2787 5283059 9-hexadecen-1-ol 1.15 258.2794 5283282 alantolactone 0.40 250.1784 72724 Alatanin 2 9.72 832.2424 all-trans-nonaprenyl diphosphate 3.10 808.5394 5280650 alpha,alpha'-Trehalose 6-mycolate_1 7.92 836.6111 44176383 alpha,alpha'-Trehalose 6-mycolate_2 8.15 836.6124 44176383 alpha-tocopherol_1 3.77 431.3870 14985 alpha-tocopherol_2 4.09 431.3871 14985 alpha-tocopherol_3 8.99 431.3899 14985 Ambrettolic acid_1 3.85 271.2268 5282940 Ambrettolic acid_2 4.08 271.2269 5282940 Anandamide (20:l, n-9) 1.49 371.3620 5283452 Antiarone J 0.43 474.2502 42607617 Arachidic acid 1.52 330.3370 10467 Archaetidylglycerol-(glycosyl)-myo-inositol_1 13.57 1,074.7804 53477538 Archaetidylglycerol-(glycosyl)-myo-inositol_2 13.72 1,074.7805 53477538 Archaetidylglycerol-(glycosyl)-myo-inositol_3 14.43 1,074.7825 53477538 Artobiloxanthone 0.38 452.1685 46887866 Axillarenic acid_1 5.02 416.3741 52921865 Axillarenic acid_2 4.74 416.3741 52921865 Behenic acid 2.85 358.3680 8215 Bisdehydro-beta-carotene/ Tetradehydro-beta-carotene 6.58 533.4126 bromovulone I 0.40 425.1339 5283227 Brosimone H 0.30 522.2874 44258293 Butyl 3'-O-butanoyl-4,6,4'-tri-O-(2-methylpropanoyl)-neohesperidoside 7.67 680.3850 56940685 CDP-DG(18:1(9Z)/18:1(9Z)) 7.18 1,023.5821 Cer(d14:1(4E)/24:0(2OH)) 7.35 610.5774 Cer(d14:1(4E)/26:0(2OH)) 8.08 638.6099 Cer(d16:1/17:0) 7.69 524.5044 Cer(d18:1/16:0) 8.07 538.5212 Cer(d18:1/18:0)_1 6.40 566.5490 Cer(d18:1/18:0)_2 8.96 566.5489 Cer(d18:1/18:1(9Z)) 8.12 564.5344 Cer(d18:1/22:0) 11.43 622.6114 Cer(d18:1/23:0) 11.96 636.6314 Cer(d18:1/24:0) 12.41 650.6438 Cer(d18:2/16:0) 7.31 536.5057 Cer(d18:2/18:1) 7.47 562.5217 Cer(d18:2/20:0) 8.96 609.5911 Cer(d18:2/22:0) 8.07 637.6239 Ceriporic acid C_1 0.67 370.2943 9819908 Ceriporic acid C_2 1.44 370.2951 9819908 CerP(d18:1/26:1(17Z)) 11.10 801.6877 Cerulenin 0.36 241.1554 5282054 Chamuvaritin 0.47 453.1683 100418 cholacalcioic acid / 25,26,27-trinorvitamin D3 24-carboxylic acid / 25,26,27-trinorcholecalciferol 24-carboxylic acid 0.48 373.2733 Cholestanyl glucoside 5.41 568.4553 70699280 cholesterol sulfate 6.22 467.3169 65076 Cholic acid_1 0.48 426.3212 221493 Cholic acid_2 10.20 426.3220 221493 Coenzyme Q4 5.70 455.3138 5283545 Coenzyme Q8_1 8.06 744.5901 5283546 Coenzyme Q8_2 8.61 744.5917 5283546 Coenzyme Q9 11.88 812.6522 5280473 Cucurbitacin F 0.41 519.3336 5281320 Cucurbitacin H 0.33 535.3290 441818 Cyanidin 3-(6''-(E)-caffeylsambubioside) 8.83 761.2193 44256747 Cyanidin 3-(6''-caffeyl-6'''-ferulylsophoroside)-5-glucoside 13.02 1,129.3219 44256788 Cyanidin 3-(6''-sinapylsophoroside)-5-glucoside 11.76 980.2834 44256783 Cyanidin 3-galactoside-5-glucoside 4.75 629.1939 44256703 DAT(16:0/21:0(2Me[S],3OH[S],4Me[S],6Me[S])) 12.71 947.7050 Delphinidin 3-glucoside-7,3'-di-(6-(E)-sinapoylglucoside) 13.46 1,202.3348 44256952 delta2-THA 0.48 355.2633 52921827 DG(12:0/20:3(8Z,11Z,14Z)/0:0)[iso2] 8.54 563.4657 DG(12:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/0:0)[iso2] 7.85 602.4787 DG(17:1(9Z)/17:1(9Z)/0:0) 8.69 610.5413 DG(18:0/18:0/0:0)[rac] 11.94 642.6024 DG(18:0/18:1(9Z)/0:0)[iso2]_1 7.38 640.5897 DG(18:0/18:1(9Z)/0:0)[iso2]_2 10.82 640.5873 DG(18:1(11E)/16:0/0:0)_1 6.75 612.5575 DG(18:1(11E)/16:0/0:0)_2 9.50 612.5571 DG(18:1(9Z)/18:2(9Z,12Z)/0:0)[iso2] 8.68 636.5561 DG(18:1(9Z)/20:0/0:0)[iso2] 8.12 668.6196 DG(18:2(9Z,12Z)/18:2(9Z,12Z)/0:0)_1 7.99 634.5417 DG(18:2(9Z,12Z)/18:2(9Z,12Z)/0:0)_2 9.49 617.5134 DG(18:3(9Z,12Z,15Z)/20:0/0:0)[iso2] 11.94 647.5601 DG(18:3(9Z,12Z,15Z)/20:3(8Z,11Z,14Z)/0:0)[iso2] 8.68 641.5133 DG(18:3(9Z,12Z,15Z)/20:4(5Z,8Z,11Z,14Z)/0:0)[iso2] 8.00 639.4987 DG(19:0/20:0/0:0)[iso2] 14.27 667.6202 DG(19:0/20:1(11Z)/0:0)[iso2] 13.80 665.6105 DG(19:0/22:3(10Z,13Z,16Z)/0:0)[iso2] 14.16 706.6373 DG(20:0/20:1(11Z)/0:0)[iso2] 8.96 696.6493 DG(20:1(11Z)/20:1(11Z)/0:0) 13.97 694.6315 DG(20:2(11Z,14Z)/21:0/0:0)[iso2] 13.95 691.6263 DG(20:2(11Z,14Z)/22:0/0:0)[iso2] 14.17 705.6406 DG(20:5(5Z,8Z,11Z,14Z,17Z)/22:5(7Z,10Z,13Z,16Z,19Z)/0:0)[iso2] 7.39 706.5391 DG(21:0/22:2(13Z,16Z)/0:0)[iso2] 14.33 719.6549 DG(21:0/22:3(10Z,13Z,16Z)/0:0)[iso2] 14.03 717.6362 DG(21:0/22:4(7Z,10Z,13Z,16Z)/0:0)[iso2] 13.70 715.6241 DG(21:0/22:5(7Z,10Z,13Z,16Z,19Z)/0:0)[iso2] 5.51 730.6324 DG(22:1(13Z)/22:3(10Z,13Z,16Z)/0:0)[iso2] 13.92 729.6403 DG(22:3(10Z,13Z,16Z)/22:5(7Z,10Z,13Z,16Z,19Z)/0:0)[iso2] 12.60 738.6032 DG(22:5(7Z,10Z,13Z,16Z,19Z)/22:5(7Z,10Z,13Z,16Z,19Z)/0:0) 8.20 734.5737 DG(22:5(7Z,10Z,13Z,16Z,19Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/0:0)[iso2] 7.43 732.5560 DG(22:6(4Z,7Z,10Z,13Z,16Z,19Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/0:0) 6.86 730.5379 DGTA(18:1/22:4(10Z,13Z,16Z,19Z))_1 9.24 803.6530 DGTA(18:1/22:4(10Z,13Z,16Z,19Z))_2 14.19 803.6529 Dichotellate A 5.37 419.3158 52921874 Digitoxigenin 1.44 375.2522 4369270 Dihydromenaquinone-8 13.71 719.5733 