#METABOLOMICS WORKBENCH XiaoyangSu_20230818_124921 DATATRACK_ID:4228 STUDY_ID:ST002824 ANALYSIS_ID:AN004608 VERSION 1 CREATED_ON 08-23-2023 #PROJECT PR:PROJECT_TITLE Leukemia inhibitory factor suppresses hepatic de novo lipogenesis and induces PR:PROJECT_TITLE cachexia PR:PROJECT_SUMMARY We performed metabolomic analysis to measure polar and lipid metabolites in the PR:PROJECT_SUMMARY serum from TgLC and TgL mice with Tamoxifen (TAM) injection. We compared the PR:PROJECT_SUMMARY levels of lipid metabolites in the liver from TgLC and TgL mice with TAM PR:PROJECT_SUMMARY injection. The lipid metabolites levels in the liver from Balb/c mice bearing PR:PROJECT_SUMMARY C26 or C26-LIF KO tumors were also measured. Mice under both fed and fasted PR:PROJECT_SUMMARY conditions were included. To investigate whether fenofibrate can restore hepatic PR:PROJECT_SUMMARY lipid homeostasis, TgLC mice were fed with a regular chow or fenofibrate diet. PR:PROJECT_SUMMARY Lipid metabolites in liver tissues were analyzed after TAM injection. A similar PR:PROJECT_SUMMARY effect of fenofibrate on lipid metabolites was observed in C26 tumor-bearing PR:PROJECT_SUMMARY mice. PR:INSTITUTE Rutgers University PR:DEPARTMENT Department of Radiation Oncology PR:LAST_NAME Hu PR:FIRST_NAME Wenwei PR:ADDRESS 195 Little Albany St, New Brunswick, NJ 08901 PR:EMAIL wh221@cinj.rutgers.edu PR:PHONE 7322356169 PR:DOI http://dx.doi.org/10.21228/M8FB1R #STUDY ST:STUDY_TITLE Leukemia inhibitory factor suppresses hepatic de novo lipogenesis and induces ST:STUDY_TITLE cachexia ST:STUDY_SUMMARY We performed metabolomic analysis to measure polar and lipid metabolites in the ST:STUDY_SUMMARY serum from TgLC and TgL mice with Tamoxifen (TAM) injection. Mice under both fed ST:STUDY_SUMMARY and fasted conditions were included. ST:INSTITUTE Rutgers University ST:LAST_NAME Hu ST:FIRST_NAME Wenwei ST:ADDRESS 195 Little Albany St, New Brunswick, NJ 08901 ST:EMAIL wh221@cinj.rutgers.edu ST:PHONE 7322356169 ST:SUBMIT_DATE 2023-08-18 #SUBJECT SU:SUBJECT_TYPE Mammal SU:SUBJECT_SPECIES Mus musculus SU:TAXONOMY_ID 10090 #SUBJECT_SAMPLE_FACTORS: SUBJECT(optional)[tab]SAMPLE[tab]FACTORS(NAME:VALUE pairs separated by |)[tab]Additional sample data SUBJECT_SAMPLE_FACTORS - TgLIF_S_1F Genotype:TgLC | Condition:Fasted | Metabolites:lipid RAW_FILE_NAME=TgLIF_S_1F.mzXML SUBJECT_SAMPLE_FACTORS - TgLIF_S_1M Genotype:TgLC | Condition:Fasted | Metabolites:lipid RAW_FILE_NAME=TgLIF_S_1M.mzXML SUBJECT_SAMPLE_FACTORS - TgLIF_S_2F Genotype:TgLC | Condition:Fasted | Metabolites:lipid RAW_FILE_NAME=TgLIF_S_2F.mzXML SUBJECT_SAMPLE_FACTORS - TgLIF_S_2M Genotype:TgLC | Condition:Fasted | Metabolites:lipid RAW_FILE_NAME=TgLIF_S_2M.mzXML SUBJECT_SAMPLE_FACTORS - Serum_Tglif-S_1m Genotype:TgLC | Condition:Fasted | Metabolites:polar RAW_FILE_NAME=Serum_Tglif-S_1m.mzXML SUBJECT_SAMPLE_FACTORS - Serum_Tglif-S_2f Genotype:TgLC | Condition:Fasted | Metabolites:polar RAW_FILE_NAME=Serum_Tglif-S_2f.mzXML SUBJECT_SAMPLE_FACTORS - Serum_Tglif-S_2m Genotype:TgLC | Condition:Fasted | Metabolites:polar RAW_FILE_NAME=Serum_Tglif-S_2m.mzXML SUBJECT_SAMPLE_FACTORS - Serum_Tglif-S_3m Genotype:TgLC | Condition:Fasted | Metabolites:polar RAW_FILE_NAME=Serum_Tglif-S_3m.mzXML SUBJECT_SAMPLE_FACTORS - TgLIF_F_1F Genotype:TgLC | Condition:Fed | Metabolites:lipid RAW_FILE_NAME=TgLIF_F_1F.mzXML SUBJECT_SAMPLE_FACTORS - TgLIF_F_1M Genotype:TgLC | Condition:Fed | Metabolites:lipid RAW_FILE_NAME=TgLIF_F_1M.mzXML SUBJECT_SAMPLE_FACTORS - TgLIF_F_2F Genotype:TgLC | Condition:Fed | Metabolites:lipid RAW_FILE_NAME=TgLIF_F_2F.mzXML SUBJECT_SAMPLE_FACTORS - TgLIF_F_2M Genotype:TgLC | Condition:Fed | Metabolites:lipid RAW_FILE_NAME=TgLIF_F_2M.mzXML SUBJECT_SAMPLE_FACTORS - Serum_Tglif-F_1f Genotype:TgLC | Condition:Fed | Metabolites:polar RAW_FILE_NAME=Serum_Tglif-F_1f.mzXML SUBJECT_SAMPLE_FACTORS - Serum_Tglif-F_1m Genotype:TgLC | Condition:Fed | Metabolites:polar RAW_FILE_NAME=Serum_Tglif-F_1m.mzXML SUBJECT_SAMPLE_FACTORS - Serum_Tglif-F_2f Genotype:TgLC | Condition:Fed | Metabolites:polar RAW_FILE_NAME=Serum_Tglif-F_2f.mzXML SUBJECT_SAMPLE_FACTORS - Serum_Tglif-F_2m Genotype:TgLC | Condition:Fed | Metabolites:polar RAW_FILE_NAME=Serum_Tglif-F_2m.mzXML SUBJECT_SAMPLE_FACTORS - WT_S_1F Genotype:TgL | Condition:Fasted | Metabolites:lipid RAW_FILE_NAME=WT_S_1F.mzXML SUBJECT_SAMPLE_FACTORS - WT_S_1M Genotype:TgL | Condition:Fasted | Metabolites:lipid RAW_FILE_NAME=WT_S_1M.mzXML SUBJECT_SAMPLE_FACTORS - WT_S_2F Genotype:TgL | Condition:Fasted | Metabolites:lipid RAW_FILE_NAME=WT_S_2F.mzXML SUBJECT_SAMPLE_FACTORS - WT_S_2M Genotype:TgL | Condition:Fasted | Metabolites:lipid RAW_FILE_NAME=WT_S_2M.mzXML SUBJECT_SAMPLE_FACTORS - Serum_WT-S_1f Genotype:TgL | Condition:Fasted | Metabolites:polar RAW_FILE_NAME=Serum_WT-S_1f.mzXML SUBJECT_SAMPLE_FACTORS - Serum_WT-S_2f Genotype:TgL | Condition:Fasted | Metabolites:polar RAW_FILE_NAME=Serum_WT-S_2f.mzXML SUBJECT_SAMPLE_FACTORS - Serum_WT-S_3f Genotype:TgL | Condition:Fasted | Metabolites:polar RAW_FILE_NAME=Serum_WT-S_3f.mzXML SUBJECT_SAMPLE_FACTORS - Serum_WT-S_3m Genotype:TgL | Condition:Fasted | Metabolites:polar RAW_FILE_NAME=Serum_WT-S_3m.mzXML SUBJECT_SAMPLE_FACTORS - WT_F_1F Genotype:TgL | Condition:Fed | Metabolites:lipid RAW_FILE_NAME=WT_F_1F.mzXML SUBJECT_SAMPLE_FACTORS - WT_F_1M Genotype:TgL | Condition:Fed | Metabolites:lipid RAW_FILE_NAME=WT_F_1M.mzXML SUBJECT_SAMPLE_FACTORS - WT_F_2F Genotype:TgL | Condition:Fed | Metabolites:lipid RAW_FILE_NAME=WT_F_2F.mzXML SUBJECT_SAMPLE_FACTORS - WT_F_2M Genotype:TgL | Condition:Fed | Metabolites:lipid RAW_FILE_NAME=WT_F_2M.mzXML SUBJECT_SAMPLE_FACTORS - Serum_WT-F_1f Genotype:TgL | Condition:Fed | Metabolites:polar RAW_FILE_NAME=Serum_WT-F_1f.mzXML SUBJECT_SAMPLE_FACTORS - Serum_WT-F_1m Genotype:TgL | Condition:Fed | Metabolites:polar RAW_FILE_NAME=Serum_WT-F_1m.mzXML SUBJECT_SAMPLE_FACTORS - Serum_WT-F_2f Genotype:TgL | Condition:Fed | Metabolites:polar RAW_FILE_NAME=Serum_WT-F_2f.mzXML SUBJECT_SAMPLE_FACTORS - Serum_WT-F_2m Genotype:TgL | Condition:Fed | Metabolites:polar RAW_FILE_NAME=Serum_WT-F_2m.mzXML #COLLECTION CO:COLLECTION_SUMMARY Whole blood was collected and centrifuged at 9000 rpm for 10 minutes. The CO:COLLECTION_SUMMARY supernatant is serum. Serum was then stored at -80 °C. CO:SAMPLE_TYPE Blood (serum) #TREATMENT TR:TREATMENT_SUMMARY TgL and TgLC mice were injected with Tamoxifen under the fed and fasted TR:TREATMENT_SUMMARY conditions. #SAMPLEPREP SP:SAMPLEPREP_SUMMARY For lipidomic metabolites extraction, 10 μL serum were mixed with 75 μL SP:SAMPLEPREP_SUMMARY methanol and 250 μL Methyl tert-butyl ether (MTBE). After shaking for 6 minutes SP:SAMPLEPREP_SUMMARY at 4 °C, 62 μL H2O was added and followed by centrifugation for 2 minutes. SP:SAMPLEPREP_SUMMARY Supernatants were dried down for further analysis. Polar metabolites were SP:SAMPLEPREP_SUMMARY extracted from serum using the extraction buffer containing methanol: SP:SAMPLEPREP_SUMMARY acetonitrile: H2O (40:40:20). #CHROMATOGRAPHY CH:CHROMATOGRAPHY_SUMMARY Lipidomics method CH:INSTRUMENT_NAME Thermo Vanquish CH:COLUMN_NAME Agilent InfinityLab Poroshell 120 EC-C18 (100 x 3mm,2.7um) CH:COLUMN_TEMPERATURE 55C CH:FLOW_GRADIENT 0 min, 25% B; 2 min, 25% B; 5.5 min, 65% B; 12.5 min, 100% B; 19.5 min, 100% B; CH:FLOW_GRADIENT 20.0 min, 25% B; 30 min, 25% B CH:FLOW_RATE 0.2mL/min CH:SOLVENT_A 90% water/10% methanol; 34.2 mM acetic acid; 1 mM ammonium acetate CH:SOLVENT_B 75% isopropanol/25% methanol; 34.2 mM acetic acid; 1 mM ammonium acetate CH:CHROMATOGRAPHY_TYPE Reversed phase #ANALYSIS AN:ANALYSIS_TYPE MS AN:ACQUISITION_PARAMETERS_FILE LCMS_Pos_30min_55C_LongElution #MS MS:INSTRUMENT_NAME Thermo Q Exactive Plus Orbitrap MS:INSTRUMENT_TYPE Orbitrap MS:MS_TYPE ESI MS:MS_COMMENTS Positive Ionization mode MS:ION_MODE POSITIVE MS:CAPILLARY_TEMPERATURE 300 MS:ION_SOURCE_TEMPERATURE 360 MS:SPRAY_VOLTAGE 3500 MS:AUTOMATIC_GAIN_CONTROL 3000000 #MS_METABOLITE_DATA MS_METABOLITE_DATA:UNITS Ion counts MS_METABOLITE_DATA_START Samples TgLIF_S_1F TgLIF_S_1M TgLIF_S_2F TgLIF_S_2M TgLIF_F_1F TgLIF_F_1M TgLIF_F_2F TgLIF_F_2M WT_S_1F WT_S_1M WT_S_2F WT_S_2M WT_F_1F WT_F_1M WT_F_2F WT_F_2M Factors Genotype:TgLC | Condition:Fasted | Metabolites:lipid Genotype:TgLC | Condition:Fasted | Metabolites:lipid Genotype:TgLC | Condition:Fasted | Metabolites:lipid