#METABOLOMICS WORKBENCH mlafrano_20150924_9047701_mwtab.txt DATATRACK_ID:384 STUDY_ID:ST000257 ANALYSIS_ID:AN000407 PROJECT_ID:PR000209 VERSION 1 CREATED_ON 2016-09-17 #PROJECT PR:PROJECT_TITLE Metabolite changes associated with weight loss PR:PROJECT_TYPE Feeding study PR:PROJECT_SUMMARY This study aims to identify changes in metabolites that occur in metabolic PR:PROJECT_SUMMARY including liver, adipose (epididymal), hypothalamus, and muscle, as well as PR:PROJECT_SUMMARY in the obese state that are long-lasting and not reversed by weight loss. Mice PR:PROJECT_SUMMARY divided into three groups termed LFD (low fat diet), HFD (high fat diet), and PR:PROJECT_SUMMARY (switch diet from HFD to LFD)(n = 6 per group). All mice were fed normal chow PR:PROJECT_SUMMARY 12 weeks of age. The LFD group were fed a low fat diet (10% fat) ad libitum for PR:PROJECT_SUMMARY weeks. The HFD diet group were fed high fat diet (60% fat) ad libitum for 18 PR:PROJECT_SUMMARY The SW group were fed high fat diet for 9 weeks, then low fat diet for 9 weeks PR:PROJECT_SUMMARY which their body weights returned to similar levels as the LFD group. Each PR:PROJECT_SUMMARY was analyzed for metabolite and gene expression changes. PR:INSTITUTE University of California, San Diego PR:DEPARTMENT Department of Medicine PR:LABORATORY Osborn PR:LAST_NAME Osborn PR:FIRST_NAME Olivia PR:ADDRESS 9500 Gilman Dr., La Jolla, CA 92093 PR:EMAIL oosborn@ucsd.edu PR:PHONE +1-858-822-6645 PR:FUNDING_SOURCE National Institute of Health U24 DK092993 #STUDY ST:STUDY_TITLE NIH WCMC Pilot & Feasibility Project: Metabolite changes associated with ST:STUDY_TITLE loss ST:STUDY_TYPE Feeding study ST:STUDY_SUMMARY Targeted metabolomic analyses of oxylipins, endocannabinoids, and ceramides ST:STUDY_SUMMARY performed on 18 mouse liver, adipose, hypothalamus, plasma, and muscle samples ST:STUDY_SUMMARY from mice euthanized at 18 weeks following consumption of three diet regimens ST:STUDY_SUMMARY induced lean, obese, and weight loss phenotypes. Samples were analyzed by ST:STUDY_SUMMARY using a Waters Acquity UPLC and detected on an API 4000 QTrap (AB Sciex, ST:STUDY_SUMMARY MA, USA) by multiple reaction monitoring (MRM) after negative mode electrospray ST:INSTITUTE University of California, Davis ST:DEPARTMENT Nutrition ST:LABORATORY Newman Lab ST:LAST_NAME Newman ST:FIRST_NAME John ST:ADDRESS 430 W. Health Sciences Dr., Davis, CA 95616 ST:EMAIL john.newman@ars.usda.gov ST:PHONE +1-530-752-1009 ST:NUM_GROUPS 3 ST:TOTAL_SUBJECTS 18 #SUBJECT SU:SUBJECT_TYPE Animal SU:SUBJECT_SPECIES Mus musculus SU:TAXONOMY_ID 10090 SU:AGE_OR_AGE_RANGE 30 weeks SU:GENDER Female SU:ANIMAL_HOUSING Singly housed SU:ANIMAL_FEED High fat diet (D12492, Research Diets, New Brunswick, NJ), Low fat diet SU:ANIMAL_FEED Research Diets, New Brunswick, NJ) #SUBJECT_SAMPLE_FACTORS: SUBJECT(optional)[tab]SAMPLE[tab]FACTORS(NAME:VALUE pairs separated by |)[tab]Additional