Diketospirilloxanthin/ 2,2'-Diketospirilloxanthin 6.87 625.4224 Docosanedioic acid_1 5.03 371.3153 244872 Docosanedioic acid_2 5.03 388.3440 244872 Docosanedioic acid_3 5.05 388.3409 244872 dolichyl-4-D-xylosyl phosphate 1.98 573.3556 70698924 ecdysone palmitate 7.17 720.5758 439785 Epiafzelechin 3-O-beta-D-allopyranoside 0.47 454.1724 44257057 Epimedokoreanoside I 12.40 923.3168 44259076 Epothilone B_1 2.49 508.2734 448013 Epothilone B_2 1.03 508.2743 448013 Epothilone B_3 1.58 508.2739 448013 Epothilone B_4 1.97 508.2742 448013 Erucicoyl-EA 2.84 399.3954 6436482 Erythynone 0.37 425.1591 14704460 Formononetin 7-O-(6''-acetylglcoside) 0.39 473.1443 44257222 GlcCer(d14:1(4E)/24:1(15Z)(2OH)) 8.76 770.6109 GlcCer(d14:2(4E,6E)/20:0(2OH))_1 9.07 731.5777 GlcCer(d14:2(4E,6E)/20:0(2OH))_2 9.79 731.5783 GlcCer(d15:2(4E,6E)/20:0(2OH)) 8.06 745.5935 GlcCer(d15:2(4E,6E)/22:0(2OH)) 8.93 773.6231 GlcCer(d18:1/14:0) 11.86 689.5688 GlcCer(d18:1/16:0)_1 7.59 700.5738 GlcCer(d18:1/16:0)_2 12.73 717.5995 GlcCer(d18:1/23:0) 11.68 815.7057 GlcCer(d18:1/24:1(15Z)) 14.40 827.7056 GlcCer(d18:1/26:0) 15.19 857.7559 GlcNalpha1-6Ins-1-P-Cer(t18:0/26:0) 13.37 1,099.7740 Glycinoprenol-9 11.96 637.6305 9547193 Glycocholic Acid_1 0.35 483.3447 10140 Glycocholic Acid_2 0.38 466.3169 10140 Glycocholic Acid_3 6.21 483.3446 10140 Heneicosanedioic acid_1 1.07 374.3267 9543668 Heneicosanedioic acid_2 5.08 374.3269 9543668 Hexacosanedioic acid 6.01 444.4027 9543670 Hydrocortisone caproate 1.63 461.2896 107423 Hydroxyphthioceranic acid (C37)_1 8.28 584.5989 52921755 Hydroxyphthioceranic acid (C37)_2 9.24 584.5974 52921755 Hydroxyphthioceranic acid (C39) 9.24 612.6302 52921756 Hydroxyphthioceranic acid (C42) 8.28 637.6476 52921758 Hydroxyphthioceranic acid (C46) 10.50 693.7102 52921761 Isoamoritin 2.49 507.2743 42607986 Kazinol H 0.42 461.2706 44257177 LacCer(d18:1/14:0)_1 7.19 834.5937 LacCer(d18:1/14:0)_2 8.55 834.5943 Lamioside 0.48 438.1969 443328 L-Olivosyl-oleandolide 0.40 534.3267 443565 Loroxanthin ester/ Loroxanthin dodecenoate 9.91 782.6116 makisterone B_1 2.33 512.3591 441830 makisterone B_2 2.17 512.3592 441830 Malonylmalvin 8.83 759.2209 44256993 Megalomicin A 6.86 877.5652 31864 Megalomicin C1_1 9.09 978.6144 443562 Megalomicin C1_2 7.63 978.6131 443562 Megalomicin C1_3 7.00 978.6101 443562 Megalomicin C1_4 7.60 978.6136 443562 Menaquinone-9 9.24 802.6492 6289935 methyl 8-[3,5-epidioxy-2-(3-hydroperoxy-1-pentenyl)-cyclopentyl]-octanoate 0.85 414.2867 5282889 methyl 9-butylperoxy-10,12-octadecadienoate_1 1.28 400.3434 5282871 methyl 9-butylperoxy-10,12-octadecadienoate_2 1.77 400.3435 5282871 methyl-10-hydroperoxy-8E,12Z,15Z-octadecatrienoate 0.51 342.2648 5282873 MGDG(18:2(9Z,12Z)/18:3(9Z,12Z,15Z))_1 7.56 777.5526 MGDG(18:2(9Z,12Z)/18:3(9Z,12Z,15Z))_2 7.56 777.5499 MGDG(18:3(9Z,12Z,15Z)/16:3(7Z,10Z,13Z)) 7.30 764.5275 Minabeolide-2 3.09 484.3046 MIPC(t18:0/16:0(2OH))_1 7.00 976.5976 MIPC(t18:0/16:0(2OH))_2 7.40 976.5982 MIPC(t18:0/16:0(2OH))_3 8.22 976.5971 N-(2'-(4-benzenesulfonamide)-ethyl) arachidonoyl amine_1 1.03 504.3247 5283434 N-(2'-(4-benzenesulfonamide)-ethyl) arachidonoyl amine_2 1.97 504.3236 5283434 N-(2'-(4-benzenesulfonamide)-ethyl) arachidonoyl amine_3 0.61 487.3009 5283434 N-docosanoyl taurine 1.22 448.3444 42607333 Neolinderachalcone 1.02 529.3289 42607600 Neolinderatin_1 2.10 548.3708 42607685 Neolinderatin_2 2.09 548.3712 42607685 Neoraunone 0.46 325.1056 44257377 NeuAcalpha2-3Galbeta-Cer(d18:1/16:0) 1.66 991.6685 N-heptanoyl-homoserine lactone 0.37 214.1419 443437 N-oleoyl tyrosine 5.35 463.3512 52922062 Norselic acid E 0.42 512.3365 44557652 N-stearoyl glutamine_1 3.78 430.3636 52922074 N-stearoyl glutamine_2 4.09 430.3638 52922074 N-stearoyl taurine_1 3.78 409.3114 168274 N-stearoyl taurine_2 4.07 409.3114 168274 O-butanoyl-carnitine 0.36 232.1541 213144 OH-Demethylspheroidenone 6.93 587.4450 16061311 Okanin 4-methyl ether 4'-O-(2''-O-caffeoyl-6''-O-acetylglucoside) 8.09 686.2052 42607579 oleanolic acid 3-O-beta-D-glucosiduronic acid 5.33 633.3994 56940675 Oxytetracycline 5.23 478.1798 54675779 PA(13:0/18:2(9Z,12Z)) 9.70 648.4607 PA(14:0/18:1(9Z)) 7.52 664.4900 PA(14:1(9Z)/22:2(13Z,16Z)) 7.68 716.5240 PA(15:0/20:3(8Z,11Z,14Z)) 6.33 685.4817 PA(16:0/22:1(11Z)) 8.63 748.5855 PA(16:0/22:2(13Z,16Z))_1 7.81 746.5699 PA(16:0/22:2(13Z,16Z))_2 9.24 746.5699 PA(16:1(9Z)/22:2(13Z,16Z))_1 7.19 744.5526 PA(16:1(9Z)/22:2(13Z,16Z))_2 8.48 744.5509 PA(16:1(9Z)/22:4(7Z,10Z,13Z,16Z)) 7.50 740.5211 PA(17:0/22:2(13Z,16Z))_1 8.20 760.5839 PA(17:0/22:2(13Z,16Z))_2 12.61 743.5601 PA(17:1(9Z)/22:2(13Z,16Z)) 7.55 758.5679 PA(18:0/18:1(9Z))_1 9.24 720.5541 PA(18:0/18:1(9Z))_2 7.79 720.5539 PA(18:0/18:2(9Z,12Z)) 8.33 718.5392 PA(18:0/20:4(5Z,8Z,11Z,14Z)) 7.69 742.5412 PA(18:0/22:2(13Z,16Z)) 8.64 774.6031 PA(18:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z)) 