Genotype:TgLC | Condition:Fasted | Metabolites:lipid Genotype:TgLC | Condition:Fed | Metabolites:lipid Genotype:TgLC | Condition:Fed | Metabolites:lipid Genotype:TgLC | Condition:Fed | Metabolites:lipid Genotype:TgLC | Condition:Fed | Metabolites:lipid Genotype:TgL | Condition:Fasted | Metabolites:lipid Genotype:TgL | Condition:Fasted | Metabolites:lipid Genotype:TgL | Condition:Fasted | Metabolites:lipid Genotype:TgL | Condition:Fasted | Metabolites:lipid Genotype:TgL | Condition:Fed | Metabolites:lipid Genotype:TgL | Condition:Fed | Metabolites:lipid Genotype:TgL | Condition:Fed | Metabolites:lipid Genotype:TgL | Condition:Fed | Metabolites:lipid Cearamide(d18:1/16:0) 124213.4000 69162.0500 186519.5500 159414.6900 185295.2000 176571.8300 211148.8900 196098.4800 39375.7900 60357.0400 59111.9700 53293.9100 85107.9700 117988.4800 116471.9400 106706.4500 Cearamide(d18:1/18:0) 101206.0000 29298.3800 102571.8400 76814.1800 138238.4400 22477.4100 116415.0300 91557.4800 84554.0400 29684.1800 65116.1400 44347.8500 44978.1200 45058.7100 87399.2500 55958.4500 Cearamide(d18:1/22:0) 303240.7200 508619.5300 362699.4700 766139.0600 644453.9400 299560.0900 630408.6900 1009670.5600 245723.3100 193737.8800 198401.1700 353727.4100 245151.4500 291863.7800 268633.9700 485590.5300 Cearamide(d18:1/24:0) 882418.5600 1491715.6200 917345.2500 2295069.0000 1468709.8800 1004907.6900 1435061.3800 2182409.5000 697484.3100 455963.6600 599038.9400 814087.9400 534652.6900 636879.5600 615199.1900 919684.4400 Cearamide(d18:1/24:1) 752903.5000 895492.0000 943997.0000 1258081.5000 1350192.0000 747623.5000 1099912.1200 1569534.5000 648043.3100 432652.9700 485471.9100 685522.5000 395532.4100 514525.0900 569539.8100 570877.4400 Cearamide(d18:1/24:2) 95478.5100 107522.1200 127508.3100 128830.6900 151474.8300 82072.2800 138156.8800 179661.1700 63823.0700 73180.6200 47813.5400 79912.2700 41763.1500 60097.7900 64658.2200 84743.4800 CE_NH4(16:0) 42871.4100 33138.0200 48428.5400 92930.5200 35374.8600 39915.3000 69387.3200 43796.6600 48296.5700 29440.4200 43309.6600 32873.7600 30210.7200 33570.7500 36825.1800 39596.8700 CE_NH4(16:1) 41384.5500 28081.4700 102824.1000 55848.3100 51665.0200 36561.5200 65583.9800 37265.1400 26475.9300 31258.6300 38395.0200 40591.8300 62697.4700 42120.0900 45713.4300 30532.5800 CE_NH4(16:2) 13730.8600 6685.1400 24919.4900 17608.4100 21022.3600 22975.5800 16614.0800 21273.4400 16917.0100 11797.8000 15982.9700 13011.0100 20963.1200 3485.8800 18641.7800 5872.7400 CE_NH4(18:0) 29897.7600 47740.5700 86218.5100 128751.7100 23470.8300 99616.7800 28689.2400 51734.8900 36525.0300 12006.9800 11402.8000 6770.8500 14700.3800 3886.7100 15982.5900 14629.5100 CE_NH4(18:1) 1388792.1200 2131854.0000 2510552.0000 4078792.0000 1439726.5000 2064566.0000 2238277.2500 1966748.0000 1353387.8800 945477.8100 978982.0000 921432.5000 1221589.2500 975625.9400 1192323.3800 724109.2500 CE_NH4(18_1-d7) 862902.8100 703157.3100 597536.9400 981499.1900 903488.4400 723767.0000 950170.8100 584095.9400 1444784.8800 1377269.1200 1568682.1200 1307864.5000 910883.4400 1025981.5000 1030264.5000 1119743.3800 CE_NH4(18:2) 6482446.5000 7951616.0000 10021210.0000 8101748.5000 8076633.5000 11004456.0000 7494048.0000 9246595.0000 7968856.0000 9254001.0000 9895205.0000 9384231.0000 7793394.5000 6280598.5000 8354581.5000 6611992.5000 CE_NH4(18:3) 601709.5000 488864.1200 1062660.2500 902996.3100 818135.1900 766222.6900 663450.6900 1045221.6900 708614.7500 609095.8100 594780.9400 715614.6900 885290.3100 352043.5000 588647.0000 362580.0300 CE_NH4(18:4) 3431.2700 3638.9100 11603.0600 10320.4500 24724.3400 22121.8700 11984.1900 11411.3200 5578.4500 8463.1800 9815.0300 11469.5300 43014.6400 11903.3300 27288.6200 10872.2200 CE_NH4(20:1) 9109.0000 23500.9900 40051.6100 60662.3100 11602.0800 56820.4100 27708.3800 20005.8400 9124.1600 7123.5900 6345.8600 4292.0800 19966.3400 10948.2700 17003.4600 7629.5700 CE_NH4(20:2) 68512.0200 88349.5700 67167.7200 77608.6800 95145.9500 92165.3200 93916.2600 98112.2100 153214.3000 117991.3800 104435.6000 99525.4800 131378.9400 121106.1900 123275.6000 121210.1500 CE_NH4(20:3) 57408.3600 125806.9900 42813.0700 90646.6500 70104.5400 107885.5300 75163.6300 102577.9700 178455.0200 162018.2500 193946.0500 182936.5500 201393.3900 182146.7500 161962.5800 202827.8600 CE_NH4(20:4) 6572861.5000 9032455.0000 6687687.5000 8438127.0000 8190396.0000 11894221.0000 7142297.5000 7931654.0000 9037327.0000 11214035.0000 12619683.0000 11787516.0000 10778702.0000 8179262.5000 11965101.0000 7314981.5000 CE_NH4(20:5) 1289455.8800 1337991.7500 1963011.3800 1897543.5000 1882065.3800 2451057.7500 1229174.5000 2550187.0000 1969146.6200 1537122.6200 2505894.7500 1829743.6200 2303659.2500 854797.6900 2326608.5000 1114404.6200 CE_NH4(20:6) 7631.0200 3357.8500 6624.6900 6918.3100 3797.4300 4965.4200 3213.0800 11573.7100 18328.8300 13376.4000 3233.4000 7747.6000 CE_NH4(22:4) 77006.6000 87279.2900 53979.1700 62844.3200 63542.5000 75217.4600 55768.0800 97938.2600 164509.6100 99141.4700 112332.1200 106591.7700 155329.1400 140701.0900 133552.0200 106668.6800 CE_NH4(22:5) 20406.5800 20008.5400 18313.4100 27305.6900 14201.5300 11353.0500 9701.3600 43730.4500 32393.8200 31400.2200 20521.2100 36898.5500 17260.0500 26481.3200 28683.7400 21027.1800 CE_NH4(22:6) 4831101.5000 5966740.0000 5899168.0000 8093726.5000 5481011.5000 8776443.0000 4147419.2500 8251669.5000 5804008.0000 5416510.0000 7062376.0000 5741230.5000 4624266.5000 2582898.2500 3426219.2500 3175790.7500 DG_NH4(32:0) 135752.1400 187365.9500 108860.7500 157243.1100 193880.0600 223497.3600 238145.1100 289149.5300 156026.2500 204274.2000 168998.3400 188517.3800 316231.6200 314729.9700 289384.6900 356555.0000 DG_NH4(32:1) 30587.7800 55149.1900 18339.5400 43404.9600 59294.7800 36573.4500 64538.1200 44994.2500 10190.4700 18088.2900 13531.0700 28727.8900 85043.3900 109227.1800 60371.4100 128951.9500 DG_NH4(32:2) 29422.7100 20956.5000 19828.5000 18108.1100 18251.0500 8530.9300 20293.5900 41753.7500 4458.4800 9178.2200 9052.3800 7944.9200 20142.3100 51062.6800 53990.6400 46961.5100 DG_NH4(33_1-d7) 8894447.0000 9012235.0000 8504224.0000 9459767.0000 8816622.0000 9910989.0000 8579912.0000 9220055.0000 10249501.0000 10001032.0000 9229872.0000 10423285.0000 9408499.0000 10727908.0000 10682985.0000 9003127.0000 DG_NH4(34:0) 289891.5900 299329.3100 247267.1700 279164.2800 299433.4100 330612.8400 450386.8800 404585.8400 273562.5000 472086.3800 389877.2500 373976.3400 509657.9100 402516.5300 406434.5300 444502.2200 DG_NH4(34:1) 529588.0600 758586.5600 491836.7200 906316.5000 623997.5600 647933.2500 800913.0000 1156521.1200 368526.0900 496176.4100 349674.7500 470494.2200 711555.5000 1164671.6200 861672.6900 1233029.8800 DG_NH4(34:2) 1630134.6200 1702540.0000 1267163.3800 1750860.0000 1369423.6200 1442132.3800 1536261.3800 2181594.0000 1495911.0000 1530710.5000 1297513.6200 1473046.8800 1461933.5000 2226636.7500 1746719.6200 1867760.0000 DG_NH4(34:3) 108791.3400 92854.4500 77098.2700 118701.0000 70681.7400 77421.3000 101383.1300 157049.7700 40129.8900 22877.5400 37467.5200 82519.7700 88086.8500 135692.5500 134166.5300 183850.1700 DG_NH4(34:4) 67619.3000 51604.0300 78255.7700 88068.7500 42406.0000 122143.7500 86625.3600 92187.9500 96654.1800 21786.8000 90430.2300 43277.4600 59802.9900 73849.5500 73837.0500 44431.3400 DG_NH4(36:0) 383592.7200 346097.6600 304516.2200 313699.5300 290103.4100 347435.1200 711150.0600 357483.0900 304251.7200 499128.7800 614296.6900 332029.1600 451484.0900 346593.7500 382196.3400 474739.2500 DG_NH4(36:1) 182607.6700 292381.6200 125458.6500 232693.8300 208359.9200 159453.0500 205505.6200 287413.4100 97654.6600 109403.3700 108164.1000 105833.3000 202361.0500 247478.3000 228522.7500 223560.4800 DG_NH4(36:2) 923903.6900 1262380.1200 817446.8100 1755322.3800 849544.8100 890208.5000 1194659.3800 1527810.3800 623195.4400 582657.7500 517295.8400 820806.5600 746179.6900 1373960.2500 1039583.1900 1328127.1200 DG_NH4(36:3) 1676719.1200 2710935.5000 1304084.5000 3248128.0000 1386594.1200 1576618.1200 1832046.6200 2698428.2500 1037950.8100 1023047.5000 684729.7500 1472704.0000 1094783.8800 1978043.6200 1713604.0000 2305785.0000 DG_NH4(36:4) 967962.3100 1540251.5000 667985.9400 1639233.1200 894155.2500 671251.5600 1131603.6200 1475380.3800 453818.6200 542830.0600 387727.3400 688528.4400 