sample data SUBJECT_SAMPLE_FACTORS - HF epi 1 Treatment:HFD | Tissue Type:Adipose SUBJECT_SAMPLE_FACTORS - HF epi 2 Treatment:HFD | Tissue Type:Adipose SUBJECT_SAMPLE_FACTORS - HF epi 3 Treatment:HFD | Tissue Type:Adipose SUBJECT_SAMPLE_FACTORS - HF epi 4 Treatment:HFD | Tissue Type:Adipose SUBJECT_SAMPLE_FACTORS - HF epi 7 Treatment:HFD | Tissue Type:Adipose SUBJECT_SAMPLE_FACTORS - HF epi 8 Treatment:HFD | Tissue Type:Adipose SUBJECT_SAMPLE_FACTORS - HF Hypo 1 Treatment:HFD | Tissue Type:Hypothalmus SUBJECT_SAMPLE_FACTORS - HF Hypo 2 Treatment:HFD | Tissue Type:Hypothalmus SUBJECT_SAMPLE_FACTORS - HF Hypo 3 Treatment:HFD | Tissue Type:Hypothalmus SUBJECT_SAMPLE_FACTORS - HF Hypo 4 Treatment:HFD | Tissue Type:Hypothalmus SUBJECT_SAMPLE_FACTORS - HF Hypo 7 Treatment:HFD | Tissue Type:Hypothalmus SUBJECT_SAMPLE_FACTORS - HF Hypo 8 Treatment:HFD | Tissue Type:Hypothalmus SUBJECT_SAMPLE_FACTORS - HF liv 1 Treatment:HFD | Tissue Type:Liver SUBJECT_SAMPLE_FACTORS - HF liv 2 Treatment:HFD | Tissue Type:Liver SUBJECT_SAMPLE_FACTORS - HF liv 3 Treatment:HFD | Tissue Type:Liver SUBJECT_SAMPLE_FACTORS - HF liv 4 Treatment:HFD | Tissue Type:Liver SUBJECT_SAMPLE_FACTORS - HF liv 7 Treatment:HFD | Tissue Type:Liver SUBJECT_SAMPLE_FACTORS - HF liv 8 Treatment:HFD | Tissue Type:Liver SUBJECT_SAMPLE_FACTORS - HF mus 1 Treatment:HFD | Tissue Type:Muscle SUBJECT_SAMPLE_FACTORS - HF mus 2 Treatment:HFD | Tissue Type:Muscle SUBJECT_SAMPLE_FACTORS - HF mus 3 Treatment:HFD | Tissue Type:Muscle SUBJECT_SAMPLE_FACTORS - HF mus 4 Treatment:HFD | Tissue Type:Muscle SUBJECT_SAMPLE_FACTORS - HF mus 7 Treatment:HFD | Tissue Type:Muscle SUBJECT_SAMPLE_FACTORS - HF mus 8 Treatment:HFD | Tissue Type:Muscle SUBJECT_SAMPLE_FACTORS - HF plasma 1 Treatment:HFD | Tissue Type:Plasma SUBJECT_SAMPLE_FACTORS - HF plasma 2 Treatment:HFD | Tissue Type:Plasma SUBJECT_SAMPLE_FACTORS - HF plasma 3 Treatment:HFD | Tissue Type:Plasma SUBJECT_SAMPLE_FACTORS - HF plasma 4 Treatment:HFD | Tissue Type:Plasma SUBJECT_SAMPLE_FACTORS - HF plasma 7 Treatment:HFD | Tissue Type:Plasma SUBJECT_SAMPLE_FACTORS - HF plasma 8 Treatment:HFD | Tissue Type:Plasma SUBJECT_SAMPLE_FACTORS - LF epi 1 Treatment:LFD | Tissue Type:Adipose SUBJECT_SAMPLE_FACTORS - LF epi 2 Treatment:LFD | Tissue Type:Adipose SUBJECT_SAMPLE_FACTORS - LF epi 3 Treatment:LFD | Tissue Type:Adipose SUBJECT_SAMPLE_FACTORS - LF epi 6 Treatment:LFD | Tissue Type:Adipose SUBJECT_SAMPLE_FACTORS - LF epi 7 Treatment:LFD | Tissue Type:Adipose SUBJECT_SAMPLE_FACTORS - LF epi 8 Treatment:LFD | Tissue Type:Adipose SUBJECT_SAMPLE_FACTORS - LF Hypo 1 Treatment:LFD | Tissue Type:Hypothalmus SUBJECT_SAMPLE_FACTORS - LF Hypo 2 Treatment:LFD | Tissue Type:Hypothalmus SUBJECT_SAMPLE_FACTORS - LF Hypo 3 Treatment:LFD | Tissue Type:Hypothalmus SUBJECT_SAMPLE_FACTORS - LF Hypo 6 Treatment:LFD | Tissue Type:Hypothalmus SUBJECT_SAMPLE_FACTORS - LF Hypo 7 Treatment:LFD | Tissue