7.53 766.5362 PA(18:1(9Z)/0:0)_1 1.72 454.2931 PA(18:1(9Z)/0:0)_2 4.82 454.2934 PA(18:1(9Z)/22:2(13Z,16Z)) 7.95 772.5837 PA(18:1(9Z)/22:4(7Z,10Z,13Z,16Z))_1 7.05 768.5544 PA(18:1(9Z)/22:4(7Z,10Z,13Z,16Z))_2 7.02 768.5545 PA(18:2(9Z,12Z)/22:2(13Z,16Z))_1 7.22 770.5706 PA(18:2(9Z,12Z)/22:2(13Z,16Z))_2 8.28 753.5458 PA(18:4(6Z,9Z,12Z,15Z)/0:0) 0.43 431.2198 PA(19:0/22:2(13Z,16Z)) 9.09 788.6176 PA(19:0/22:4(7Z,10Z,13Z,16Z)) 7.59 784.5887 PA(19:1(9Z)/0:0) 0.90 468.3096 PA(19:1(9Z)/22:4(7Z,10Z,13Z,16Z))_1 7.00 782.5701 PA(19:1(9Z)/22:4(7Z,10Z,13Z,16Z))_2 7.40 782.5708 PA(20:0/22:2(13Z,16Z)) 9.62 802.6350 PA(20:0/22:4(7Z,10Z,13Z,16Z))_1 7.91 798.5973 PA(20:0/22:4(7Z,10Z,13Z,16Z))_2 8.34 798.5969 PA(20:1(11Z)/0:0)_1 1.21 482.3242 PA(20:1(11Z)/0:0)_2 3.22 482.3233 PA(20:1(11Z)/0:0)_3 2.93 482.3232 PA(20:1(11Z)/0:0)_4 5.34 482.3240 PA(20:1(11Z)/22:2(13Z,16Z)) 8.79 800.6130 PA(20:1(11Z)/22:4(7Z,10Z,13Z,16Z)) 7.78 796.5872 PA(20:1(11Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)) 6.86 792.5505 PA(20:2(11Z,14Z)/0:0) 1.92 480.3101 PA(20:2(11Z,14Z)/22:4(7Z,10Z,13Z,16Z)) 7.04 794.5672 PA(20:3(8Z,11Z,14Z)/0:0) 1.22 478.2944 PA(20:3(8Z,11Z,14Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)) 6.82 788.5216 PA(20:4(5Z,8Z,11Z,14Z)/0:0) 0.54 459.2514 PA(20:5(5Z,8Z,11Z,14Z,17Z)/0:0) 0.54 474.2607 PA(21:0/22:1(11Z)) 11.58 818.6650 PA(21:0/22:4(7Z,10Z,13Z,16Z)) 8.55 812.6203 PA(22:0/22:4(7Z,10Z,13Z,16Z)) 8.99 826.6336 PA(22:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z)) 7.76 822.6013 PA(22:1(11Z)/0:0) 2.30 510.3568 PA(22:1(11Z)/22:4(7Z,10Z,13Z,16Z)) 8.59 824.6189 PA(22:2(13Z,16Z)/0:0) 1.34 508.3380 PA(22:2(13Z,16Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)) 7.18 818.5667 PA(O-16:0/21:0) 7.42 705.5802 PA(O-16:0/22:4(7Z,10Z,13Z,16Z)) 8.91 728.5554 PA(O-16:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z)) 7.88 724.5251 PA(O-18:0/18:4(6Z,9Z,12Z,15Z)) 8.06 700.5289 PA(O-18:0/19:1(9Z))_1 6.73 703.5650 PA(O-18:0/19:1(9Z))_2 8.77 720.5902 PA(O-18:0/19:1(9Z))_3 9.87 703.5630 PA(O-18:0/19:1(9Z))_4 11.48 703.5648 PA(O-18:0/20:3(8Z,11Z,14Z))_1 9.08 730.5755 PA(O-18:0/20:3(8Z,11Z,14Z))_2 9.79 730.5737 PA(O-18:0/20:5(5Z,8Z,11Z,14Z,17Z)) 7.67 709.5170 PA(O-18:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z))_1 8.70 752.5568 PA(O-18:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z))_2 8.67 752.5565 PA(O-20:0/16:0) 7.03 691.5661 PA(O-20:0/17:2(9Z,12Z)) 8.62 718.5758 PA(O-20:0/20:5(5Z,8Z,11Z,14Z,17Z)) 8.86 754.5770 PA(O-20:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z))_1 7.68 763.5660 PA(O-20:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z))_2 8.84 780.5908 PA(O-20:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z))_3 9.70 780.5899 PA(P-16:0/12:0) 6.04 594.4504 PA(P-16:0/13:0) 6.44 608.4646 PA(P-18:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z)) 7.85 750.5407 PA(P-20:0/19:1(9Z)) 8.74 746.6079 PA(P-20:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z)) 8.56 778.5762 PC(10:0/21:0) 8.20 737.5780 PC(10:0/23:0)_1 5.04 765.6131 PC(10:0/23:0)_2 9.10 765.6116 PC(10:0/23:0)_3 4.51 765.6127 PC(13:0/20:3(8Z,11Z,14Z)) 6.89 759.5681 PC(13:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z)) 6.93 781.5528 PC(15:0/0:0) 1.66 499.3492 PC(15:0/18:1(11Z)) 8.20 763.5967 PC(15:0/18:2(9Z,12Z)) 7.55 761.5791 PC(15:1(9Z)/22:2(13Z,16Z)) 8.55 815.6285 PC(16:0/18:2(10E,12Z)) 7.95 775.5976 PC(16:0/22:4(7Z,10Z,13Z,16Z)) 8.17 810.6036 PC(16:1(9Z)/2:0) 0.50 536.3348 PC(17:0/18:1(9Z)) 9.09 791.6301 PC(17:0/20:4(5Z,8Z,11Z,14Z))_1 5.35 813.6119 PC(17:0/20:4(5Z,8Z,11Z,14Z))_2 8.17 813.6111 PC(17:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z)) 7.92 837.6110 PC(17:1(10Z)/0:0) 1.84 525.3641 PC(17:2(9Z,12Z)/0:0) 1.17 523.3493 PC(18:0/18:0)_1 5.40 807.6555 PC(18:0/18:0)_2 5.35 807.6556 PC(18:0/20:2(11Z,14Z)) 9.19 814.6344 PC(18:0/22:3(10Z,13Z,16Z))_1 9.10 840.6438 PC(18:0/22:3(10Z,13Z,16Z))_2 9.11 840.6473 PC(18:0/22:4(7Z,10Z,13Z,16Z))_1 8.77 838.6341 PC(18:0/22:4(7Z,10Z,13Z,16Z))_2 9.02 838.6343 PC(18:1(11Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)) 7.19 832.5852 PC(18:2(2E,4E)/0:0) 1.17 520.3410 PC(18:2(9Z,12E)/17:2(9Z,11E))_1 7.00 785.5795 PC(18:2(9Z,12E)/17:2(9Z,11E))_2 4.80 785.5801 PC(18:2(9Z,12Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))_1 6.69 830.5708 PC(18:2(9Z,12Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))_2 7.42 830.5729 PC(18:3(6Z,9Z,12Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)) 6.29 828.5534 PC(18:3(9Z,12Z,15Z)/0:0) 0.86 518.3236 PC(19:0/18:0) 11.57 821.6734 PC(19:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z)) 8.31 848.6163 PC(19:3(10Z,13Z,16Z)/0:0) 1.43 549.3656 PC(20:1(11Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)) 7.88 860.6136 PC(20:2(11Z,14Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)) 7.26 858.6031 