482526.9100 1010667.7500 935605.4400 976392.0000 DG_NH4(36:5) 44537.6600 56966.2700 54188.1100 148688.8600 69013.2100 93085.5000 102273.3400 153050.2300 70714.3000 52451.8100 24740.1800 79333.1800 97780.0400 131025.1600 77913.3200 134423.8300 DG_NH4(38:3) 95818.4300 215818.7300 76621.8800 154393.0200 92010.4300 104960.7100 112335.4600 147038.0200 47632.7500 54380.0300 21267.2700 64686.8500 67531.7400 116058.5400 89401.7000 102618.8800 DG_NH4(38:4) 110512.9600 172093.0600 188320.7700 358634.9700 211201.6400 184996.7300 165771.2500 227620.7000 65801.8000 168920.6400 56254.3000 147223.9200 110337.7900 116069.4100 94365.1900 106445.1000 DG_NH4(38:5) 430611.2800 816424.8100 719812.5600 1593789.1200 777501.1900 854977.3100 553346.5000 1032289.2500 213334.1700 266020.0900 211812.7300 321126.5300 195350.3800 349717.5900 252954.6700 485330.5300 DG_NH4(38:6) 608396.6900 1120709.5000 1022217.0000 2315781.7500 929425.8100 893010.2500 737533.3100 1677810.0000 301300.9100 368324.7200 293028.0300 460531.3400 231245.9200 378658.6600 316046.8800 544888.4400 DG_NH4(40:5) 36862.4600 72185.2200 54744.2000 117291.1200 65285.5400 53458.8600 57951.8900 63716.9600 17167.9400 13997.5600 13780.1900 8650.0300 5509.0400 40367.6100 28368.6000 52303.5800 DG_NH4(40:6) 86571.1300 118492.8400 114830.1200 213957.7500 114996.6200 114076.1000 117379.8400 160332.5600 56889.7900 47309.4900 38067.3900 65858.2000 38370.9400 77003.2600 37367.4100 86770.9100 DG_NH4(40:7) 590688.4400 760874.5600 958919.7500 1767395.3800 509684.5900 1406400.6200 538145.1200 1083868.5000 326791.0300 407656.2200 286289.7500 372242.7500 215110.5500 249899.5800 201645.0600 265892.1900 DG_NH4(40:8) 778211.6900 984677.0000 1398701.3800 2885308.7500 650023.0600 1452583.5000 555632.5000 1426930.6200 393188.1600 562064.1900 370045.3800 510994.5000 195165.3000 175313.2500 256957.7000 179161.6100 DG_NH4(42:6) 545191.9400 807585.5600 654898.4400 783431.2500 459859.5900 1142152.6200 647803.0600 536243.8800 1273969.1200 761963.2500 1745510.1200 1316395.1200 1392364.5000 605261.0600 1215735.0000 539544.6200 DG_NH4(42:7) 52872.4600 52913.3900 37174.3300 66405.9900 43014.0000 75185.4400 53766.2800 44503.5100 68645.8900 45819.3500 85251.8800 68655.0400 97546.1500 52408.6800 78174.4800 37577.6700 DG_NH4(44:8) 708118.3100 931000.5000 544241.6900 671394.6900 414099.4700 1099585.7500 576405.1900 622727.7500 1211924.3800 929038.5600 2401242.2500 1517359.5000 1716897.0000 872641.9400 1464450.5000 701166.1900 DG_NH4(44:9) 164751.0500 202564.7000 160172.0200 191767.2000 139279.4200 300545.0900 210357.5500 198498.6700 225292.6400 112911.4100 244103.3900 158442.1600 329960.4100 186081.9500 326936.6900 153296.1600 LPC(14:0) 24420.8500 48222.3900 26258.4900 42926.8000 39338.9300 38914.2700 33697.0300 48269.0500 31015.7000 37409.6900 24154.4000 35145.4900 30655.5700 36141.9300 33603.9300 29553.5600 LPC(16:0) 65709172.0000 80795256.0000 62768052.0000 77474104.0000 81987912.0000 62271060.0000 90602712.0000 116569176.0000 93575976.0000 74723944.0000 103491032.0000 86802608.0000 85263584.0000 86409544.0000 93869400.0000 92049856.0000 LPC(16:1) 458370.0000 542068.3800 361996.9100 471947.0300 613369.1900 406686.0300 610349.5600 808028.6900 682000.5600 621666.2500 685789.4400 739827.8100 802666.6900 767272.8100 724771.9400 931471.6900 LPC(18:0) 61914656.0000 91240960.0000 55748004.0000 80540104.0000 77862112.0000 68341576.0000 76081592.0000 90606304.0000 62242188.0000 41420624.0000 49640364.0000 51614060.0000 39469228.0000 46010352.0000 49262912.0000 48283260.0000 LPC(18:1) 6581440.0000 9878673.0000 5752736.5000 6449176.0000 10209096.0000 6584952.0000 10076732.0000 10980709.0000 14765164.0000 12012121.0000 11623507.0000 12423181.0000 15013000.0000 14837219.0000 13496043.0000 14711840.0000 LPC(18_1-d7) 20395214.0000 22188392.0000 19514034.0000 20869496.0000 22045046.0000 22239696.0000 22884986.0000 21340742.0000 21330306.0000 22431776.0000 25402000.0000 21258800.0000 21472912.0000 23949034.0000 23471698.0000 21244578.0000 LPC(18:2) 17222508.0000 27300034.0000 12648411.0000 13364987.0000 40254540.0000 17027820.0000 31243618.0000 32955754.0000 46795572.0000 32812952.0000 29065014.0000 32126662.0000 65316560.0000 63158124.0000 61018592.0000 61443812.0000 LPC(18:3) 115046.5500 152642.7500 84735.7300 90362.9100 237217.3800 148297.4200 251991.4500 299541.2800 283088.6600 169039.3400 244168.3800 223475.0200 451137.6600 537335.0600 474970.5300 447738.3800 LPC(20:0) 134186.3900 293286.2500 108142.5000 232440.4500 174118.2700 202311.1700 149934.7000 207493.1700 145003.9200 186787.2500 125165.3800 210461.0500 170773.4200 181141.4200 145628.1400 204784.5600 LPC(20:1) 155242.0800 410119.2200 140509.9800 280541.7500 281662.5300 340931.7500 264921.0000 357899.2800 240380.2500 271993.5300 241363.5500 277468.4100 270526.4100 320202.9700 237446.2500 340496.0300 LPC(20:2) 144627.6200 232684.1400 102893.7900 147860.5200 208056.5200 139932.5500 167555.2700 193803.1700 334490.2800 252129.4500 235909.9400 262960.2800 293053.2800 259214.6200 248023.5800 312823.7200 LPC(20:3) 328823.4100 527962.8100 233408.0500 293535.6600 448421.7500 236399.1700 513001.7200 410787.1200 1683434.3800 1368992.8800 991720.7500 1034777.4400 1331301.6200 1554499.8800 920828.5600 1406307.1200 LPC(20:4) 2824408.0000 5439056.0000 2141400.2500 2519425.7500 4317752.0000 2397154.7500 4288211.0000 3854316.0000 11800172.0000 7948215.5000 9033768.0000 6886334.5000 9852157.0000 8788032.0000 7908117.5000 9482764.0000 LPC(20:5) 167814.9800 252900.1400 167082.6100 198831.3800 458709.0900 206719.5000 457492.2500 405642.8800 408034.3800 178116.3000 375354.9700 256935.1700 894330.5000 956837.6900 1052372.5000 825110.6900 LPC(22:0) 107857.4300 153597.1100 99525.3800 141419.5000 156926.0500 112157.2100 123553.6800 140756.0800 133575.4700 121940.7300 128546.1000 132157.4800 123501.0600 121487.1900 140371.6100 146584.4800 LPC(22:1) 35957.8100 60521.2000 33221.3500 43864.8900 37232.1800 38292.2500 35571.5100 33841.1400 47608.1600 40446.5500 44303.2600 40936.3700 32661.7700 47970.1100 40329.7900 51559.5100 LPC(22:4) 28394.9900 43217.4600 24042.4300 29035.7200 42513.8100 31440.0100 42963.8900 35521.1100 69481.2700 41671.8900 39545.9400 38125.5900 37982.4800 51876.2000 28769.3400 47961.9300 LPC(22:5) 106917.5400 142226.0000 93290.3700 100833.5400 159828.9800 65665.6600 138298.3000 187178.9800 412919.5900 226369.2300 211608.8000 225368.1900 132317.8000 217482.7700 211225.3800 288657.8100 LPC(24:0) 198334.2000 253837.7500 168291.4800 251477.4500 241110.8300 196847.3000 230160.9800 244690.6700 301538.0300 139094.6100 237241.9500 224084.9200 237231.3300 220118.2500 280573.0300 239105.7300 LPC(24:1) 39976.9500 60697.1200 32356.7000 38005.2700 61116.9500 48605.5600 38957.3300 41380.2700 48178.2300 46783.3400 46604.8200 55975.3900 42950.8700 64684.1400 58452.9500 55429.5400 LPC(24:2) 8255.2300 14024.3300 7317.2000 7834.9800 11205.4700 9774.2900 9581.5200 9632.3900 16796.2600 6750.6900 11994.3400 12428.8600 7290.2500 14944.4100 18499.5800 11760.5400 LPE(16:0) 1062356.1200 1440600.3800 1202737.6200 1857236.0000 1730836.6200 1283528.6200 1633210.1200 2220214.2500 1898170.0000 1183452.8800 1266030.5000 1346388.7500 1255286.0000 1331522.5000 1535529.8800 1581982.5000 LPE(18:0) 1712334.1200 2216569.7500 1908130.1200 2405009.2500 2392307.7500 1956271.3800 2235886.0000 2599334.2500 2287703.0000 1490144.0000 1587576.0000 1539995.8800 1561393.6200 1594232.6200 2039653.3800 1769305.3800 LPE(18:1) 177140.4200 305412.7800 174664.3000 267371.4700 367541.7500 299738.6200 306653.0600 334947.1200 358240.1200 326188.1600 233759.5200 292323.2200 458255.4100 490202.4100 540967.3100 457957.6600 LPE(18_1-d7) 3209760.0000 3726180.0000 3248548.0000 3572705.2500 3514003.7500 3548017.2500 3651618.0000 3279543.7500 3614116.0000 3353080.7500 3792236.7500 3742105.2500 3332016.7500 3489911.0000 3815592.0000 3707594.7500 LPE(18:2) 728717.1900 1107474.2500 592361.3100 734399.5000 1562773.0000 900237.6900 1213703.3800 1191888.6200 907829.7500 775247.1900 602927.4400 563282.2500 1763820.5000 1767260.0000 2080499.3800 1482490.0000 LPE(18:3) 8588.2300 6507.6300 6765.2600 3239.6700 26193.6000 16940.5300 21589.5400 32778.0900 26964.9600 8765.6300 3428.8300 4051.3000 40222.9500 54556.3200 61501.8200 53935.9300 LPE(20:0) 827993.4400 1491972.6200 775652.0600 1093533.6200 