Type:Hypothalmus SUBJECT_SAMPLE_FACTORS - LF Hypo 8 Treatment:LFD | Tissue Type:Hypothalmus SUBJECT_SAMPLE_FACTORS - LF liv 1 Treatment:LFD | Tissue Type:Liver SUBJECT_SAMPLE_FACTORS - LF liv 2 Treatment:LFD | Tissue Type:Liver SUBJECT_SAMPLE_FACTORS - LF liv 3 Treatment:LFD | Tissue Type:Liver SUBJECT_SAMPLE_FACTORS - LF liv 6 Treatment:LFD | Tissue Type:Liver SUBJECT_SAMPLE_FACTORS - LF liv 7 Treatment:LFD | Tissue Type:Liver SUBJECT_SAMPLE_FACTORS - LF liv 8 Treatment:LFD | Tissue Type:Liver SUBJECT_SAMPLE_FACTORS - LF mus 1 Treatment:LFD | Tissue Type:Muscle SUBJECT_SAMPLE_FACTORS - LF mus 2 Treatment:LFD | Tissue Type:Muscle SUBJECT_SAMPLE_FACTORS - LF mus 3 Treatment:LFD | Tissue Type:Muscle SUBJECT_SAMPLE_FACTORS - LF mus 6 Treatment:LFD | Tissue Type:Muscle SUBJECT_SAMPLE_FACTORS - LF mus 7 Treatment:LFD | Tissue Type:Muscle SUBJECT_SAMPLE_FACTORS - LF mus 8 Treatment:LFD | Tissue Type:Muscle SUBJECT_SAMPLE_FACTORS - LF plasma 1 Treatment:LFD | Tissue Type:Plasma SUBJECT_SAMPLE_FACTORS - LF plasma 2 Treatment:LFD | Tissue Type:Plasma SUBJECT_SAMPLE_FACTORS - LF plasma 3 Treatment:LFD | Tissue Type:Plasma SUBJECT_SAMPLE_FACTORS - LF plasma 6 Treatment:LFD | Tissue Type:Plasma SUBJECT_SAMPLE_FACTORS - LF plasma 7 Treatment:LFD | Tissue Type:Plasma SUBJECT_SAMPLE_FACTORS - LF plasma 8 Treatment:LFD | Tissue Type:Plasma SUBJECT_SAMPLE_FACTORS - SW epi 2 Treatment:SW | Tissue Type:Adipose SUBJECT_SAMPLE_FACTORS - SW epi 3 Treatment:SW | Tissue Type:Adipose SUBJECT_SAMPLE_FACTORS - SW epi 4 Treatment:SW | Tissue Type:Adipose SUBJECT_SAMPLE_FACTORS - SW epi 5 Treatment:SW | Tissue Type:Adipose SUBJECT_SAMPLE_FACTORS - SW epi 7 Treatment:SW | Tissue Type:Adipose SUBJECT_SAMPLE_FACTORS - SW epi 8 Treatment:SW | Tissue Type:Adipose SUBJECT_SAMPLE_FACTORS - SW Hypo 2 Treatment:SW | Tissue Type:Hypothalmus SUBJECT_SAMPLE_FACTORS - SW Hypo 3 Treatment:SW | Tissue Type:Hypothalmus SUBJECT_SAMPLE_FACTORS - SW Hypo 4 Treatment:SW | Tissue Type:Hypothalmus SUBJECT_SAMPLE_FACTORS - SW Hypo 5 Treatment:SW | Tissue Type:Hypothalmus SUBJECT_SAMPLE_FACTORS - SW Hypo 7 Treatment:SW | Tissue Type:Hypothalmus SUBJECT_SAMPLE_FACTORS - SW Hypo 8 Treatment:SW | Tissue Type:Hypothalmus SUBJECT_SAMPLE_FACTORS - SW liv 2 Treatment:SW | Tissue Type:Liver SUBJECT_SAMPLE_FACTORS - SW liv 3 Treatment:SW | Tissue Type:Liver SUBJECT_SAMPLE_FACTORS - SW liv 4 Treatment:SW | Tissue Type:Liver SUBJECT_SAMPLE_FACTORS - SW liv 5 Treatment:SW | Tissue Type:Liver SUBJECT_SAMPLE_FACTORS - SW liv 7 Treatment:SW | Tissue Type:Liver SUBJECT_SAMPLE_FACTORS - SW liv 8 Treatment:SW | Tissue Type:Liver SUBJECT_SAMPLE_FACTORS - SW mus 2 Treatment:SW | Tissue Type:Muscle SUBJECT_SAMPLE_FACTORS - SW mus 3 Treatment:SW | Tissue Type:Muscle SUBJECT_SAMPLE_FACTORS - SW mus 4 Treatment:SW | Tissue Type:Muscle SUBJECT_SAMPLE_FACTORS - SW mus 5 Treatment:SW | Tissue Type:Muscle SUBJECT_SAMPLE_FACTORS - SW mus 7 Treatment:SW | Tissue Type:Muscle SUBJECT_SAMPLE_FACTORS - SW mus 8 Treatment:SW | Tissue Type:Muscle SUBJECT_SAMPLE_FACTORS - SW plasma 2 Treatment:SW | Tissue Type:Plasma SUBJECT_SAMPLE_FACTORS - SW plasma 3 Treatment:SW | Tissue Type:Plasma SUBJECT_SAMPLE_FACTORS - SW plasma 4 Treatment:SW | Tissue Type:Plasma SUBJECT_SAMPLE_FACTORS - SW plasma 5 Treatment:SW | Tissue Type:Plasma SUBJECT_SAMPLE_FACTORS - SW plasma 7 Treatment:SW | Tissue Type:Plasma SUBJECT_SAMPLE_FACTORS - SW plasma 8 Treatment:SW | Tissue Type:Plasma #COLLECTION CO:COLLECTION_SUMMARY - CO:COLLECTION_PROTOCOL_FILENAME NewmanLab-Mediators-Protocol-PT.pdf CO:SAMPLE_TYPE Liver, adipose, hypothalamus, muscle, and plasma CO:COLLECTION_METHOD Dissection CO:STORAGE_CONDITIONS - 80°C CO:STORAGE_VIALS Eppendorf tubes #TREATMENT TR:TREATMENT_SUMMARY Mice were fed 18 weeks on either a low fat diet (LF), high fat diet (HF), or TR:TREATMENT_SUMMARY of both (SW). TR:TREATMENT_PROTOCOL_FILENAME NewmanLab-Mediators-Protocol-PT.pdf TR:TREATMENT Intervention TR:TREATMENT_DOSEDURATION 18 weeks TR:TREATMENT_VEHICLE animal feed TR:ANIMAL_ENDP_EUTHANASIA 30 weeks TR:ANIMAL_ENDP_TISSUE_COLL_LIST Liver, adipose, hypothalami, muscle, and plasma #SAMPLEPREP SP:SAMPLEPREP_SUMMARY Tissues were pulverized on dry ice, enriched with deuterated surrogates, SP:SAMPLEPREP_SUMMARY (BHT and EDTA), and extracted with MeOH:Water:IPA, transferred to an Ostro SP:SAMPLEPREP_SUMMARY and the extract was eluted by vacuum. Plasma was added directly to the plate, SP:SAMPLEPREP_SUMMARY with the surrogates, antioxidants, and IPA and the extract eluted through. The SP:SAMPLEPREP_SUMMARY were dried, reconstituted in 100?L 50:50 methanol:acetonitrile with internal SP:SAMPLEPREP_SUMMARY 1?phenyl?3?hexanoic acid urea and 1?cyclohexyl?3-dodecanoic acid urea SP:SAMPLEPREP_SUMMARY St. Louis, MO) and filtered at 0.1 µm. SP:SAMPLEPREP_PROTOCOL_FILENAME NewmanLab-Mediators-Protocol-PT.pdf SP:EXTRACTION_METHOD Ostro plate SP:EXTRACT_CLEANUP Ostro plate SP:EXTRACT_STORAGE - 20 °C SP:SAMPLE_RESUSPENSION 100 µL SP:SAMPLE_SPIKING See sample prep protocol file SP:ORGAN Liver, adipose, hypothalamus, muscle, and plasma #CHROMATOGRAPHY CH:CHROMATOGRAPHY_SUMMARY Endocannabinoid analysis CH:CHROMATOGRAPHY_TYPE - CH:INSTRUMENT_NAME Waters Acquity CH:COLUMN_NAME - CH:METHODS_FILENAME NewmanLab-Mediators-Protocol-PT.pdf CH:COLUMN_TEMPERATURE 60 C CH:FLOW_GRADIENT See protocol/methods file CH:FLOW_RATE 0.25 CH:INTERNAL_STANDARD See protocol/methods file CH:RETENTION_TIME See protocol/methods file CH:SAMPLE_INJECTION 5 L CH:SOLVENT_A 0.1% acetic acid CH:SOLVENT_B 90% ACN / 10% IPA CH:ANALYTICAL_TIME 11 min CH:WEAK_WASH_SOLVENT_NAME 20% methanol, 10% isopropanol CH:WEAK_WASH_VOLUME 600 L CH:STRONG_WASH_SOLVENT_NAME 50:50 Acetonitrile:Methanol CH:STRONG_WASH_VOLUME 600 L CH:SAMPLE_LOOP_SIZE 17 L #ANALYSIS AN:ANALYSIS_TYPE MS AN:LABORATORY_NAME Newman AN:SOFTWARE_VERSION AB Sciex MultiQuant