PC(20:3(8Z,11Z,14Z)/0:0) 1.43 546.3544 PC(20:5(5Z,8Z,11Z,14Z,17Z)/0:0) 0.81 542.3231 PC(22:1(11Z)/0:0) 4.69 578.4200 PC(22:1(11Z)/22:2(13Z,16Z)) 14.43 896.7142 PC(22:4(7Z,10Z,13Z,16Z)/0:0) 1.78 572.3700 PC(22:4(7Z,10Z,13Z,16Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)) 7.68 882.5971 PC(22:6(4Z,7Z,10Z,13Z,16Z,19Z)/0:0) 1.01 568.3388 PC(22:6(4Z,7Z,10Z,13Z,16Z,19Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)) 6.86 878.5654 PC(6:2(3E,5E)/14:2(11E,13E)) 0.45 558.3175 PC(O-1:0/16:0)_1 2.76 527.3813 PC(O-1:0/16:0)_2 3.10 527.3813 PC(O-14:0/2:0) 1.66 496.3404 PC(O-16:0/15:1(9Z)) 7.03 721.5822 PC(O-16:0/18:3(6Z,9Z,12Z)) 7.91 742.5718 PC(O-16:0/2:0)_1 2.76 524.3719 PC(O-16:0/2:0)_2 3.10 524.3726 PC(O-16:0/2:0)_3 3.66 541.3965 PC(O-16:0/2:0)_4 3.99 541.3965 PC(O-16:0/20:2(11Z,14Z)) 8.93 772.6231 PC(O-16:0/20:5(5Z,8Z,11Z,14Z,17Z)) 7.73 766.5781 PC(O-16:0/22:2(13Z,16Z)) 10.03 800.6550 PC(O-16:0/22:5(7Z,10Z,13Z,16Z,19Z)) 7.86 794.6090 PC(O-16:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z)) 7.62 792.5931 PC(O-16:0/3:0)_1 3.66 538.3858 PC(O-16:0/3:0)_2 3.99 538.3861 PC(O-16:0/3:1(2E)) 2.47 536.3700 PC(O-16:0/4:0)_1 4.66 552.4022 PC(O-16:0/4:0)_2 4.59 552.4021 PC(O-16:0/4:0)_3 3.44 552.4014 PC(O-16:0/5:0) 5.17 566.4202 PC(O-16:0/6:0) 5.62 580.4310 PC(O-16:0/O-2:0) 3.80 510.3895 PC(O-16:1(11Z)/0:0) 2.04 480.3447 PC(O-16:1(11Z)/2:0) 1.84 522.3559 PC(O-18:0/20:4(5E,8E,11E,14E))_1 8.51 796.6209 PC(O-18:0/20:4(5E,8E,11E,14E))_2 8.72 796.6202 PC(O-18:0/22:4(7Z,10Z,13Z,16Z))_1 9.73 824.6530 PC(O-18:0/22:4(7Z,10Z,13Z,16Z))_2 9.46 824.6532 PC(O-18:0/22:4(7Z,10Z,13Z,16Z))_3 9.46 824.6535 PC(O-18:0/22:5(4Z,7Z,10Z,13Z,16Z))_1 8.43 822.6352 PC(O-18:0/22:5(4Z,7Z,10Z,13Z,16Z))_2 9.50 822.6342 PC(O-18:0/22:5(4Z,7Z,10Z,13Z,16Z))_3 9.08 822.6359 PC(O-18:0/O-2:0) 5.10 538.4216 PC(O-18:1(10E)/2:0)_1 2.94 550.3866 PC(O-18:1(10E)/2:0)_2 3.24 550.3864 PC(O-18:1(11Z)/0:0)_1 2.32 508.3771 PC(O-18:1(11Z)/0:0)_2 3.67 508.3768 PC(O-20:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z))_1 9.34 848.6532 PC(O-20:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z))_2 8.72 848.6544 PC(O-20:0/O-20:0) 14.23 835.7618 PC(O-8:0/O-8:0) 2.10 482.3585 PC(P-16:0/14:1(9Z)) 6.82 705.5527 PC(P-16:0/15:1(9Z)) 7.18 719.5730 PC(P-18:0/17:2(9Z,12Z)) 8.29 773.6142 PC(P-18:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z)) 8.25 818.6084 PC(P-20:0/17:2(9Z,12Z)) 9.24 801.6457 PC(P-20:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z)) 9.13 846.6407 PE(20:3(8Z,11Z,14Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)) 7.18 831.5615 PE(20:4(5Z,8Z,11Z,14Z)/0:0) 1.14 502.2940 PE(22:4(7Z,10Z,13Z,16Z)/0:0) 1.10 547.3491 PE(22:6(4Z,7Z,10Z,13Z,16Z,19Z)/0:0) 1.04 526.2916 PE(O-16:0/18:3(9Z,12Z,15Z)) 6.52 717.5533 PE(P-16:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z))_1 7.62 748.5289 PE(P-16:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z))_2 8.44 765.5518 PE(P-18:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z)) 8.41 776.5615 PE(P-18:1(9Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))_1 5.75 791.5665 PE(P-18:1(9Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))_2 7.63 774.5441 PE(P-20:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z)) 9.31 804.5921 PE-Cer(d16:2(4E,6E)/24:1(15Z)(2OH)) 8.29 774.6137 Pelargonidin 3-(6-(malonyl)glucoside)-7-(6-(4-(glucosyl)-p-hydroxybenzoyl)glucoside) 11.76 981.2748 44256691 Peonidin 3-rutinoside 6.46 627.2131 44256842 Peridinin 4.84 648.3909 5289155 Persin_1 1.07 398.3265 5283266 Persin_2 1.43 398.3263 5283266 PG(10:0/10:0)_1 1.98 572.3575 PG(10:0/10:0)_2 1.09 572.3571 PG(12:0/18:3(6Z,9Z,12Z)) 6.33 689.4400 PG(14:0/14:0)_1 6.33 667.4558 PG(14:0/14:0)_2 6.33 684.4784 PG(14:1(9Z)/14:1(9Z)) 6.25 680.4519 PG(14:1(9Z)/22:2(13Z,16Z)) 8.43 773.5318 PG(15:0/0:0) 0.49 488.2970 PG(15:0/22:0) 7.63 793.5920 PG(16:0/0:0)_1 1.98 502.3154 PG(16:0/0:0)_2 1.03 502.3161 PG(16:0/0:0)_3 1.60 502.3150 PG(16:0/22:2(13Z,16Z)) 6.36 820.6022 PG(16:1(9Z)/22:2(13Z,16Z))_1 6.36 818.5871 PG(16:1(9Z)/22:2(13Z,16Z))_2 5.59 818.5879 PG(16:1(9Z)/22:2(13Z,16Z))_3 5.61 818.5875 PG(17:0/0:0) 1.97 516.3315 PG(17:0/14:1(9Z)) 7.67 724.5151 PG(17:0/22:0) 8.42 821.6299 PG(17:0/22:1(11Z)) 7.61 819.6118 PG(17:1(9Z)/0:0) 0.48 514.3163 PG(18:0/0:0)_1 2.49 530.3464 PG(18:0/0:0)_2 1.59 530.3475 PG(18:0/0:0)_3 1.98 530.3474 PG(18:0/18:0) 8.56 779.5774 PG(18:1(9Z)/22:4(7Z,10Z,13Z,16Z))_1 6.44 842.5881 PG(18:1(9Z)/22:4(7Z,10Z,13Z,16Z))_2 6.93 842.5886 PG(18:3(6Z,9Z,12Z)/0:0)_1 1.03 507.2700 PG(18:3(6Z,9Z,12Z)/0:0)_2 1.58 507.2700 PG(18:3(6Z,9Z,12Z)/0:0)_3 1.96 507.2701 PG(18:3(6Z,9Z,12Z)/0:0)_4 1.51 507.2740 PG(19:0/0:0)_1 4.48 527.3359 PG(19:0/0:0)_2 3.85 544.3611 PG(19:0/0:0)_3 4.34 544.3611 PG(19:0/0:0)_4 4.37 544.3612 PG(19:0/0:0)_5 4.28 527.3358 PG(20:3(8Z,11Z,14Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)) 1.05 862.5577 PG(22:0/12:0) 