1089921.1200 1092582.0000 1064427.3800 1500468.5000 1012027.6900 1182472.1200 917297.8100 1214125.6200 1049210.2500 1225406.2500 965787.1900 1092056.6200 LPE(20:1) 54275.2100 81151.0600 45070.1900 52473.8600 90234.5900 69788.0300 78655.8700 85209.9800 113532.9100 111151.1500 89954.6200 120479.5400 138183.9200 133209.0500 123944.4100 114101.5600 LPE(20:3) 17747.1600 27642.6300 12970.9100 9723.3500 27005.8400 9604.9000 28272.5900 15015.8700 37206.8800 43048.4600 22032.5900 32576.5400 53415.7900 53558.2400 60795.4600 54496.7500 LPE(20:4) 747566.0600 1032091.0000 652255.3100 731694.0600 894593.4400 586051.3100 893248.6900 899146.9400 1112771.5000 1242344.6200 1133395.3800 760767.5600 1150323.7500 1099208.6200 1482469.0000 1107391.2500 LPE(20:5) 64037.2800 77701.9400 58794.4600 46578.7700 122413.9300 59765.4100 102030.4600 124463.9000 57385.2000 58412.7500 53266.6100 25535.0800 117971.0600 114459.1200 156716.8000 95723.0500 LPE(22:0) 180880.2500 652502.9400 212626.7700 361005.4700 244132.5000 450701.3400 283669.2200 566482.9400 172811.3300 407302.5900 164153.3100 348232.8800 289500.2500 430065.3800 249781.7300 349906.4100 LPE(22:1) 29406.8400 55212.9600 29572.2400 34028.9800 42384.1800 38566.8500 38482.5800 49802.0900 46540.2800 50164.5800 40164.2300 45111.0600 56709.4300 51336.3300 46398.7000 29513.1300 LPE(22:4) 7939.0400 12173.8300 9265.8300 12165.6500 12020.3800 4393.6300 9567.2200 6447.3800 14852.2200 18162.1300 9960.9800 12128.8000 14117.7500 12908.3600 16069.8600 10236.3000 LPE(22:6) 1364559.6200 1533286.0000 1053745.8800 1097312.2500 1433637.6200 680337.3100 1463167.5000 2030887.3800 1807042.1200 1738328.6200 1930288.6200 1362144.5000 1366807.6200 1357096.5000 1917370.6200 1935782.5000 MG_Na(14:0) 68108.7000 72237.6000 70584.8600 73497.1200 86470.4300 84783.5600 76239.5400 88059.7400 183646.3800 130722.0500 115319.7700 193137.7500 181555.6400 147486.9800 174119.2700 129500.2000 MG_Na(16:0) 1306167.6200 1550397.1200 1397245.2500 1459589.3800 1627068.8800 1587432.3800 1495454.3800 1533054.5000 4348007.5000 4575418.5000 2813318.7500 5773762.5000 4374494.0000 3469723.7500 4323830.5000 2214537.2500 MG_Na(18:0) 3035389.0000 3067551.2500 2873039.2500 3406846.0000 3271686.0000 3366418.7500 3680222.7500 3411869.7500 6912115.5000 6804146.0000 4680660.5000 7481711.5000 5783433.5000 4806738.0000 5872077.5000 4182010.7500 MG_Na(18:1) 602148.0600 706368.4400 440756.6200 483569.6600 384105.1600 345841.0300 562704.4400 505056.9100 460725.2500 558178.4400 810055.5000 461627.8800 496232.5000 471582.2500 538859.0600 423890.1600 MG_Na(18_1-d7) 1406360.6200 1376613.1200 1375892.1200 1436935.3800 1407497.0000 1436702.8800 1334455.0000 1388730.1200 1259302.1200 1386993.6200 1376657.8800 1452817.3800 1449789.1200 1454886.8800 1419947.0000 1298748.0000 MG_Na(18:2) 1177942.1200 1096774.1200 759689.5000 730438.0600 545125.8100 466578.3800 745730.5000 761658.1900 862140.1900 1050215.8800 1610519.1200 736470.1900 953683.3100 714202.0000 1081976.5000 766752.3100 MG_Na(20:4) 41725.7900 50023.1700 36127.0200 22003.7300 17876.7500 28757.3100 27696.2900 24495.8500 29452.0500 61009.2600 51069.1900 26746.3900 26087.4300 21667.2700 30208.3600 30701.8400 MG_Na(22:6) 103408.6200 38896.7900 77483.0500 36242.1400 50242.9400 17183.4000 36130.3700 53737.9300 66060.8000 89134.3400 111774.0900 52472.1500 42155.7300 30910.2300 54552.1800 31506.5600 MG_NH4(16:0) 411526.5300 486560.9100 442351.4700 486692.4100 560248.0600 499637.3400 516684.7200 503973.7500 1785101.8800 1697351.3800 973168.5600 2193691.2500 1507626.1200 1141410.0000 1613687.3800 901202.5000 MG_NH4(18:0) 1383402.3800 1601129.1200 1404983.8800 1686703.0000 1637871.0000 1744569.0000 1927819.3800 1702915.6200 3608175.7500 3955351.0000 2520125.7500 4380875.5000 3115563.0000 2482289.2500 3419274.7500 2376821.7500 MG_NH4(18:1) 243776.4500 321694.4700 199205.5200 201260.6700 163316.0600 137161.2700 233461.1400 194300.7000 185922.7300 263476.1900 321833.0300 163232.4100 233436.0800 190466.2000 237650.7500 174688.1900 MG_NH4(18:2) 867663.2500 883082.5000 572397.8100 581700.3800 464741.4100 307230.0900 632052.3100 578633.5600 574871.2500 693164.7500 1104717.3800 513489.0000 602014.8800 478794.7500 725763.8100 499081.5000 PC(30:0) 524852.9400 315061.5900 596571.4400 514754.8400 765335.3100 414998.2200 650680.0600 652660.9400 409223.0900 488793.3400 362940.7500 491719.6600 512515.8400 476778.2800 603018.6200 558819.1900 PC(30:1) 20794.4900 26865.4100 30600.3200 17507.7500 31344.8300 12574.1600 18208.6900 37617.6600 11606.4500 25487.7700 17145.2900 26944.4900 17977.8900 19217.6900 18587.9400 18125.0300 PC(32:0) 7576410.0000 6626207.5000 9252383.0000 8789148.0000 8856603.0000 7404757.5000 9831461.0000 8274806.5000 8290545.5000 7852440.0000 10505460.0000 9372840.0000 9890083.0000 10201837.0000 11514692.0000 10816368.0000 PC(32:1) 1809689.0000 1673072.6200 2363231.0000 1896800.8800 2779607.2500 1608115.0000 2519401.7500 3013164.7500 1815520.5000 1536480.6200 1562997.0000 2557985.0000 1967724.3800 2907022.0000 2691235.7500 3135380.0000 PC(32:2) 493246.2200 504539.1200 545037.4400 468866.3800 855583.6900 371758.3400 780422.5600 789765.2500 552385.1900 501506.1600 455106.5900 638209.7500 581547.4400 835674.0600 919546.0000 929187.1900 PC(33_1-d7) 73529888.0000 84047976.0000 82787272.0000 78096600.0000 65311788.0000 79794776.0000 66829568.0000 62072172.0000 86368808.0000 84343144.0000 97733976.0000 74849704.0000 82287592.0000 81029600.0000 76659872.0000 61072544.0000 PC(34:0) 1367434.0000 1798195.5000 1047486.3100 1579594.8800 2457511.7500 1702118.5000 2432824.5000 1857346.3800 2132533.2500 1421443.1200 2359756.2500 1755443.6200 2724661.5000 4173242.0000 5122602.0000 3883556.0000 PC(34:1) 88412168.0000 105339584.0000 132386752.0000 118997672.0000 98915576.0000 63683908.0000 118117496.0000 128880232.0000 89735368.0000 81646528.0000 83736224.0000 102630424.0000 73364040.0000 90272184.0000 78709696.0000 92054664.0000 PC(34:2) 212097920.0000 252094976.0000 247043504.0000 277712064.0000 292727072.0000 242279152.0000 295220704.0000 320203168.0000 216886864.0000 190150848.0000 196683264.0000 201613968.0000 238800400.0000 279005408.0000 320094208.0000 304597216.0000 PC(34:3) 2957473.0000 3813591.0000 3211591.2500 4012945.7500 6239688.0000 3364948.7500 5774285.5000 8356480.0000 3181254.7500 2865782.0000 2710938.7500 4399877.5000 4556158.5000 5929638.5000 6637642.0000 7615039.5000 PC(34:4) 83308.1600 88801.3100 86473.3400 75153.9700 130613.2300 71055.3500 137617.6200 157515.4200 117875.2700 103915.9600 41877.2200 133944.4200 193012.0000 238932.7300 214069.5200 253084.9800 PC(36:0) 290558.6900 596194.3100 182746.9400 296529.6600 322019.7200 299226.7200 490818.8400 347442.8400 585056.5000 280012.7800 560721.3800 330056.5300 415063.6600 579196.3100 535924.9400 629181.1900 PC(36:1) 20557406.0000 24454734.0000 19915470.0000 27722578.0000 28119462.0000 24474560.0000 27679710.0000 37744196.0000 17301412.0000 16440143.0000 13515213.0000 19093106.0000 16079783.0000 24421742.0000 13960376.0000 20844514.0000 PC(36:2) 159293088.0000 225664176.0000 191014208.0000 223215216.0000 245266560.0000 197292848.0000 248131072.0000 253727920.0000 145230960.0000 124358728.0000 127700608.0000 148951008.0000 197857392.0000 229578928.0000 233511440.0000 232846720.0000 PC(36:3) 19269412.0000 29882882.0000 19384208.0000 24782486.0000 37187992.0000 30199098.0000 28892794.0000 31276610.0000 23995840.0000 23449832.0000 21189382.0000 25208362.0000 35902940.0000 51175668.0000 46147660.0000 41071908.0000 PC(36:4) 33990364.0000 51695008.0000 39339424.0000 50938412.0000 38271924.0000 36000660.0000 44550736.0000 48072180.0000 54959812.0000 50866476.0000 63861452.0000 54980444.0000 54654244.0000 57403892.0000 58338572.0000 61418412.0000 PC(36:5) 4466869.0000 5747702.5000 4638764.0000 6598014.0000 12689601.0000 5256890.5000 11243560.0000 12926544.0000 3007732.0000 1998886.3800 3317525.0000 4774444.5000 11202957.0000 13828699.0000 15441268.0000 14620305.0000 PC(38:1) 229696.1400 317672.0300 202708.3800 273522.6600 433094.9100 402369.8400 371426.9100 349003.7500 224333.2000 203337.0600 223779.8300 244129.1400 216488.3900 378770.1200 320292.6600 382778.6600 PC(38:2) 1530110.0000 1972641.8800 1309632.6200 1707147.5000 2435154.7500 1800921.6200 2087026.5000 2212189.7500 1455785.6200 1264788.3800 1153157.7500 1610782.6200 