version 3.0.1 AN:OPERATOR_NAME Michael La Frano AN:DETECTOR_TYPE API 4000 QTrap (AB Sciex, Framingham, MA, USA) AN:DATA_FORMAT .mzML #MS MS:INSTRUMENT_NAME ABI Sciex API 4000 QTrap MS:INSTRUMENT_TYPE Triple quadrupole MS:MS_TYPE ESI MS:ION_MODE POSITIVE MS:CAPILLARY_TEMPERATURE See protocol file MS:CAPILLARY_VOLTAGE Positive MS:MS_COMMENTS Endocannabinoid analysis #MS_METABOLITE_DATA MS_METABOLITE_DATA:UNITS nM MS_METABOLITE_DATA_START Samples HF epi 1 HF epi 2 HF epi 3 HF epi 4 HF epi 7 HF epi 8 HF Hypo 1 HF Hypo 2 HF Hypo 3 HF Hypo 4 HF Hypo 7 HF Hypo 8 HF liv 1 HF liv 2 HF liv 3 HF liv 4 HF liv 7 HF liv 8 HF mus 1 HF mus 2 HF mus 3 HF mus 4 HF mus 7 HF mus 8 HF plasma 1 HF plasma 2 HF plasma 3 HF plasma 4 HF plasma 7 HF plasma 8 LF epi 1 LF epi 2 LF epi 3 LF epi 6 LF epi 7 LF epi 8 LF Hypo 1 LF Hypo 2 LF Hypo 3 LF Hypo 6 LF Hypo 7 LF Hypo 8 LF liv 1 LF liv 2 LF liv 3 LF liv 6 LF liv 7 LF liv 8 LF mus 1 LF mus 2 LF mus 3 LF mus 6 LF mus 7 LF mus 8 LF plasma 1 LF plasma 2 LF plasma 3 LF plasma 6 LF plasma 7 LF plasma 8 SW epi 2 SW epi 3 SW epi 4 SW epi 5 SW epi 7 SW epi 8 SW Hypo 2 SW Hypo 3 SW Hypo 4 SW Hypo 5 SW Hypo 7 SW Hypo 8 SW liv 2 SW liv 3 SW liv 4 SW liv 5 SW liv 7 SW liv 8 SW mus 2 SW mus 3 SW mus 4 SW mus 5 SW mus 7 SW mus 8 SW plasma 2 SW plasma 3 SW plasma 4 SW plasma 5 SW plasma 7 SW plasma 8 Factors Treatment:HFD | Tissue Type:Adipose Treatment:HFD | Tissue Type:Adipose Treatment:HFD | Tissue Type:Adipose Treatment:HFD | Tissue Type:Adipose Treatment:HFD | Tissue Type:Adipose Treatment:HFD | Tissue Type:Adipose Treatment:HFD | Tissue Type:Hypothalmus Treatment:HFD | Tissue Type:Hypothalmus Treatment:HFD | Tissue Type:Hypothalmus Treatment:HFD | Tissue Type:Hypothalmus Treatment:HFD | Tissue Type:Hypothalmus Treatment:HFD | Tissue Type:Hypothalmus Treatment:HFD | Tissue Type:Liver Treatment:HFD | Tissue Type:Liver Treatment:HFD | Tissue Type:Liver Treatment:HFD | Tissue Type:Liver Treatment:HFD | Tissue Type:Liver Treatment:HFD | Tissue Type:Liver Treatment:HFD | Tissue Type:Muscle Treatment:HFD | Tissue Type:Muscle Treatment:HFD | Tissue Type:Muscle Treatment:HFD | Tissue Type:Muscle Treatment:HFD | Tissue Type:Muscle Treatment:HFD | Tissue Type:Muscle Treatment:HFD | Tissue Type:Plasma Treatment:HFD | Tissue Type:Plasma Treatment:HFD | Tissue Type:Plasma Treatment:HFD | Tissue Type:Plasma Treatment:HFD | Tissue Type:Plasma Treatment:HFD | Tissue Type:Plasma Treatment:LFD | Tissue Type:Adipose Treatment:LFD | Tissue Type:Adipose Treatment:LFD | Tissue Type:Adipose Treatment:LFD | Tissue Type:Adipose Treatment:LFD | Tissue Type:Adipose Treatment:LFD | Tissue Type:Adipose Treatment:LFD | Tissue Type:Hypothalmus Treatment:LFD | Tissue Type:Hypothalmus Treatment:LFD | Tissue Type:Hypothalmus Treatment:LFD | Tissue Type:Hypothalmus Treatment:LFD | Tissue Type:Hypothalmus Treatment:LFD | Tissue Type:Hypothalmus Treatment:LFD | Tissue Type:Liver Treatment:LFD | Tissue Type:Liver Treatment:LFD | Tissue Type:Liver Treatment:LFD | Tissue Type:Liver Treatment:LFD | Tissue Type:Liver Treatment:LFD | Tissue Type:Liver Treatment:LFD | Tissue Type:Muscle Treatment:LFD | Tissue Type:Muscle Treatment:LFD | Tissue Type:Muscle Treatment:LFD | Tissue Type:Muscle Treatment:LFD | Tissue Type:Muscle Treatment:LFD | Tissue Type:Muscle Treatment:LFD | Tissue Type:Plasma Treatment:LFD | Tissue Type:Plasma Treatment:LFD | Tissue Type:Plasma Treatment:LFD | Tissue Type:Plasma Treatment:LFD | Tissue Type:Plasma Treatment:LFD | Tissue Type:Plasma Treatment:SW | Tissue Type:Adipose Treatment:SW | Tissue Type:Adipose Treatment:SW | Tissue Type:Adipose Treatment:SW | Tissue Type:Adipose Treatment:SW | Tissue Type:Adipose Treatment:SW | Tissue Type:Adipose Treatment:SW | Tissue Type:Hypothalmus Treatment:SW | Tissue Type:Hypothalmus Treatment:SW | Tissue Type:Hypothalmus Treatment:SW | Tissue Type:Hypothalmus Treatment:SW | Tissue Type:Hypothalmus Treatment:SW | Tissue Type:Hypothalmus Treatment:SW | Tissue Type:Liver Treatment:SW | Tissue Type:Liver Treatment:SW | Tissue Type:Liver Treatment:SW | Tissue Type:Liver Treatment:SW | Tissue Type:Liver Treatment:SW | Tissue Type:Liver Treatment:SW | Tissue Type:Muscle Treatment:SW | Tissue Type:Muscle Treatment:SW | Tissue Type:Muscle Treatment:SW | Tissue Type:Muscle Treatment:SW | Tissue Type:Muscle Treatment:SW | Tissue Type:Muscle Treatment:SW | Tissue Type:Plasma Treatment:SW | Tissue Type:Plasma Treatment:SW | Tissue Type:Plasma Treatment:SW | Tissue Type:Plasma Treatment:SW | Tissue Type:Plasma Treatment:SW | Tissue Type:Plasma 11(12)-EpETre EA 15-HETE EA 1-AG 66.1000 157 25.2000 59.2000 98.6000 46.5000 6650 2700 15000 3630 3940 5670 5370 1530 954 1590 2690 906 173 215 220 231 219.5000 217 115 90.9000 67.5000 198 127 92.3000 27.1000 23.1000 51.9000 20.5000 47.6500 51.3000 6040 11700 3700 4770 4040 5070 478 2300 2750 4030 5960 5310 303 234 244.5000 327 287 202 95.9000 61 69.7000 73.5000 81.5000 132 578 37.4000 162 54.2000 130 181 7580 4430 4230 3650 5090 7010 2800 4140 2770 3860 1610 2230 285 257 253 190 475 250.5000 128 101 86.4000 132 115 96.5000 1-LG 2150 1920 442 614 787 907 2610 1210 2740 1420 1050 2190 19000 4940 3000 8350 10500 3740 483 287 331 701 400 392.5000 3070 2960 1580 5540 5110 3790 190 175 375 203 456 539.5000 1290 2830 585 1090 654 1150 777 16500 4920 8380 29500 15500 558 354 459 751 421 289 1870 1270 1470 895 1880 3530 8450 826 1750 1200 973 2060 3330 881 1000 1540 1050 1510 9400 9590 6360 9630 4620 4950 936 773 1100 299 359 468 3820 1440 1080 3070 2340 1270 1-OG 7720 8390 1730 2830 4100 3010 50400 42400 59300 34400 33600 41700 28300 12300 15300 12800 23100 18900 1220 1290 919 1840 1201 1750 8820 4230 1750 7110 7460 4350 946 1110 1960 1140 2170 2080 42500 97400 29000 53000 39500 61700 15600 78000 41600 52900 123000 85500 1510 945 1614 2610 1330 940 8630 5510 5040 4550 6180 