8.43 768.5757 PG(22:1(11Z)/0:0) 1.04 584.3918 PG(O-16:0/17:2(9Z,12Z))_1 7.67 736.5452 PG(O-16:0/17:2(9Z,12Z))_2 7.67 736.5470 PG(O-16:0/17:2(9Z,12Z))_3 13.71 736.5486 PG(O-18:0/14:0) 7.43 726.5659 PG(O-18:0/18:3(6Z,9Z,12Z))_1 7.34 776.5816 PG(O-18:0/18:3(6Z,9Z,12Z))_2 6.65 776.5785 PG(O-18:0/18:3(6Z,9Z,12Z))_3 6.65 776.5817 PG(O-18:0/18:4(6Z,9Z,12Z,15Z))_1 6.29 774.5624 PG(O-18:0/18:4(6Z,9Z,12Z,15Z))_2 6.81 774.5629 PG(O-18:0/18:4(6Z,9Z,12Z,15Z))_3 5.75 774.5632 PG(O-18:0/21:0) 7.85 807.6441 PG(O-18:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z)) 7.39 826.5987 PG(P-16:0/14:1(9Z)) 7.67 694.5017 PG(P-16:0/15:1(9Z)) 7.66 708.5143 PGF2alpha isopropyl ester 1.42 414.3219 5283077 Phalluside-1 7.91 743.5792 52931250 PI(13:0/22:2(13Z,16Z)) 7.59 849.5464 PI(14:0/0:0) 0.30 545.2713 PI(14:0/22:2(13Z,16Z)) 7.67 880.5952 PI(14:0/22:4(7Z,10Z,13Z,16Z))_1 6.87 859.5351 PI(14:0/22:4(7Z,10Z,13Z,16Z))_2 6.86 876.5556 PI(14:1(9Z)/22:4(7Z,10Z,13Z,16Z)) 6.95 857.5178 PI(15:0/22:2(13Z,16Z))_1 1.99 877.5789 PI(15:0/22:2(13Z,16Z))_2 2.49 877.5774 PI(15:0/22:2(13Z,16Z))_3 1.51 877.5771 PI(15:0/22:2(13Z,16Z))_4 1.55 877.5771 PI(16:0/18:1(9Z)) 6.53 854.5714 PI(16:1(9Z)/22:2(13Z,16Z)) 7.85 906.6072 PI(16:1(9Z)/22:4(7Z,10Z,13Z,16Z)) 6.88 902.5782 PI(17:0/20:4(5Z,8Z,11Z,14Z)) 7.40 873.5518 PI(17:1(9Z)/22:2(13Z,16Z))_1 5.72 920.6213 PI(17:1(9Z)/22:2(13Z,16Z))_2 6.41 920.6210 PI(17:2(9Z,12Z)/22:4(7Z,10Z,13Z,16Z))_1 7.18 897.5460 PI(17:2(9Z,12Z)/22:4(7Z,10Z,13Z,16Z))_2 2.01 897.5452 PI(18:0/20:4(5Z,8Z,11Z,14Z)) 7.53 904.5905 PI(18:0/22:2(13Z,16Z)) 4.32 919.6297 PI(18:1(9Z)/22:4(7Z,10Z,13Z,16Z)) 8.20 930.6022 PI(20:1(11Z)/22:4(7Z,10Z,13Z,16Z)) 9.10 958.6360 PI(20:1(11Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))_1 7.56 954.6094 PI(20:1(11Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))_2 8.21 954.6097 PI(20:2(11Z,14Z)/22:4(7Z,10Z,13Z,16Z))_1 9.10 956.6269 PI(20:2(11Z,14Z)/22:4(7Z,10Z,13Z,16Z))_2 8.21 956.6262 PI(21:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z)) 6.26 953.6151 PI(22:1(11Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)) 8.36 982.6346 PI(22:2(13Z,16Z)/22:4(7Z,10Z,13Z,16Z)) 9.09 984.6503 PI(22:2(13Z,16Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))_1 7.59 980.6218 PI(22:2(13Z,16Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))_2 7.57 980.6181 PI(O-18:0/18:4(6Z,9Z,12Z,15Z)) 6.16 845.5538 PI(P-18:0/0:0) 0.43 585.3377 PI-Cer(d18:0/18:0) 6.91 810.5817 PI-Cer(t18:0/16:0(2OH))_1 6.69 831.5714 PI-Cer(t18:0/16:0(2OH))_2 7.41 831.5737 Plakoside A 13.64 948.7869 42608353 Prebarbigerone 0.48 411.1790 14730816 prednisone 0.51 359.1837 5865 Presqualene diphosphate_1 4.53 587.3252 6449797 Presqualene diphosphate_2 5.40 587.3251 6449797 PS(10:0/10:0) 0.47 568.3243 PS(12:0/0:0) 0.47 459.2468 PS(12:0/17:2(9Z,12Z)) 6.33 690.4375 PS(14:1(9Z)/22:2(13Z,16Z)) 5.46 803.5559 PS(19:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z)) 8.21 850.5600 PS(20:0/22:1(11Z)) 13.61 891.6825 PS(20:2(11Z,14Z)/22:4(7Z,10Z,13Z,16Z)) 7.67 881.6008 PS(20:4(5Z,8Z,11Z,14Z)/0:0) 0.84 546.2802 PS(20:5(5Z,8Z,11Z,14Z,17Z)/0:0) 0.32 544.2692 PS(21:0/22:0) 7.85 907.7074 PS(22:0/12:0) 9.24 781.5737 PS(22:0/22:1(11Z)) 13.60 919.7083 PS(22:1(11Z)/0:0)_1 3.86 580.3582 PS(22:1(11Z)/0:0)_2 4.09 580.3582 PS(22:2(13Z,16Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)) 7.53 905.5979 PS(22:6(4Z,7Z,10Z,13Z,16Z,19Z)/0:0) 1.66 587.3079 PS(O-16:0/12:0) 7.67 666.4673 PS(O-16:0/22:1(11Z)) 7.88 821.6345 PS(O-18:0/20:3(8Z,11Z,14Z)) 11.88 817.6097 PS(O-20:0/0:0) 1.99 540.3649 PS(O-20:0/22:4(7Z,10Z,13Z,16Z)) 8.16 854.6312 PS(P-16:0/12:0)_1 7.67 664.4562 PS(P-16:0/12:0)_2 7.67 681.4818 PS(P-16:0/14:1(9Z)) 7.67 707.4946 PS(P-16:0/15:1(9Z)) 7.67 721.5091 PS-NAc(18:0/18:1(9Z)/16:0) 14.81 1,028.7918 Quercetin 3-(6''''-ferulylsophorotrioside) 11.76 982.2810 44259201 Scillirosidin 0.47 460.2711 12315397 SLBPA(54:3) 15.16 1,056.8233 56940665 SM(d16:1/17:0)_1 7.03 689.5603 SM(d16:1/17:0)_2 7.43 706.5852 SM(d16:1/17:0)_3 13.67 706.5848 SM(d16:1/23:0) 9.73 773.6542 SM(d17:1/24:1) 9.58 799.6679 SM(d18:0/16:0)_1 7.74 705.5885 SM(d18:0/16:0)_2 11.28 705.5876 SM(d18:0/16:0)_3 13.68 705.5870 SM(d18:0/18:0)_1 8.26 733.6183 SM(d18:0/18:0)_2 12.29 733.6199 SM(d18:0/26:0) 14.22 862.7725 SM(d18:1/14:0) 6.67 675.5447 SM(d18:1/16:0) 7.42 703.5749 SM(d18:1/17:0) 7.84 717.5915 SM(d18:1/18:0) 8.25 731.6077 SM(d18:1/18:1(9Z)) 7.48 729.5931 SM(d18:1/24:1(15Z)) 10.19 813.6871 SM(d18:1/25:0) 13.54 846.7459 SM(d18:2/18:1)_1 6.88 727.5767 SM(d18:2/18:1)_2 7.72 727.5765 SM(d18:2/24:1) 9.13 811.6656 Sphenostylin D_1 0.40 403.1736 13946356 Sphenostylin D_2 0.40 420.2005 13946356 spinosic acid A 8.04 490.3878 16722139 Stearoylcarnitine_1 2.28 428.3718 6426855 Stearoylcarnitine_2 3.21 428.3753 6426855 Stearoylcarnitine_3 2.33 428.3754 6426855 Stearoylcarnitine_4 3.19 428.3713 6426855 