1936642.5000 2353069.2500 2004591.1200 2016131.3800 PC(38:3) 5931252.5000 8909825.0000 5422020.5000 9659566.0000 7303688.0000 7773726.5000 7749622.5000 5139077.5000 8500465.0000 8430157.0000 6749490.0000 9687488.0000 7742718.0000 9997101.0000 7243455.5000 8129336.5000 PC(38:4) 46299360.0000 80221368.0000 59122988.0000 72453064.0000 53748384.0000 47181376.0000 64768928.0000 65879980.0000 66257924.0000 55423744.0000 68135800.0000 66560532.0000 47536732.0000 55659404.0000 52856132.0000 58379744.0000 PC(38:5) 9160496.0000 14603736.0000 11075131.0000 15193275.0000 12247932.0000 9818559.0000 13021612.0000 17716038.0000 9106828.0000 7361107.5000 8859028.0000 10011713.0000 12088204.0000 14904829.0000 13433259.0000 12559535.0000 PC(38:6) 63244228.0000 64221952.0000 69298072.0000 92501576.0000 58473776.0000 58611472.0000 59674532.0000 101953080.0000 68312168.0000 52771632.0000 87800376.0000 70355640.0000 34363600.0000 43821876.0000 42430548.0000 55023008.0000 PC(40:1) 23874.4200 34085.7700 16943.9400 23045.0500 34325.1100 36222.1600 26228.8100 38514.4700 29131.4400 25768.3600 22677.1500 32136.2300 26488.8100 46501.5100 14531.8900 39489.6100 PC(40:2) 83081.2600 133700.0500 70583.3000 87631.3500 173512.1200 100030.4100 122868.5600 128380.4900 73884.2000 83246.6500 52598.6100 63215.1700 141244.2700 187778.3800 126218.8100 122030.0200 PC(40:3) 74580.7300 174797.9200 61030.3400 59325.7900 105710.7600 80758.0000 40496.2800 141901.2300 73193.1600 53685.4200 36409.4400 59250.1800 86173.2700 157612.7700 121136.1500 112337.1600 PC(40:4) 433292.3800 582916.0000 548542.1900 735644.5000 693042.5000 691078.6200 631175.8800 653898.9400 439442.3400 355894.3800 390061.7800 426752.0900 394112.5900 369797.4100 401219.8400 394392.0000 PC(40:5) 1028222.5000 997298.4400 508077.8800 1121354.0000 1497977.6200 529750.1900 1286550.6200 1617252.6200 1512715.0000 713610.6900 369024.0900 883721.8100 281817.2200 1012019.0000 1111317.3800 797389.1900 PC(40:6) 52088000.0000 68849256.0000 51163264.0000 85972720.0000 53069568.0000 49347636.0000 58722436.0000 89456328.0000 39803684.0000 24161614.0000 34584372.0000 41953640.0000 17430262.0000 21565854.0000 25481360.0000 29092976.0000 PC(40:7) 2281720.2500 4141509.7500 2165218.2500 4139716.7500 2496273.2500 2782757.0000 2724556.0000 4456070.0000 2982108.0000 2603946.7500 4363355.5000 3615368.7500 2034732.5000 2478022.2500 1918510.6200 2898527.0000 PC(40:8) 1021251.6900 1505553.1200 839872.4400 1430569.0000 1276314.1200 1135672.2500 1167564.1200 1745949.8800 979309.3100 934114.4400 983963.2500 1196054.0000 970506.5000 1063263.5000 993318.8100 1552945.3800 PC(42:1) 19332.8000 18247.8300 6601.1400 5022.4500 17660.5100 9831.6000 14642.2000 9015.8300 14031.9300 13524.3100 27663.0400 17599.0700 18019.8400 15739.0700 22365.4400 11453.2600 PC(42:10) 179902.0500 281703.1200 190552.3300 297901.1600 260024.7500 210010.2000 229412.9800 333036.5600 233658.0500 147926.4800 183657.3300 166066.8300 202080.6400 257595.7700 198788.0200 290650.7200 PC(42:11) 545399.1900 523755.4700 429877.3800 469311.3800 794545.5600 656341.5000 722991.3100 625060.7500 430001.4700 544771.2500 565859.1900 536460.5000 783855.8100 880506.5600 895191.2500 755713.8100 PC(42:2) 61971.1900 83300.6200 39102.1100 65992.5100 110184.8700 81477.8100 69115.6600 80761.8600 55348.7500 49643.9800 58619.5500 49203.3300 90858.2400 104901.8400 95293.8700 78535.6200 PC(42:3) 44625.8900 63005.2500 37625.4500 39834.9500 101708.2200 72296.0700 47672.5200 47853.6200 35643.4500 19523.6400 20107.3100 29003.7400 72381.5100 91072.9500 104524.8700 82425.3400 PC(42:4) 66595.4600 53553.6700 38953.0600 59907.3000 74278.7000 69624.1600 69758.7300 63755.3300 57797.3600 35858.5900 35252.4500 46168.3100 66518.6500 73930.5000 81333.4900 47333.6100 PC(42:5) 70433.3400 98253.0400 77793.0600 135792.4400 105684.5600 79465.7600 125501.1300 144846.0000 84505.5300 54085.2200 51372.2500 129041.0000 48923.2500 60748.9400 78064.5100 84741.1000 PC(42:6) 76708.3400 163268.0800 94480.1900 236411.0000 113087.8100 166562.8300 112128.1600 191662.3800 81845.6900 94993.2800 73984.1000 161628.4500 78118.2400 38596.9300 40035.3000 96205.2200 PC(42:7) 124099.7700 239614.7300 144316.3000 232393.6200 93663.2300 79271.0500 76347.1500 234648.0000 121371.3700 117781.7000 118070.2200 119684.2300 121418.5500 70383.4000 61094.8600 52566.2900 PC(42:8) 245444.5000 306723.0900 220693.5800 366189.9700 218224.7500 181305.7500 215855.9500 408803.0000 133205.5600 101240.1800 117153.4500 155850.1900 94903.7700 71562.4300 77990.9200 82328.0400 PC(42:9) 32595.7700 46474.0700 43139.9900 20670.7500 49986.8400 36287.8100 29386.7200 64924.8800 28221.8400 29090.6900 12832.0600 13899.4200 26560.5100 17879.2100 27612.8600 37970.4400 PC(44:10) 17120.5100 11936.0800 12077.8800 7351.9700 95745.3400 51253.1700 85893.0100 30124.4400 16605.0100 24569.8800 22172.1000 34449.0300 109659.6500 123230.4600 110228.6600 106958.3800 PC(44:11) 325010.2200 419754.0000 215775.7000 205056.1400 1061526.1200 718373.4400 870532.8100 583082.0600 298814.3800 265004.3800 283251.6200 324044.0900 1083463.3800 1120808.6200 1132720.1200 1001614.6900 PC(44:12) 43454.2900 86188.0400 42602.6700 41391.6400 82375.5600 45989.5000 75023.0900 90779.0500 67448.6600 43350.6600 21710.7800 40458.7300 54971.0200 66470.6900 128780.3400 96521.7100 PC(44:4) 13686.4200 19720.8700 16109.7900 19701.2100 22499.5600 43560.6400 42087.5000 27310.0100 22495.5000 23138.5900 15536.0400 18010.0000 50629.6800 35801.3400 47318.4500 47928.7700 PC(44:5) 12340.1700 29028.5000 9990.2800 17591.3500 26762.4600 26103.5200 21490.7700 20811.4800 20666.8700 12810.7200 12234.6600 9464.2800 39690.4800 47258.8500 37215.5900 33424.3400 PC(44:6) 5490.1800 15600.6300 5603.6400 21660.8000 13024.1300 17825.9500 17884.0600 17171.2600 8402.9300 7449.9400 5585.0000 5160.7300 20697.7200 20024.5500 13518.0100 12576.2100 PE(33_1-d7) 2038586.1200 2073590.3800 2182668.2500 2042662.0000 2222275.0000 2405197.0000 2099017.2500 2095437.6200 2249423.2500 2225765.7500 2418930.0000 2089926.3800 2147229.7500 2487610.2500 2485315.7500 1674836.1200 PE(34:0) 127039.4400 136212.5600 158817.6100 142358.3800 120051.5700 95123.1000 136181.1400 85355.8700 139360.6200 182681.2500 152812.0000 178522.8100 168536.0000 254741.3000 207349.9500 201303.9800 PE(34:1) 74474.9200 116808.3500 142056.0500 374956.3400 187691.1100 238667.5800 149669.7000 223345.7000 45850.4200 154569.8900 32679.6700 55681.8600 142117.2200 208909.8600 182800.2300 244493.2700 PE(34:2) 1197776.6200 1839846.3800 1971942.0000 4215625.5000 1707466.6200 2567578.2500 1340059.0000 2389761.0000 345101.8400 373656.2800 288454.9700 512954.6200 610864.8100 999075.0000 807619.4400 991537.6900 PE(34:3) 23242.6400 34617.0200 53945.5400 100667.3500 58247.6200 58043.5500 53956.2500 120868.7200 3568.1200 4206.4300 4255.3300 11652.1600 12577.9800 55075.0300 32855.9300 42939.8300 PE(36:1) 104345.7400 196935.4800 139517.5300 220583.8300 381347.4700 398501.8400 315459.7200 281794.8400 90306.0400 177737.8100 51332.9900 113704.1900 312254.5900 510911.6600 370983.7800 431052.4700 PE(36:2) 1420726.6200 2272823.2500 1967787.1200 3114657.0000 3414909.2500 3587910.0000 1968989.3800 2802441.2500 725820.3100 835638.3100 482857.4100 834669.8100 1636942.0000 2865699.0000 2350188.2500 2277301.2500 PE(36:3) 329529.3800 769387.4400 423493.8800 862143.0600 710611.2500 988656.3100 555280.2500 789831.4400 162849.2700 304180.8400 139886.7000 268691.5000 548930.9400 722060.5600 638313.5600 581295.5600 PE(36:4) 904902.7500 1556038.0000 1180017.6200 3038472.2500 1070358.3800 1956003.6200 905103.8100 1551459.6200 429462.2500 519231.0900 410114.2500 594076.0000 417724.0000 838453.8100 512090.4100 867889.4400 PE(38:4) 2166367.2500 3651143.2500 3998312.0000 6716802.5000 3289218.2500 4893599.0000 2440699.0000 4892877.5000 1495476.0000 1535116.6200 1190869.8800 1776672.8800 1546847.3800 2496884.2500 2098355.5000 2295854.7500 PE(38:5) 453066.7200 864059.0000 759532.6900 1308805.6200 683685.1900 932065.5600 597414.9400 1124923.6200 224523.0000 582949.0600 273070.9700 333082.2200 386976.4100 543470.1900 460537.0000 557492.4400 PE(38:6) 3049907.2500 4133656.7500 4269312.5000 7820443.5000 2984793.2500 3830859.2500 3079225.0000 7054561.5000 1195726.8800 1251045.8800 1268680.8800 1546520.0000 1113853.0000 1890958.3800 1442707.0000 1966954.1200 PE(40:6) 