8040 47800 3850 6080 3980 3190 9700 37600 49000 40700 42800 41200 67300 65300 61800 37600 55800 46500 30700 2420 1920 3950 946 1370 1590 11400 8200 4240 7520 8520 5850 2-AG 116 544 43.7000 143.5000 276 215 31800 9200 79500 14400 13700 19500 25300 7600 3410 10700 12500 1840 649 759 812 661 978.5000 759.5000 225 135 194 332 155 221 58.7000 41 118 33.7000 118.5500 97.0500 25700 59100 15000 15700 15100 24300 1470 21000 12300 17300 34100 27900 855 942 676.5000 892 1060 880 118 116 113 78 159 322 1150 131 899 228 470 822 28000 17800 19000 14800 16400 34600 13900 23500 15700 16700 4990 11100 902 800 928 756 1490 894 206 95.6000 132 285 246 147 2-LG 5190 10100 1750 2350 2560 3700 14000 3880 13600 7550 4910 8950 200000 71300 36300 118000 102000 30900 1890 2100 1030 2730 1166 1445 12900 6790 5640 12400 9190 12300 891 725 1620 786 2030 1557.5000 5650 10600 2800 5010 1930 3920 10700 168000 49200 83200 268000 158000 1960 1190 1465 2700 1920 1300 2900 2330 2800 1760 3920 7740 20900 3650 8370 5730 5680 13500 13200 4410 5070 6800 2500 6540 94400 114000 79300 81800 42200 52400 3930 4150 4980 1370 2390 2510 8510 2570 2020 6920 5300 2500 2-OG 9780 19200 2420 5555 3530 5990 265000 167000 361000 155000 171000 229000 193000 63300 66500 85000 133000 54300 1990 2940 1770 3950 2595 2940 17000 7130 5210 10300 12900 10500 1720 1120 3750 1780 4120 3595 268000 523000 183000 216000 228000 314000 79300 511000 206000 237000 638000 322000 3400 2230 2560 5540 3230 2190 11600 8890 7860 7370 9960 17500 53400 5480 18700 10500 11200 30400 209000 282000 245000 226000 209000 464000 264000 281000 172000 335000 195000 167000 5050 6060 8060 1920 4090 4170 20200 12500 8250 15800 15500 11400 AEA 12.7000 13.4000 15.2000 25.8000 18.7000 13.8000 205 224 231 196 180 162 3.8900 4.9900 4.0800 4.4400 3.0600 5.7900 4.7800 6.5000 6.6600 7.8700 5.9600 6.7850 3.4300 3.3400 2.9000 4.3600 3.4200 3.3400 20.2000 20.6000 54.3000 14.5000 19.3500 20.8500 206 301 152 232 197 234 6.9600 4.5300 3.3300 2.4900 3.6300 4.4300 5.6800 4.8400 3.9250 8.7500 6.7400 7.3900 3.2200 3.0200 2.2100 2.9200 3.5100 3.4900 29.7000 21 20.4000 17.5000 16.6000 23.4000 202 153 161 264 366 270 3.6100 3.5900 5.9500 2.9000 6.0600 2.2800 5.4900 9.2500 8.1300 8.6600 5.3100 5.9000 3.1100 2.3700 2.3900 2.3200 2.8800 2.1700 aLEA 2.2300 2.3700 2.2700 3.8400 3.6800 2.2400 0.4720 0.4530 0.4700 0.5930 0.2390 0.4730 0.7420 0.9140 1.5800 1.2900 0.7440 0.6995 1.8800 1.8000 2.3300 1.9700 2.2300 2.1800 0.4570 1.3000 0.1350 0.1060 0.2080 0.6300 0.8750 0.6310 0.8410 1.5100 0.7570 0.9080 4.1200 1.7400 2.2700 1.5200 2.0700 2.4200 0.1310 0.2340 2.4600 0.2010 0.3270 0.2140 0.7420 1.5500 2.1400 1.9000 0.8230 0.7515 DEA 58.6000 56.2000 84.4000 55.3000 49.1000 52.7000 0.7710 0.7380 1.0200 0.7960 49.7000 68.9000 57.7000 53 59.7000 75.5000 0.6280 0.6230 0.6920 0.7200 0.9420 1.0500 40.9000 53 66.3000 74.3000 80 83.3000 0.8370 0.7890 0.6800 0.8930 0.6660 DHEA 11.8000 9.3900 11.8000 16.1500 