Sulfoglycolithocholic acid 0.31 531.3098 72222 Taurochenodeoxycholic acid_1 0.46 500.3061 387316 Taurochenodeoxycholic acid_2 0.46 500.3020 387316 Taurochenodeoxycholic acid_3 0.37 517.3298 387316 Taurocholic acid 0.33 533.3253 6675 Termitomycesphin A 8.20 761.5893 10032960 Tetranor-PGFM 0.41 348.2017 3082337 TG(12:0/12:0/14:0)[iso3]_1 11.86 684.6136 TG(12:0/12:0/14:0)[iso3]_2 10.63 684.6129 TG(12:0/12:0/14:0)[iso3]_3 11.94 684.6141 TG(12:0/12:0/16:0)[iso3] 12.73 712.6458 TG(12:0/12:0/18:4(6Z,9Z,12Z,15Z))[iso3] 8.25 732.6130 TG(12:0/12:0/20:0)[iso3] 13.96 768.7070 TG(12:0/12:0/22:1(11Z))[iso3]_1 13.96 794.7246 TG(12:0/12:0/22:1(11Z))[iso3]_2 12.73 794.7234 TG(12:0/12:0/22:2(13Z,16Z))[iso3] 13.51 792.7089 TG(12:0/12:0/22:5(7Z,10Z,13Z,16Z,19Z))[iso3] 9.21 786.6570 TG(12:0/16:0/18:0) 14.42 796.7380 TG(12:0/18:3(6Z,9Z,12Z)/18:3(6Z,9Z,12Z))[iso3] 9.13 812.6757 TG(12:0/18:4(6Z,9Z,12Z,15Z)/18:4(6Z,9Z,12Z,15Z))[iso3] 7.88 808.6472 TG(13:0/13:0/21:0)[iso3] 14.63 810.7551 TG(13:0/13:0/22:5(7Z,10Z,13Z,16Z,19Z))[iso3] 10.19 814.6900 TG(13:0/17:1(9Z)/17:1(9Z))[iso3] 13.78 806.7193 TG(14:0/14:0/14:0)_1 13.41 740.6736 TG(14:0/14:0/14:0)_2 12.74 740.6732 TG(14:1(9Z)/14:1(9Z)/19:1(9Z))[iso3] 14.19 787.6829 TG(15:0/15:0/15:0) 14.20 782.7257 TG(16:0/16:0/16:0)_1 14.42 824.7661 TG(16:0/16:0/16:0)_2 14.84 824.7663 TG(16:0/16:0/16:1(9Z))[iso3] 14.41 822.7584 TG(16:0/16:0/17:0)[iso3] 15.01 838.7843 TG(16:0/16:0/18:0) 14.80 852.7974 TG(16:0/16:0/18:1(11E)) 14.80 850.7822 TG(16:0/16:1(9Z)/16:1(9Z))[iso3] 14.00 820.7365 TG(16:0/16:1(9Z)/17:0)[iso6] 14.61 836.7709 TG(16:0/17:1(9Z)/17:1(9Z))[iso3] 14.44 848.7720 TG(16:0/17:2(9Z,12Z)/17:2(9Z,12Z))[iso3] 13.54 844.7390 TG(16:0/20:0/20:0)[iso3]_1 15.22 936.8932 TG(16:0/20:0/20:0)[iso3]_2 16.04 936.8931 TG(16:0/20:0/20:0)[iso3]_3 15.96 936.8926 TG(16:1(9Z)/16:1(9Z)/16:1(9Z))_1 13.51 818.7211 TG(16:1(9Z)/16:1(9Z)/16:1(9Z))_2 14.46 801.6983 TG(16:1(9Z)/16:1(9Z)/17:0)[iso3] 14.23 834.7546 TG(16:1(9Z)/17:1(9Z)/17:1(9Z))[iso3]_1 13.98 846.7579 TG(16:1(9Z)/17:1(9Z)/17:1(9Z))[iso3]_2 14.84 829.7313 TG(16:1(9Z)/17:2(9Z,12Z)/17:2(9Z,12Z))[iso3] 14.61 842.7270 TG(16:1(9Z)/20:0/20:0)[iso3]_1 15.72 934.8820 TG(16:1(9Z)/20:0/20:0)[iso3]_2 15.22 934.8822 TG(16:1(9Z)/20:5(5Z,8Z,11Z,14Z,17Z)/20:5(5Z,8Z,11Z,14Z,17Z))[iso3] 12.60 897.6966 TG(17:0/17:0/17:0)_1 15.35 866.8139 TG(17:0/17:0/17:0)_2 14.20 866.8131 TG(17:0/17:0/18:0)[iso3]_1 15.18 880.8297 TG(17:0/17:0/18:0)[iso3]_2 15.48 880.8300 TG(17:0/17:1(9Z)/17:1(9Z))[iso3] 14.60 862.7840 TG(17:0/17:1(9Z)/20:0)[iso6] 15.47 906.8504 TG(17:0/17:2(9Z,12Z)/17:2(9Z,12Z))[iso3]_1 13.82 858.7578 TG(17:0/17:2(9Z,12Z)/17:2(9Z,12Z))[iso3]_2 15.19 858.7582 TG(17:0/17:2(9Z,12Z)/17:2(9Z,12Z))[iso3]_3 14.61 841.7293 TG(17:0/17:2(9Z,12Z)/18:0)[iso6] 14.78 876.8021 TG(17:0/17:2(9Z,12Z)/20:0)[iso6] 15.14 904.8338 TG(17:0/18:0/18:0)[iso3]_1 15.37 894.8469 TG(17:0/18:0/18:0)[iso3]_2 15.61 894.8466 TG(17:0/18:0/20:0)[iso6] 15.86 922.8779 TG(17:0/18:1(9Z)/20:0)[iso6] 15.53 920.8653 TG(17:0/18:2(9Z,12Z)/20:0)[iso6]_1 15.34 918.8479 TG(17:0/18:2(9Z,12Z)/20:0)[iso6]_2 14.63 918.8496 TG(17:0/18:3(9Z,12Z,15Z)/20:0)[iso6]_1 14.54 916.8309 TG(17:0/18:3(9Z,12Z,15Z)/20:0)[iso6]_2 14.98 916.8294 TG(17:0/20:0/22:3(10Z,13Z,16Z))[iso6]_1 14.98 972.9000 TG(17:0/20:0/22:3(10Z,13Z,16Z))[iso6]_2 15.61 972.8929 TG(17:1(9Z)/17:1(9Z)/17:1(9Z))_1 14.21 860.7686 TG(17:1(9Z)/17:1(9Z)/17:1(9Z))_2 14.15 860.7679 TG(17:1(9Z)/17:2(9Z,12Z)/18:0)[iso6]_1 14.42 874.7861 TG(17:1(9Z)/17:2(9Z,12Z)/18:0)[iso6]_2 15.29 874.7847 TG(17:1(9Z)/18:0/18:0)[iso3] 15.32 892.8302 TG(17:1(9Z)/18:1(9Z)/18:1(9Z))[iso3] 15.35 871.7732 TG(17:1(9Z)/18:2(9Z,12Z)/18:2(9Z,12Z))[iso3]_1 14.61 867.7446 TG(17:1(9Z)/18:2(9Z,12Z)/18:2(9Z,12Z))[iso3]_2 13.79 884.7736 TG(17:1(9Z)/18:2(9Z,12Z)/18:2(9Z,12Z))[iso3]_3 15.16 884.7745 TG(17:1(9Z)/18:3(9Z,12Z,15Z)/18:3(9Z,12Z,15Z))[iso3] 13.78 863.7102 TG(17:1(9Z)/18:3(9Z,12Z,15Z)/20:0)[iso6]_1 14.63 914.8185 TG(17:1(9Z)/18:3(9Z,12Z,15Z)/20:0)[iso6]_2 15.80 914.8179 TG(17:1(9Z)/20:0/20:0)[iso3]_1 15.35 948.8968 TG(17:1(9Z)/20:0/20:0)[iso3]_2 15.80 948.8933 TG(17:1(9Z)/20:1(11Z)/20:1(11Z))[iso3] 14.63 944.8624 TG(17:1(9Z)/20:4(5Z,8Z,11Z,14Z)/20:4(5Z,8Z,11Z,14Z))[iso3]_1 13.37 932.7717 TG(17:1(9Z)/20:4(5Z,8Z,11Z,14Z)/20:4(5Z,8Z,11Z,14Z))[iso3]_2 14.56 932.7711 TG(17:2(9Z,12Z)/17:2(9Z,12Z)/17:2(9Z,12Z)) 14.46 854.7268 TG(17:2(9Z,12Z)/17:2(9Z,12Z)/18:0)[iso3] 14.81 855.7461 TG(17:2(9Z,12Z)/17:2(9Z,12Z)/18:1(9Z))[iso3] 14.46 853.7309 TG(17:2(9Z,12Z)/17:2(9Z,12Z)/18:2(9Z,12Z))[iso3]_1 14.00 851.7114 TG(17:2(9Z,12Z)/17:2(9Z,12Z)/18:2(9Z,12Z))[iso3]_2 13.24 868.7407 TG(17:2(9Z,12Z)/17:2(9Z,12Z)/18:2(9Z,12Z))[iso3]_3 14.60 868.7412 TG(17:2(9Z,12Z)/17:2(9Z,12Z)/18:2(9Z,12Z))[iso3]_4 13.24 868.7407 TG(17:2(9Z,12Z)/17:2(9Z,12Z)/18:2(9Z,12Z))[iso3]_5 13.63 868.7397 TG(17:2(9Z,12Z)/17:2(9Z,12Z)/18:3(9Z,12Z,15Z))[iso3] 13.52 