1310301.3800 1695129.8800 1955683.3800 2791182.7500 1768832.8800 1670798.0000 1588173.0000 3327632.2500 1003620.5600 1059183.6200 794540.8100 1359704.7500 666712.3100 1055565.8800 1124465.0000 1390803.2500 PE(40:7) 374169.2500 564785.6900 336316.8400 659234.9400 473988.8800 502389.5900 430086.7500 923777.5000 206789.0800 436784.3400 262314.4100 427232.0900 228156.0000 383797.5000 259797.0000 353305.2500 PS(33_1-d7) 521374.2800 601447.1900 510946.2200 604985.8100 590538.8100 544291.3100 587514.5000 527345.5600 487543.4100 533808.7500 645257.3100 482458.2200 590764.0000 535465.1900 611118.5600 522478.5900 SM(d18:1/16:0) 52862260.0000 40844356.0000 66403340.0000 48401776.0000 65797580.0000 41677364.0000 55957484.0000 54874484.0000 27735458.0000 16636796.0000 27476808.0000 19722238.0000 19856670.0000 17189110.0000 28142606.0000 23139910.0000 SM(d18:1/18:0) 4326579.0000 1539663.3800 6163633.5000 1793312.3800 5197110.0000 1533695.0000 4305330.0000 2453930.7500 7181308.5000 2365863.5000 6294754.0000 2608405.5000 2578927.7500 2382762.7500 5189090.5000 2315898.2500 SM(d18:1/18:1) 927029.1900 650129.5600 1239827.5000 776787.3100 1278398.0000 663947.6200 1053718.1200 839407.1900 1567584.1200 604350.2500 1131024.0000 649251.6900 820815.0600 621065.1900 1355737.5000 771174.7500 SM(d18_1-18_1-d9) 22879082.0000 22949626.0000 23961274.0000 22725872.0000 23531870.0000 23808214.0000 25497326.0000 24133794.0000 24094366.0000 24211386.0000 23237544.0000 22649082.0000 22936474.0000 24521578.0000 22545094.0000 23658578.0000 SM(d18:1/20:0) 686672.9400 392085.9700 1098323.0000 805171.6900 792558.0600 514537.5300 866295.6900 844443.1900 974347.9400 757818.0000 986999.6900 775694.1900 476455.2500 518695.6200 673649.6900 649940.3100 SM(d18:1/22:0) 4670039.5000 6423781.5000 5610868.5000 10385091.0000 5019018.0000 6150209.5000 5144550.0000 9862548.0000 5074634.5000 4626113.0000 4796144.5000 6713983.5000 2731622.7500 3829161.2500 2439644.5000 6083958.5000 SM(d18:1/22:1) 1102398.2500 1451197.6200 1405441.6200 2104191.2500 1577860.0000 1519898.6200 1517595.0000 2376784.2500 1374166.1200 1071202.8800 1403562.3800 1850403.8800 719149.5000 1039613.5000 1037530.5600 1341025.3800 SM(d18:1/22:2) 384290.0000 356316.0900 767891.4400 464467.4100 561537.2500 265310.9100 554956.4400 595273.6900 520561.2500 275872.1900 379716.4100 287241.7500 302680.2500 335472.3400 387904.0000 369880.7500 SM(d18:1/24:1) 25430608.0000 24160394.0000 33489882.0000 31902928.0000 28882576.0000 28395894.0000 26309654.0000 32382624.0000 26688106.0000 16892412.0000 20450074.0000 18056010.0000 15236699.0000 16790758.0000 18917240.0000 18226768.0000 SM(d18:1/24:2) 5952925.5000 5912344.5000 8002558.0000 8843193.0000 7952566.0000 7684595.5000 6514973.5000 7709412.5000 5947076.0000 4533484.5000 5452122.5000 5452174.5000 3916732.7500 4432917.5000 5046066.0000 5470279.5000 SM(d18:1/24:3) 466070.0300 419240.8800 590339.3800 568742.9400 548392.2500 381637.0000 498405.6200 456313.0900 440691.7500 277353.1600 425486.8400 410872.4100 303089.1900 322703.8800 446489.5000 433756.7800 SM(d18:1/24:4) 388453.7200 159907.4500 822654.8100 275400.4100 473505.5900 214541.6200 617461.1900 417509.2800 496097.4100 233677.0200 425833.2500 122035.4100 386662.0000 316421.6200 454300.1600 345062.6200 SM(d18:1/24:5) 232284.0200 70865.8700 344228.9700 58175.6700 215399.8100 20747.6800 265335.9100 177670.1200 500704.1600 194805.8000 359920.3800 140821.5200 242313.3100 147781.7200 231057.3800 160487.7700 SM(d18:1/24:6) 103007.9400 64672.8400 177937.7300 81469.0900 125703.7300 36182.6700 106170.2800 111816.1500 228056.2700 99100.9100 163114.2200 80224.6800 182871.3800 69927.5300 157818.8300 124579.0500 TG_NH4(42:1) 4460.1500 28095.2400 2590.7400 8110.0700 3952.6900 7316.4600 7915.0000 3143.9300 6385.2000 7785.5500 3400.2200 20649.9400 75871.7700 23426.9300 62404.3200 TG_NH4(42:2) 7054.8700 26033.4900 3421.7000 4256.0800 4764.8400 3512.9400 2868.6700 3569.8400 3220.3700 3511.5700 49908.2700 16476.5500 38843.9300 TG_NH4(44:1) 18373.4300 47730.9900 4117.0500 4208.1500 19080.9000 12216.5800 43667.5000 15421.9000 3739.0500 17712.2500 10312.1300 19883.5500 38657.4400 243108.2700 57906.4600 181243.7700 TG_NH4(44:2) 29982.7800 99038.6900 11778.3400 8723.6800 31405.8200 20800.5400 43599.8200 41927.7400 3996.6700 15526.5000 11201.3800 10700.5500 49435.0400 293952.3100 108720.2900 228855.7000 TG_NH4(44:3) 28326.2100 48200.2200 8381.8700 5490.7200 9301.4000 3734.9300 21137.0600 14523.7400 7679.1100 3930.4000 5437.8700 17754.3900 125407.2500 52995.2700 119489.7100 TG_NH4(46:1) 52577.7700 64701.7900 30126.3500 10681.2300 47547.5500 25137.6200 94418.2800 69542.2000 9487.7100 35672.4300 26665.9600 18109.7200 84638.2400 296920.3800 109921.8800 235136.0500 TG_NH4(46:2) 132145.6400 188043.9500 55239.8300 54466.3600 63846.8300 36757.6400 137737.8000 132095.6400 15839.9300 52430.8900 68434.6600 81584.3000 95436.4400 661371.1900 178655.0500 481256.4100 TG_NH4(46:3) 93766.8700 230158.8600 59645.4600 60034.1400 86453.7800 35521.9500 88429.2300 89671.2900 33445.6100 41677.5300 38635.2400 51681.5200 69930.8600 470361.5000 149168.3300 359608.8800 TG_NH4(48:1) 123321.1500 115572.0200 69579.7700 63696.0500 132399.8000 79007.3100 233356.3900 191150.1700 65617.6000 92912.3800 82921.7900 101615.7300 273674.7200 794550.8100 307070.3400 495226.0000 TG_NH4(48-1-d7) 1649803.8800 1939039.0000 2270314.0000 1823259.6200 2056203.0000 2396041.2500 1600694.3800 1562029.3800 2491642.7500 3146806.0000 3621145.7500 2763050.2500 3034340.2500 1647238.8800 1871732.6200 1669412.3800 TG_NH4(48:2) 373931.6600 346072.0300 127278.6600 143004.8900 260436.2300 145993.8300 541909.6900 316293.0900 125172.2500 139817.9500 181695.0600 260917.5000 388160.5300 1453030.8800 779259.0600 1334813.6200 TG_NH4(48:3) 276818.6200 449471.9100 123309.6000 131614.1900 184275.1400 99975.1000 265925.8800 231988.8900 102353.7600 118171.8200 106178.4500 161307.2300 237316.3900 1126524.8800 454424.2800 870878.2500 TG_NH4(48:4) 179193.6700 348672.4700 109313.9100 106099.4500 160163.6600 49972.7200 162025.2700 189051.1200 61447.6900 117267.7200 92178.3500 143240.0500 101778.8000 625106.7500 209694.9500 512937.6600 TG_NH4(48:5) 87811.5200 101167.1300 40985.1900 50046.1200 64357.9400 25931.3200 58517.2200 82723.5000 29292.8700 38625.8100 27551.6200 47226.6200 36175.1100 233474.6200 93745.0900 174340.6200 TG_NH4(48:6) 14670.5600 25751.8100 8481.9500 5076.9100 25021.0900 5306.3300 12360.6500 12830.4200 4636.4200 7762.0800 10563.9000 14419.2100 16591.3300 66923.7200 42795.5200 66180.3000 TG_NH4(48:7) 6598.2300 4628.5000 2792.6100 7622.0800 11115.7300 3191.3600 10147.6600 3915.6300 3556.1300 2490.6200 2774.1300 4378.8200 28701.8200 13447.4100 17010.2100 TG_NH4(50:0) 85770.4800 137144.4500 33752.3800 22516.8400 84146.2700 160023.3900 231639.8600 55260.9900 44024.7700 33484.1300 83242.8900 44726.5200 143563.8300 348023.3400 211597.4200 221936.4200 TG_NH4(50:1) 870607.1900 914289.0000 642474.9400 693786.5600 796760.5000 587205.1200 1836182.5000 1165545.2500 661374.4400 396453.3400 936251.9400 608171.0600 1044091.5000 2024059.1200 1755257.3800 2181135.0000 TG_NH4(50:2) 1736533.1200 1522654.3800 1044261.9400 1040732.0000 1624833.0000 1180286.2500 2685387.2500 1771738.3800 1209984.8800 1170343.8800 1402773.8800 1653413.8800 1580917.3800 3824632.0000 2826676.0000 4371403.5000 TG_NH4(50:3) 1030637.4400 1440837.8800 657123.0000 913493.6900 992801.5600 627978.5600 2165569.2500 1220119.6200 734071.0000 697560.1200 786628.5000 1277699.1200 1550735.5000 5272902.5000 2510029.2500 3871879.7500 TG_NH4(50:4) 864990.5600 948987.4400 345367.3400 453867.7800 569367.0600 384776.2500 1009615.0000 829027.4400 381194.5000 417246.2200 378646.6600 703646.8100 713666.6900 3270014.0000 1558793.6200 2540282.5000 TG_NH4(50:5) 246432.4500 317461.7200 190569.5000 206846.3100 233953.9400 117303.2000 391805.4100 316425.9100 115891.0900 146876.1600 147992.2300 207068.6900 182329.1200 1221663.8800 441079.1200 979209.0000 TG_NH4(50:6) 161965.2300 166138.7800 102620.4800 128018.8700 191887.5800 38960.6400 164405.5500 234410.0500 57182.8600 71839.0800 83762.2000 90033.7000 105286.0700 505654.2200 253863.5500 414865.7200 TG_NH4(50:7) 94220.1500 71625.9700 81353.1300 57731.7100 122814.5600 23099.7700 69147.1200 143152.3800 33773.5000 27194.5100 54532.7300 42548.5900 43583.6800 125668.5900 85896.2700 105286.0200 TG_NH4(50:8) 40268.8800 24919.8700 40497.8800 24306.8400 52896.9300 3193.2000 30587.4000 97584.5100 10749.8700 7735.7300 16897.7800 13176.8000 21889.7200 19016.3900 38972.9500 35701.1800 TG_NH4(52:1) 447052.1200 698149.6200 237252.7300 198909.3900 504204.8400 225026.8000 965150.9400 254323.0200 155131.3900 65769.4300 290556.9700 104851.6200 484078.5900 1718481.1200 938386.7500 1151859.8800 TG_NH4(52:2) 5209981.0000 6253174.5000 4795845.5000 6854478.5000 3763520.2500 4606375.5000 6855813.5000 5889748.5000 4383178.5000 3373628.0000 4388103.5000 3313954.0000 4125832.2500 10179465.0000 6840444.0000 9179347.0000 TG_NH4(52:3) 8991216.0000 14906387.0000 8635445.0000 13684045.0000 8345020.0000 10225523.0000 12636636.0000 10417565.0000 7876977.5000 9056823.0000 6784332.0000 12553189.0000 7403712.5000 16284167.0000 13054371.0000 16921584.0000 TG_NH4(52:4) 11014477.0000 11610548.0000 6895786.0000 10080713.0000 6103214.5000 6917362.0000 12115941.0000 8929895.0000 8208535.5000 8286420.0000 5325484.5000 10450447.0000 8077867.5000 15047196.0000 11967517.0000 15279584.0000 TG_NH4(52:5) 2535155.0000 2671825.5000 962239.8100 2534881.0000 1949446.6200 1280408.1200 3663716.2500 2779953.2500 1902077.0000 1582860.0000 1512601.6200 2747066.2500 2043306.0000 8158824.0000 4015116.2500 6481295.5000 TG_NH4(52:6) 574867.0600 774512.8100 363596.4100 479478.3400 500669.1600 283106.0900 817699.6900 765854.0000 392707.1200 509661.0000 362821.6200 623001.1900 498629.6600 2443776.2500 1088878.2500 2160863.7500 TG_NH4(52:7) 380692.2200 263984.1200 345361.9400 312264.6600 463929.0900 134745.5200 406351.8800 589584.8100 160204.5300 164371.1700 212454.8900 252862.9500 206140.5200 980413.5000 487872.0900 802254.1900 TG_NH4(52:8) 292604.2500 216347.2000 259162.8000 203638.5800 307871.6200 76418.7300 153086.4400 514843.7500 89505.6500 127570.9800 171727.6100 159863.8000 114710.6200 274687.6600 231062.4200 281781.0900 TG_NH4(52:9) 120644.0500 70153.7900 141666.1700 102900.1900 161592.9800 34097.6400 75702.8700 248321.2000 57583.7300 46372.6800 58200.7600 57107.4700 40460.5400 59010.5700 79659.3100 81374.0400 TG_NH4(54:1) 126004.7100 191778.1100 22696.9700 38714.0100 65161.9600 33658.2100 158537.4400 69879.2800 41743.4700 24970.5000 50036.6400 38033.7900 69095.2000 294729.2500 227821.0500 263489.8100 TG_NH4(54:2) 598213.6900 894800.6900 381173.7800 359703.8800 566816.8800 448612.7800 811290.0000 340061.0300 267090.0900 195970.9800 230947.0000 329843.3800 461706.9100 1326635.3800 573656.8100 982178.3100 TG_NH4(54:3) 2672661.7500 3569750.7500 2511589.2500 2716833.2500 2937017.0000 1642989.0000 3229339.0000 3235935.2500 1875939.6200 1822225.5000 1349666.7500 1373946.0000 2131350.0000 5793798.0000 3183475.2500 3982741.0000 TG_NH4(54:4) 6735069.5000 6678750.0000 3283386.0000 4500743.5000 4788502.5000 3604017.0000 6545356.0000 4614427.5000 3775222.0000 2944043.2500 2900839.2500 3389835.2500 4813361.5000 6649226.0000 7421810.5000 6238881.5000 TG_NH4(54:5) 5509841.5000 6835308.0000 3485919.2500 4287370.5000 4183813.2500 3628898.7500 5494686.5000 5139026.0000 4242851.0000 4185745.2500 3265492.2500 4832320.5000 5484745.0000 11764695.0000 7948451.5000 7536552.0000 TG_NH4(54:6) 4340006.0000 6732107.5000 3394319.2500 4184229.7500 3567460.7500 3154186.2500 6825797.5000 5127842.0000 3894896.7500 2808689.7500 3906564.0000 3811758.0000 3736218.0000 11281448.0000 6918346.0000 8419117.0000 TG_NH4(54:7) 3374538.7500 2749498.7500 2717154.7500 3726185.2500 2666729.2500 1836697.6200 3538678.2500 4456603.5000 2610622.0000 2157941.2500 2299932.0000 2760274.7500 1867562.0000 5332309.5000 3208396.2500 4277421.5000 TG_NH4(54:8) 769598.5000 1064044.1200 921911.0000 908187.1900 1014093.0000 463956.0000 1130541.1200 1464964.1200 632241.6900 559452.8100 587459.5600 736209.5000 486696.5000 1386862.1200 862791.6900 1548502.1200 TG_NH4(54:9) 424196.8800 328155.2500 428023.3400 375208.9100 565370.0600 110326.0900 317302.5000 644099.0000 171202.5600 174664.3000 249183.6700 229851.2700 173381.5000 262825.7200 309422.2200 365970.7800 TG_NH4(56:10) 658225.6900 574281.2500 679927.0000 907695.5600 895795.5000 310033.9100 797517.5000 1635314.6200 609378.1200 477058.7200 533109.0600 631268.3800 445581.5900 778476.9400 785064.8100 1188530.3800 TG_NH4(56:2) 102645.7300 178214.3600 10219.3000 53175.9700 55962.6600 29166.6000 82870.6200 52265.3800 13163.3300 11705.9400 38989.2100 23478.3200 60348.5600 182903.4800 106409.6600 109916.0300 TG_NH4(56:3) 204052.1700 386464.5900 123026.4400 127127.6300 126117.9800 82033.2100 175762.1200 113292.3100 80769.1800 78110.4100 35068.8800 68432.5200 111622.8200 309362.8100 166342.7000 251564.0200 TG_NH4(56:4) 413098.6600 747795.3100 252188.0800 420651.4700 434684.9100 239781.5600 402280.8800 371130.2500 242618.1200 260763.5000 161113.5600 226440.8900 335723.1600 741961.5000 348958.5300 452325.9100 TG_NH4(56:5) 957798.0600 1271913.1200 1047662.5000 1041384.6900 897089.8100 782341.8100 974440.2500 1078110.8800 744867.3100 649990.5000 702537.5000 496925.0900 543063.8100 1016432.9400 802131.6900 938878.8100 TG_NH4(56:6) 1833886.3800 2956051.7500 2405703.2500 1504735.3800 2925372.7500 2223461.7500 2757237.2500 2363747.7500 1857067.6200 1579969.3800 1607372.3800 1524784.3800 1438585.3800 1335671.2500 2048694.6200 1785271.6200 TG_NH4(56:7) 5377990.5000 7813133.5000 7397078.5000 9485288.0000 6538884.0000 6975656.5000 5954561.5000 7312826.5000 5789604.0000 4778734.0000 4560047.0000 5417022.5000 3208482.0000 4648334.5000 3629108.0000 3583298.7500 TG_NH4(56:8) 12194463.0000 14257371.0000 14218844.0000 17438852.0000 8652929.0000 10968790.0000 11398947.0000 13653683.0000 8505831.0000 7394985.5000 8386924.0000 11052019.0000 5084891.5000 6681846.5000 8223008.5000 8146173.5000 TG_NH4(56:9) 3493829.0000 4206383.0000 3592798.0000 4340192.0000 3123603.0000 2098961.7500 3890187.0000 6419829.5000 3873782.7500 2972440.7500 2524806.7500 3189730.2500 1852365.8800 2912349.7500 2885038.7500 3650204.2500 TG_NH4(58:10) 7418818.5000 6846507.5000 5893592.0000 8337778.5000 7488084.0000 5612182.0000 6156312.0000 8604072.0000 6048231.5000 4312496.5000 5455267.5000 4609360.0000 3413875.2500 3125955.2500 3874617.7500 3582476.0000 TG_NH4(58:11) 2778715.2500 3510895.0000 4934342.0000 4516439.5000 4692946.5000 2128381.7500 4552075.5000 8313608.5000 2908465.0000 2131546.2500 3126934.7500 3252676.7500 1811751.1200 2028569.6200 2614356.7500 3386717.0000 TG_NH4(58:5) 53968.4800 51507.2500 39409.2000 43041.8800 29478.2000 51420.5900 50247.8600 33030.5100 28393.1300 23498.9800 5888.9000 15951.2600 16998.1500 89420.2700 42834.6500 43252.1800 TG_NH4(58:6) 279835.9700 288449.0300 326106.8400 288908.4100 333957.5000 145389.1600 310493.5900 339878.2200 171212.1400 118743.9800 125108.2700 117380.9100 114139.0200 230371.0000 166553.9200 155753.0000 TG_NH4(58:7) 847047.5600 760042.6900 948249.4400 895372.5000 749475.5600 629043.0600 1248601.2500 755784.0000 888574.2500 534309.9400 660975.4400 559133.8100 543394.5000 446073.6600 609276.3800 399589.0900 TG_NH4(58:8) 2429374.0000 2600693.5000 2915145.2500 2446087.5000 2183624.5000 2944024.7500 2467205.7500 1799480.0000 2459528.0000 2003304.8800 1967290.6200 2199961.7500 1138901.3800 1285551.6200 1327884.1200 1403980.3800 TG_NH4(58:9) 4683512.0000 6800086.0000 5711504.0000 6261819.5000 4900704.5000 4644245.5000 5757441.5000 5161307.5000 5227357.5000 2977583.7500 4936707.5000 4057135.2500 3476851.2500 3287820.0000 3591704.7500 2813229.0000 TG_NH4(60:10) 440588.6600 640291.5000 634135.1900 586040.3100 919428.2500 632069.0600 540414.8100 718291.4400 628084.6900 444281.7500 466828.4700 445585.1600 369559.4700 327310.0000 339329.0900 333811.3400 TG_NH4(60:11) 2483457.0000 3055462.7500 3593591.7500 3031241.0000 3424455.2500 2669124.2500 2933372.0000 3628932.2500 1910748.3800 1349819.8800 2214675.2500 2073580.1200 1895530.0000 1267792.6200 2454768.7500 1900921.3800 TG_NH4(60:12) 6083221.5000 8039214.0000 8149740.0000 9269094.0000 7375707.5000 6449826.5000 5719886.0000 10520943.0000 6088442.5000 3798092.0000 5616344.5000 4476944.0000 4501326.0000 2246732.2500 5115428.5000 4287105.5000 TG_NH4(60:7) 45628.0800 83731.0000 39004.4300 41191.6900 84212.1500 49751.5400 89576.8800 54681.7700 30866.1900 35945.5700 11015.4700 24857.6800 17936.6400 53242.5200 46207.7000 22456.1200 TG_NH4(60:8) 186642.0800 148956.2500 