849.6983 TG(17:2(9Z,12Z)/17:2(9Z,12Z)/20:0)[iso3] 15.16 883.7756 TG(17:2(9Z,12Z)/17:2(9Z,12Z)/20:1(11Z))[iso3]_1 14.78 881.7606 TG(17:2(9Z,12Z)/17:2(9Z,12Z)/20:1(11Z))[iso3]_2 14.01 898.7848 TG(17:2(9Z,12Z)/17:2(9Z,12Z)/20:1(11Z))[iso3]_3 13.64 898.7830 TG(17:2(9Z,12Z)/17:2(9Z,12Z)/20:1(11Z))[iso3]_4 14.03 898.7838 TG(17:2(9Z,12Z)/17:2(9Z,12Z)/20:2(11Z,14Z))[iso3]_1 14.43 879.7403 TG(17:2(9Z,12Z)/17:2(9Z,12Z)/20:2(11Z,14Z))[iso3]_2 13.57 896.7681 TG(17:2(9Z,12Z)/17:2(9Z,12Z)/20:2(11Z,14Z))[iso3]_3 13.77 896.7674 TG(17:2(9Z,12Z)/17:2(9Z,12Z)/20:3(8Z,11Z,14Z))[iso3]_1 14.05 877.7260 TG(17:2(9Z,12Z)/17:2(9Z,12Z)/20:3(8Z,11Z,14Z))[iso3]_2 14.62 894.7577 TG(17:2(9Z,12Z)/17:2(9Z,12Z)/20:3(8Z,11Z,14Z))[iso3]_3 13.12 894.7576 TG(17:2(9Z,12Z)/17:2(9Z,12Z)/20:3(8Z,11Z,14Z))[iso3]_4 13.48 894.7574 TG(17:2(9Z,12Z)/17:2(9Z,12Z)/20:4(5Z,8Z,11Z,14Z))[iso3]_1 12.60 892.7419 TG(17:2(9Z,12Z)/17:2(9Z,12Z)/20:4(5Z,8Z,11Z,14Z))[iso3]_2 13.07 892.7408 TG(17:2(9Z,12Z)/17:2(9Z,12Z)/20:5(5Z,8Z,11Z,14Z,17Z))[iso3]_1 13.30 873.6930 TG(17:2(9Z,12Z)/17:2(9Z,12Z)/20:5(5Z,8Z,11Z,14Z,17Z))[iso3]_2 13.05 873.6934 TG(17:2(9Z,12Z)/18:0/18:0)[iso3] 14.97 890.8215 TG(17:2(9Z,12Z)/18:1(9Z)/18:1(9Z))[iso3]_1 14.24 886.7876 TG(17:2(9Z,12Z)/18:1(9Z)/18:1(9Z))[iso3]_2 14.98 869.7606 TG(17:2(9Z,12Z)/18:1(9Z)/18:1(9Z))[iso3]_3 15.49 886.7869 TG(17:2(9Z,12Z)/18:2(9Z,12Z)/18:2(9Z,12Z))[iso3]_1 14.23 865.7253 TG(17:2(9Z,12Z)/18:2(9Z,12Z)/18:2(9Z,12Z))[iso3]_2 14.79 882.7560 TG(17:2(9Z,12Z)/18:2(9Z,12Z)/18:2(9Z,12Z))[iso3]_3 13.33 882.7554 TG(17:2(9Z,12Z)/18:2(9Z,12Z)/18:2(9Z,12Z))[iso3]_4 13.62 882.7554 TG(17:2(9Z,12Z)/18:2(9Z,12Z)/18:2(9Z,12Z))[iso3]_5 14.76 882.7542 TG(17:2(9Z,12Z)/18:3(9Z,12Z,15Z)/18:3(9Z,12Z,15Z))[iso3] 14.04 878.7266 TG(17:2(9Z,12Z)/18:3(9Z,12Z,15Z)/20:0)[iso6]_1 14.97 895.7735 TG(17:2(9Z,12Z)/18:3(9Z,12Z,15Z)/20:0)[iso6]_2 14.25 912.8011 TG(17:2(9Z,12Z)/18:3(9Z,12Z,15Z)/20:1(11Z))[iso6]_1 14.62 893.7559 TG(17:2(9Z,12Z)/18:3(9Z,12Z,15Z)/20:1(11Z))[iso6]_2 15.14 910.7894 TG(17:2(9Z,12Z)/18:3(9Z,12Z,15Z)/20:1(11Z))[iso6]_3 14.13 910.7877 TG(17:2(9Z,12Z)/18:3(9Z,12Z,15Z)/20:2(11Z,14Z))[iso6]_1 14.80 908.7723 TG(17:2(9Z,12Z)/18:3(9Z,12Z,15Z)/20:2(11Z,14Z))[iso6]_2 13.85 908.7719 TG(17:2(9Z,12Z)/20:1(11Z)/20:1(11Z))[iso3] 15.02 942.8514 TG(17:2(9Z,12Z)/20:3(8Z,11Z,14Z)/20:3(8Z,11Z,14Z))[iso3]_1 13.90 934.7888 TG(17:2(9Z,12Z)/20:3(8Z,11Z,14Z)/20:3(8Z,11Z,14Z))[iso3]_2 14.84 934.7887 TG(17:2(9Z,12Z)/20:4(5Z,8Z,11Z,14Z)/20:4(5Z,8Z,11Z,14Z))[iso3] 13.84 930.7513 TG(17:2(9Z,12Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))[iso3] 14.20 961.7267 TG(18:0/18:0/18:0)_1 15.77 908.8625 TG(18:0/18:0/18:0)_2 15.47 908.8618 TG(18:0/18:2(9Z,12Z)/20:0)[iso6]_1 15.47 932.8655 TG(18:0/18:2(9Z,12Z)/20:0)[iso6]_2 14.81 932.8665 TG(18:0/18:3(9Z,12Z,15Z)/20:0)[iso6] 14.45 930.8443 TG(18:1(9Z)/18:3(9Z,12Z,15Z)/20:0)[iso6] 15.47 911.8058 TG(18:1(9Z)/20:0/20:0)[iso3] 15.97 962.9136 TG(18:2(9Z,12Z)/18:3(9Z,12Z,15Z)/20:0)[iso6]_1 15.14 909.7863 TG(18:2(9Z,12Z)/18:3(9Z,12Z,15Z)/20:0)[iso6]_2 14.53 926.8152 TG(18:2(9Z,12Z)/18:3(9Z,12Z,15Z)/20:0)[iso6]_3 13.56 926.8140 TG(18:2(9Z,12Z)/18:3(9Z,12Z,15Z)/20:0)[iso6]_4 14.53 926.8142 TG(18:2(9Z,12Z)/20:0/20:0)[iso3]_1 15.16 960.8931 TG(18:2(9Z,12Z)/20:0/20:0)[iso3]_2 15.56 960.8911 TG(18:2(9Z,12Z)/20:0/20:0)[iso3]_3 15.74 960.8924 TG(18:2(9Z,12Z)/20:0/20:0)[iso3]_4 14.81 960.8927 TG(18:2(9Z,12Z)/20:1(11Z)/20:1(11Z))[iso3]_1 14.43 956.8650 TG(18:2(9Z,12Z)/20:1(11Z)/20:1(11Z))[iso3]_2 15.15 956.8640 TG(18:2(9Z,12Z)/20:2(11Z,14Z)/20:2(11Z,14Z))[iso3]_1 15.10 935.8051 TG(18:2(9Z,12Z)/20:2(11Z,14Z)/20:2(11Z,14Z))[iso3]_2 13.64 952.8341 TG(18:2(9Z,12Z)/20:2(11Z,14Z)/20:2(11Z,14Z))[iso3]_3 14.55 952.8325 TG(18:2(9Z,12Z)/20:3(8Z,11Z,14Z)/20:3(8Z,11Z,14Z))[iso3]_1 14.07 948.8010 TG(18:2(9Z,12Z)/20:3(8Z,11Z,14Z)/20:3(8Z,11Z,14Z))[iso3]_2 14.56 931.7719 TG(18:3(9Z,12Z,15Z)/18:3(9Z,12Z,15Z)/20:0)[iso3] 14.81 907.7717 TG(18:3(9Z,12Z,15Z)/18:3(9Z,12Z,15Z)/20:1(11Z))[iso3]_1 13.99 922.7855 TG(18:3(9Z,12Z,15Z)/18:3(9Z,12Z,15Z)/20:1(11Z))[iso3]_2 14.03 922.7855 TG(18:3(9Z,12Z,15Z)/18:3(9Z,12Z,15Z)/20:2(11Z,14Z))[iso3]_1 13.66 920.7682 TG(18:3(9Z,12Z,15Z)/18:3(9Z,12Z,15Z)/20:2(11Z,14Z))[iso3]_2 13.58 920.7677 TG(18:3(9Z,12Z,15Z)/18:3(9Z,12Z,15Z)/20:3(8Z,11Z,14Z))[iso3]_1 13.57 901.7303 TG(18:3(9Z,12Z,15Z)/18:3(9Z,12Z,15Z)/20:3(8Z,11Z,14Z))[iso3]_2 12.93 918.7553 TG(18:3(9Z,12Z,15Z)/18:3(9Z,12Z,15Z)/20:3(8Z,11Z,14Z))[iso3]_3 13.85 901.7299 TG(18:3(9Z,12Z,15Z)/20:0/20:0)[iso3]_1 14.42 958.8758 TG(18:3(9Z,12Z,15Z)/20:0/20:0)[iso3]_2 14.78 958.8763 TG(18:3(9Z,12Z,15Z)/20:1(11Z)/20:1(11Z))[iso3]_1 14.79 954.8467 TG(18:3(9Z,12Z,15Z)/20:1(11Z)/20:1(11Z))[iso3]_2 14.04 954.8461 TG(18:3(9Z,12Z,15Z)/20:1(11Z)/20:1(11Z))[iso3]_3 15.43 937.8181 TG(18:3(9Z,12Z,15Z)/20:2(11Z,14Z)/20:2(11Z,14Z))[iso3]_1 14.20 950.8142 TG(18:3(9Z,12Z,15Z)/20:2(11Z,14Z)/20:2(11Z,14Z))[iso3]_2 