200539.6700 155530.9400 192529.5800 146016.7500 274725.0000 177773.4200 166024.9800 93921.7800 124469.5300 121804.5700 98979.6900 91138.4700 124211.4400 54715.4400 TG_NH4(60:9) 254230.5800 268083.1200 315631.8800 259314.4500 438753.4700 300899.4100 314925.9100 264589.0300 255540.4800 201420.3900 159296.8000 216525.7000 222047.2700 122402.9100 200851.5600 173508.5300 TG_NH4(62:10) 57287.8000 34025.6100 63030.5300 21695.2200 107793.8100 58786.4800 66827.5600 24790.8100 27950.7500 16082.7600 22853.4000 23635.1100 29485.2400 10368.7800 26920.0900 28030.2100 TG_NH4(62:11) 157278.6100 150399.8400 193793.3800 150388.2200 244185.3600 155013.3000 167065.0900 218372.8000 155980.8000 104051.3800 114186.4700 108270.0200 92486.7800 89115.9400 79779.4900 80018.1200 TG_NH4(62:12) 214965.7700 361491.5900 720797.3100 186166.3000 533048.3100 272787.0000 276109.9400 476315.3800 334026.9700 271946.8100 343770.0300 322129.3400 242361.9500 164430.1100 326669.9100 291601.6600 TG_NH4(62:13) 2477043.5000 2303692.0000 3234540.2500 4264410.5000 3041786.0000 3695491.0000 2569553.0000 2409066.0000 2725812.0000 1378649.2500 1939175.6200 1677516.3800 2040863.5000 959372.0600 1486268.6200 1393419.3800 TG_NH4(62:14) 5103884.5000 6296761.5000 8430263.0000 7864447.5000 4304065.0000 7537580.0000 4629773.5000 6708471.5000 5370746.5000 4488920.0000 3930286.7500 3399438.7500 3661802.7500 2644957.2500 3156799.2500 3404321.0000 TG_NH4(62:15) 608182.4400 464496.3400 788426.8100 649658.0000 930471.5000 265688.2800 574503.1900 1203968.1200 488670.7800 432331.3400 489332.2500 426748.1200 375816.3400 241748.4500 478262.4100 451865.5300 TG_NH4(64:12) 31015.5200 16865.4000 24135.4200 28180.9300 41654.8300 28203.5000 34996.5400 31731.2400 26384.7200 14505.9300 11110.7000 11307.9800 13379.0000 4328.7100 4897.8200 11760.6500 TG_NH4(64:13) 106252.2700 61185.9500 125018.8200 95632.6900 104111.8800 99502.7600 94797.5900 74889.9100 90861.8400 54091.9800 32671.9800 65492.1600 111551.9600 40941.9900 51676.3300 53183.6600 TG_NH4(64:14) 115395.7300 141567.8600 169409.9500 207188.1100 210910.7300 188531.0800 171455.9800 165165.7300 137676.2700 79097.5200 99822.9500 107528.4300 128147.9600 91432.0600 104936.3100 134302.9200 TG_NH4(64:15) 119344.0200 58022.7100 123808.0600 56909.3300 223311.0500 41347.1200 168454.0200 213857.1900 127597.3400 87378.7100 171718.7300 72901.8200 126387.8100 25481.4700 112227.8500 120822.1000 MS_METABOLITE_DATA_END #METABOLITES METABOLITES_START metabolite_name pubchem_id inchi_key kegg_id other_id other_id_type ri ri_type moverz_quant Cearamide(d18:1/16:0) 538.518127 Cearamide(d18:1/18:0) 566.549438 Cearamide(d18:1/22:0) 622.611572 Cearamide(d18:1/24:0) 650.643127 Cearamide(d18:1/24:1) 648.62738 Cearamide(d18:1/24:2) 646.612 CE_NH4(16:0) 642.616882 CE_NH4(16:1) 640.601074 CE_NH4(16:2) 638.585632 CE_NH4(18:0) 670.648865 CE_NH4(18:1) 668.632935 CE_NH4(18_1-d7) 675.675659 CE_NH4(18:2) 666.616821 CE_NH4(18:3) 664.601196 CE_NH4(18:4) 662.58551 CE_NH4(20:1) 696.663635 CE_NH4(20:2) 694.648438 CE_NH4(20:3) 692.63324 CE_NH4(20:4) 690.616638 CE_NH4(20:5) 688.60083 CE_NH4(20:6) 686.585754 CE_NH4(22:4) 718.648254 CE_NH4(22:5) 716.633423 CE_NH4(22:6) 714.616272 DG_NH4(32:0) 586.539185 DG_NH4(32:1) 584.52356 DG_NH4(32:2) 582.507874 DG_NH4(33_1-d7) 605.583252 DG_NH4(34:0) 614.570374 DG_NH4(34:1) 612.554932 DG_NH4(34:2) 610.538696 DG_NH4(34:3) 608.523315 DG_NH4(34:4) 606.507935 DG_NH4(36:0) 642.601624 DG_NH4(36:1) 640.585999 DG_NH4(36:2) 638.570374 DG_NH4(36:3) 636.554749 DG_NH4(36:4) 634.539062 DG_NH4(36:5) 632.523438 DG_NH4(38:3) 664.586182 DG_NH4(38:4) 662.570496 DG_NH4(38:5) 660.555115 DG_NH4(38:6) 658.539551 DG_NH4(40:5) 688.58606 DG_NH4(40:6) 686.570435 DG_NH4(40:7) 684.554565 DG_NH4(40:8) 682.538818 DG_NH4(42:6) 714.60144 DG_NH4(42:7) 712.585632 DG_NH4(44:8) 738.602661 DG_NH4(44:9) 736.586121 LPC(14:0) 468.307709 LPC(16:0) 496.338837 LPC(16:1) 494.323059 LPC(18:0) 524.370117 LPC(18:1) 522.354492 LPC(18_1-d7) 529.398193 LPC(18:2) 520.338684 LPC(18:3) 518.322632 LPC(20:0) 552.401306 LPC(20:1) 550.385559 LPC(20:2) 548.370605 LPC(20:3) 546.354126 LPC(20:4) 544.338135 LPC(20:5) 542.32251 LPC(22:0) 580.433655 LPC(22:1) 578.41687 LPC(22:4) 572.369751 LPC(22:5) 570.353821 LPC(24:0) 608.463684 LPC(24:1) 606.447693 LPC(24:2) 604.432251 LPE(16:0) 454.292053 LPE(18:0) 482.323151 LPE(18:1) 480.307617 LPE(18_1-d7) 487.351471 LPE(18:2) 478.291931 LPE(18:3) 476.27597 LPE(20:0) 510.354431 LPE(20:1) 508.338806 LPE(20:3) 504.306854 LPE(20:4) 502.291443 LPE(20:5) 500.276978 LPE(22:0) 538.38562 LPE(22:1) 536.370239 LPE(22:4) 530.32312 LPE(22:6) 526.291504 MG_Na(14:0) 325.23407 MG_Na(16:0) 353.265411 MG_Na(18:0) 381.296692 MG_Na(18:1) 379.281128 MG_Na(18_1-d7) 386.325226 MG_Na(18:2) 377.26535 MG_Na(20:4) 401.2659 MG_Na(22:6) 425.26535 MG_NH4(16:0) 348.310181 MG_NH4(18:0) 376.341339 MG_NH4(18:1) 374.325623 MG_NH4(18:2) 372.309998 PC(30:0) 706.536377 PC(30:1) 704.520752 PC(32:0) 734.567444 PC(32:1) 732.552673 PC(32:2) 730.536316 PC(33_1-d7) 753.611084 PC(34:0) 762.599426 PC(34:1) 760.583252 PC(34:2) 758.567627 PC(34:3) 756.553711 PC(34:4) 754.535767 PC(36:0) 790.630737 PC(36:1) 788.61438 PC(36:2) 786.598389 PC(36:3) 784.583069 PC(36:4) 782.567078 PC(36:5) 780.551453 PC(38:1) 816.646362 PC(38:2) 814.631226 PC(38:3) 812.61438 PC(38:4) 810.598267 PC(38:5) 808.582336 PC(38:6) 806.5672 PC(40:1) 844.676941 PC(40:2) 842.661194 PC(40:3) 840.645569 PC(40:4) 838.630188 PC(40:5) 836.614075 PC(40:6) 834.598145 PC(40:7) 832.582031 PC(40:8) 830.569519 PC(42:1) 872.708374 PC(42:10) 854.568787 PC(42:11) 852.556335 PC(42:2) 870.692505 PC(42:3) 868.677063 PC(42:4) 866.66095 PC(42:5) 864.644836 PC(42:6) 862.629822 PC(42:7) 860.613342 PC(42:8) 858.599304 PC(42:9) 856.583679 PC(44:10) 882.603027 PC(44:11) 880.588745 PC(44:12) 878.570923 PC(44:4) 894.692322 PC(44:5) 892.676758 PC(44:6) 890.660461 PE(33_1-d7) 711.564636 PE(34:0) 720.552856 PE(34:1) 718.537048 PE(34:2) 716.520508 PE(34:3) 714.505005 PE(36:1) 746.568665 PE(36:2) 744.552185 PE(36:3) 742.537231 PE(36:4) 740.520752 PE(38:4) 768.551575 PE(38:5) 766.536316 PE(38:6) 764.519653 PE(40:6) 792.551025 PE(40:7) 790.535889 PS(33_1-d7) 755.554199 SM(d18:1/16:0) 703.573059 SM(d18:1/18:0) 731.604553 SM(d18:1/18:1) 729.588928 SM(d18_1-18_1-d9) 738.644897 SM(d18:1/20:0) 759.635986 SM(d18:1/22:0) 787.666931 SM(d18:1/22:1) 785.651245 SM(d18:1/22:2) 783.635681 SM(d18:1/24:1) 813.682312 SM(d18:1/24:2) 811.666687 SM(d18:1/24:3) 809.650269 SM(d18:1/24:4) 807.634216 SM(d18:1/24:5) 805.620178 SM(d18:1/24:6) 803.603516 TG_NH4(42:1) 738.659119 TG_NH4(42:2) 736.643005 TG_NH4(44:1) 766.690186 TG_NH4(44:2) 764.6745 TG_NH4(44:3) 762.659119 TG_NH4(46:1) 794.721313 TG_NH4(46:2) 792.705688 TG_NH4(46:3) 790.689819 TG_NH4(48:1) 822.752563 TG_NH4(48-1-d7) 829.796387 TG_NH4(48:2) 820.736877 TG_NH4(48:3) 818.721436 TG_NH4(48:4) 816.70575 TG_NH4(48:5) 814.68927 TG_NH4(48:6) 812.673706 TG_NH4(48:7) 810.658813 TG_NH4(50:0) 852.799377 TG_NH4(50:1) 850.783752 TG_NH4(50:2) 848.767883 TG_NH4(50:3) 846.752502 TG_NH4(50:4) 844.737 TG_NH4(50:5) 842.721497 TG_NH4(50:6) 840.705994 TG_NH4(50:7) 838.689819 TG_NH4(50:8) 836.674194 TG_NH4(52:1) 878.81488 TG_NH4(52:2) 876.79895 TG_NH4(52:3) 874.783325 TG_NH4(52:4) 872.767944 TG_NH4(52:5) 870.752625 TG_NH4(52:6) 868.736938 TG_NH4(52:7) 866.721436 TG_NH4(52:8) 864.705811 TG_NH4(52:9) 862.689819 TG_NH4(54:1) 906.846069 TG_NH4(54:2) 904.830627 TG_NH4(54:3) 902.814697 TG_NH4(54:4) 900.79895 TG_NH4(54:5) 898.783752 TG_NH4(54:6) 896.767944 TG_NH4(54:7) 894.752625 TG_NH4(54:8) 892.736816 TG_NH4(54:9) 890.721313 TG_NH4(56:10) 916.736816 TG_NH4(56:2) 932.862732 TG_NH4(56:3) 930.845947 TG_NH4(56:4) 928.830383 TG_NH4(56:5) 926.814697 TG_NH4(56:6) 924.799011 TG_NH4(56:7) 922.783203 TG_NH4(56:8) 920.767639 TG_NH4(56:9) 918.752258 TG_NH4(58:10) 944.767578 TG_NH4(58:11) 942.752014 TG_NH4(58:5) 954.845459 TG_NH4(58:6) 952.830078 TG_NH4(58:7) 950.814575 TG_NH4(58:8) 948.798828 TG_NH4(58:9) 946.783325 TG_NH4(60:10) 972.799072 TG_NH4(60:11) 970.783203 TG_NH4(60:12) 968.767761 TG_NH4(60:7) 978.845398 TG_NH4(60:8) 976.830078 TG_NH4(60:9) 974.814575 TG_NH4(62:10) 1000.829956 TG_NH4(62:11) 998.814392 TG_NH4(62:12) 996.798706 TG_NH4(62:13) 994.783508 TG_NH4(62:14) 992.767578 TG_NH4(62:15) 990.752258 TG_NH4(64:12) 1024.829468 TG_NH4(64:13) 1022.814575 TG_NH4(64:14) 1020.799072 TG_NH4(64:15) 1018.783752 METABOLITES_END #END