14.84 933.7867 TG(18:3(9Z,12Z,15Z)/20:2(11Z,14Z)/20:2(11Z,14Z))[iso3]_3 14.20 950.8141 TG(18:3(9Z,12Z,15Z)/20:4(5Z,8Z,11Z,14Z)/20:4(5Z,8Z,11Z,14Z))[iso3]_1 13.48 925.7296 TG(18:3(9Z,12Z,15Z)/20:4(5Z,8Z,11Z,14Z)/20:4(5Z,8Z,11Z,14Z))[iso3]_2 12.70 942.7556 TG(19:0/20:1(11Z)/20:1(11Z))[iso3] 15.84 974.9104 TG(20:0/20:0/22:3(10Z,13Z,16Z))[iso3]_1 15.89 1,014.9391 TG(20:0/20:0/22:3(10Z,13Z,16Z))[iso3]_2 15.41 1,014.9393 TG(20:0/20:0/22:3(10Z,13Z,16Z))[iso3]_3 15.47 1,014.9394 TG(20:0/20:1(11Z)/20:1(11Z))[iso3]_1 15.48 988.9297 TG(20:0/20:1(11Z)/20:1(11Z))[iso3]_2 15.93 988.9288 TG(20:0/20:3(8Z,11Z,14Z)/22:3(10Z,13Z,16Z))[iso6] 14.54 1,008.8934 TG(20:0/20:4(5Z,8Z,11Z,14Z)/22:3(10Z,13Z,16Z))[iso6] 14.09 1,006.8754 TG(20:0/20:5(5Z,8Z,11Z,14Z,17Z)/22:3(10Z,13Z,16Z))[iso6]_1 13.38 1,004.8605 TG(20:0/20:5(5Z,8Z,11Z,14Z,17Z)/22:3(10Z,13Z,16Z))[iso6]_2 14.03 1,004.8620 TG(20:0/20:5(5Z,8Z,11Z,14Z,17Z)/22:3(10Z,13Z,16Z))[iso6]_3 13.90 1,004.8620 TG(20:1(11Z)/20:1(11Z)/20:1(11Z))_1 15.14 986.9129 TG(20:1(11Z)/20:1(11Z)/20:1(11Z))_2 15.71 986.9124 TG(20:1(11Z)/20:2(11Z,14Z)/20:2(11Z,14Z))[iso3]_1 14.39 982.8814 TG(20:1(11Z)/20:2(11Z,14Z)/20:2(11Z,14Z))[iso3]_2 15.15 982.8805 TG(20:1(11Z)/20:3(8Z,11Z,14Z)/20:3(8Z,11Z,14Z))[iso3]_1 13.12 978.8441 TG(20:1(11Z)/20:3(8Z,11Z,14Z)/20:3(8Z,11Z,14Z))[iso3]_2 13.57 978.8453 TG(20:1(11Z)/20:3(8Z,11Z,14Z)/20:3(8Z,11Z,14Z))[iso3]_3 14.58 978.8447 TG(20:1(11Z)/20:3(8Z,11Z,14Z)/20:3(8Z,11Z,14Z))[iso3]_4 13.88 978.8445 TG(20:2(11Z,14Z)/20:2(11Z,14Z)/20:2(11Z,14Z))_1 14.02 980.8671 TG(20:2(11Z,14Z)/20:2(11Z,14Z)/20:2(11Z,14Z))_2 14.04 980.8667 TG(20:2(11Z,14Z)/20:2(11Z,14Z)/20:2(11Z,14Z))_3 14.86 980.8654 TG(20:2(11Z,14Z)/20:3(8Z,11Z,14Z)/20:3(8Z,11Z,14Z))[iso3]_1 13.12 976.8287 TG(20:2(11Z,14Z)/20:3(8Z,11Z,14Z)/20:3(8Z,11Z,14Z))[iso3]_2 13.48 976.8287 TG(20:2(11Z,14Z)/20:3(8Z,11Z,14Z)/20:3(8Z,11Z,14Z))[iso3]_3 13.92 976.8287 TG(20:2(11Z,14Z)/20:3(8Z,11Z,14Z)/20:3(8Z,11Z,14Z))[iso3]_4 14.33 976.8290 TG(20:2(11Z,14Z)/20:4(5Z,8Z,11Z,14Z)/20:4(5Z,8Z,11Z,14Z))[iso3]_1 13.75 972.8008 TG(20:2(11Z,14Z)/20:4(5Z,8Z,11Z,14Z)/20:4(5Z,8Z,11Z,14Z))[iso3]_2 13.47 972.7985 TG(20:2(11Z,14Z)/20:4(5Z,8Z,11Z,14Z)/20:4(5Z,8Z,11Z,14Z))[iso3]_3 14.00 972.8021 TG(20:3(8Z,11Z,14Z)/20:3(8Z,11Z,14Z)/20:3(8Z,11Z,14Z))_1 13.96 974.8186 TG(20:3(8Z,11Z,14Z)/20:3(8Z,11Z,14Z)/20:3(8Z,11Z,14Z))_2 12.60 974.8180 TG(20:3(8Z,11Z,14Z)/20:4(5Z,8Z,11Z,14Z)/20:4(5Z,8Z,11Z,14Z))[iso3]_1 14.04 953.7547 TG(20:3(8Z,11Z,14Z)/20:4(5Z,8Z,11Z,14Z)/20:4(5Z,8Z,11Z,14Z))[iso3]_2 13.46 970.7879 TG(20:3(8Z,11Z,14Z)/20:4(5Z,8Z,11Z,14Z)/20:4(5Z,8Z,11Z,14Z))[iso3]_3 13.48 970.7889 TG(20:3(8Z,11Z,14Z)/20:5(5Z,8Z,11Z,14Z,17Z)/20:5(5Z,8Z,11Z,14Z,17Z))[iso3]_1 13.15 949.7287 TG(20:3(8Z,11Z,14Z)/20:5(5Z,8Z,11Z,14Z,17Z)/20:5(5Z,8Z,11Z,14Z,17Z))[iso3]_2 12.40 966.7544 TG(20:3(8Z,11Z,14Z)/20:5(5Z,8Z,11Z,14Z,17Z)/22:3(10Z,13Z,16Z))[iso6] 13.80 998.8143 TG(20:3(8Z,11Z,14Z)/22:3(10Z,13Z,16Z)/22:3(10Z,13Z,16Z))[iso3]_1 13.81 1,030.8791 TG(20:3(8Z,11Z,14Z)/22:3(10Z,13Z,16Z)/22:3(10Z,13Z,16Z))[iso3]_2 14.08 1,030.8790 TG(20:4(5Z,8Z,11Z,14Z)/18:2(9Z,12Z)/20:4(5Z,8Z,11Z,14Z)) (d5)_1 14.07 949.8004 TG(20:4(5Z,8Z,11Z,14Z)/18:2(9Z,12Z)/20:4(5Z,8Z,11Z,14Z)) (d5)_2 13.39 949.7984 TG(20:4(5Z,8Z,11Z,14Z)/20:4(5Z,8Z,11Z,14Z)/20:4(5Z,8Z,11Z,14Z))_1 13.63 951.7450 TG(20:4(5Z,8Z,11Z,14Z)/20:4(5Z,8Z,11Z,14Z)/20:4(5Z,8Z,11Z,14Z))_2 12.92 968.7685 TG(20:4(5Z,8Z,11Z,14Z)/20:4(5Z,8Z,11Z,14Z)/20:4(5Z,8Z,11Z,14Z))_3 13.24 968.7688 TG(20:5(5Z,8Z,11Z,14Z,17Z)/20:5(5Z,8Z,11Z,14Z,17Z)/22:3(10Z,13Z,16Z))[iso3]_1 12.65 994.7819 TG(20:5(5Z,8Z,11Z,14Z,17Z)/20:5(5Z,8Z,11Z,14Z,17Z)/22:3(10Z,13Z,16Z))[iso3]_2 12.93 994.7828 TG(20:5(5Z,8Z,11Z,14Z,17Z)/20:5(5Z,8Z,11Z,14Z,17Z)/22:3(10Z,13Z,16Z))[iso3]_3 13.22 994.7838 TG(20:5(5Z,8Z,11Z,14Z,17Z)/20:5(5Z,8Z,11Z,14Z,17Z)/22:4(7Z,10Z,13Z,16Z))[iso3] 13.46 975.7408 TG(20:5(5Z,8Z,11Z,14Z,17Z)/22:3(10Z,13Z,16Z)/22:3(10Z,13Z,16Z))[iso3] 13.14 1,026.8532 TG(20:5(5Z,8Z,11Z,14Z,17Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/20:5(5Z,8Z,11Z,14Z,17Z)) (d5)_1 12.65 993.7727 TG(20:5(5Z,8Z,11Z,14Z,17Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/20:5(5Z,8Z,11Z,14Z,17Z)) (d5)_2 13.45 976.7416 TG(22:3(10Z,13Z,16Z)/22:3(10Z,13Z,16Z)/22:2(13Z,16Z))[iso3] 13.97 1,060.9287 TG(22:3(10Z,13Z,16Z)/22:5(7Z,10Z,13Z,16Z,19Z)/22:5(7Z,10Z,13Z,16Z,19Z))[iso3] 12.93 1,050.8506 TG(22:4(7Z,10Z,13Z,16Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))[iso3] 14.44 1,027.7769 Theonellasterol G_1 5.93 492.4038 52931401 Theonellasterol G_2 6.47 475.3794 52931401 Theonellasterol G_3 7.17 475.3798 52931401 Tricosanedioic acid 1.91 402.3579 9543669 Trilauroyl-glycerol_1 10.62 656.5803 10851 Trilauroyl-glycerol_2 11.19 656.5801 10851 Tylosin 7.57 916.5298 5280440 undecaprenol 14.20 784.7343 5280474 Villosin 0.40 427.1367 16733738 Vomitoxin 0.41 314.1587 40024 METABOLITES_END #END