13.8000 10.8000 289 313 354 233 218 277 1.8500 2.7700 2.3400 3.2800 2.4900 2.8900 9.6800 12.1000 12.8000 13.1000 11.6500 13.2500 2.7400 2.7500 3.2400 4.0600 3.1000 3.6700 14.7000 13.4000 27.6000 13.1000 12.7500 13.7500 254 327 226 268 287 332 4.5100 3.0200 3.5100 2.4200 2.8700 2.3600 10.1000 13 11.5000 17.2000 14.3000 12.6000 3.0200 2.9300 2.2800 3.4200 3.2500 4.2800 31.6000 13.5000 14.9000 13.7000 12.5000 16.9000 309 189 233 318 400 366 2.7900 2.9000 4.2700 2.9700 4.9600 2.3400 13.6000 18.3000 15.6000 14.5000 11.9000 13.3500 2.9400 2.1400 2.6600 3.0200 3.4600 2.4100 Dihomo GLA EA 2.0300 2.0600 2.1100 3.1800 2.8000 2.4600 13.3000 11.9000 0.8640 0.5670 0.8370 0.8010 0.7040 1.1600 0.9190 1.6500 2.4900 1.7000 1.8200 1.6800 3.4100 4.0100 8.8400 2.4400 3.8550 3.7650 10.3000 10.2000 10.5000 17.7000 1.1700 1.9300 0.7120 0.5380 0.9870 1.3800 1.4800 1.0400 1.4300 3.2200 1.7000 1.8800 5.0100 2.6300 3.3100 2.7900 2.5100 4.1300 7.5300 12 13.9000 0.6640 0.9140 3.2600 0.8430 1.1700 0.7050 1.3500 2.3400 3.0400 3.0900 1.0100 1.5000 LEA 164 184 166 216.5000 225 161 194 206 281 172 143 209 14.2000 16.9000 14.2000 19.2000 11 16.7000 37 47.9000 45.1000 71.5000 32.8500 36.0500 26.5000 21 18.3000 27.6000 26.1000 20.7000 95.9000 106 189 80.3000 99.9000 145.5000 93 149 77.2000 126 88.5000 116 13 9.5000 7.3800 6.6500 9.8900 11.3000 26.7000 25.3000 29.1500 52.9000 38.3000 30.6000 10.7000 8.7200 7.8400 10 12.2000 10.7000 233 120 132 120 123 139 152 62.7000 71.7000 120 141 120 7.5000 9.5300 14.7000 7.7600 12 7.2200 44.7000 75.2000 61.1000 45.6000 32.4000 32.2000 10.2000 8.7300 10.1000 11.2000 11.3000 10 NA-Gly 0.3580 0.9340 1.5700 0.5985 12.7000 34.7000 29.6000 29 22 19.3000 62 0.7230 1.0400 9.7600 1.4400 6.3500 2.8900 1.0900 3.5300 6.9600 0.3650 0.3570 0.2655 26.6000 21.9000 22.4000 8.0800 23.3000 19.6000 2.7200 2.2800 4.0600 12.5000 1.3700 4.5600 3.1900 2.9600 2.6000 2.3600 0.9460 4.0100 22.1000 13.7000 51.5000 16.1000 41.1000 11 3.5300 1.5300 30.3000 22.9000 1.4600 0.5560 NO-Gly 6.1700 4.8800 6.0800 6.9750 26.5000 4.6800 50 55.3000 125 29.5000 34 41.8000 25.5000 26.5000 43.5000 23.1000 21.2000 105 4.7200 4.3300 21.5000 7.3200 8.0200 7.6000 3.1700 5.0800 15.5000 3.5700 3.0600 6.3050 36.1000 50 19.2000 48.5000 31 213 109 108 56.1000 40 42.4000 92.4000 7.3800 7.8600 8.5650 22.9000 7.2400 7.9500 19.8000 8.3100 7.0500 5.3900 3.0500 10.5000 58 38.9000 162 27.5000 214 50.7000 52.3000 41.5000 292 34.9000 108 26.5000 8.0800 8.7700 53.8000 64.3000 4.3400 7.3250 OEA 246 270 291 404.5000 523 325 785 701 973 587 582 678 29.6000 21.6000 24.6000 22.3000 19.7000 22.1000 75.5000 84 118 193 151.5000 177.5000 58.5000 36.8000 34.4000 57.8000 80.5000 41.5000 171 216 363 185 275 379.5000 610 1020 555 811 665 778 39.4000 34.5000 32.8000 28.3000 32.3000 41.5000 73.6000 59 145 424 135 89.5000 24.5000 21.2000 20.2000 29.6000 33.8000 30 714 242 316 276 301 348 673 584 672 935 993 1200 33.8000 40.5000 41.4000 38.6000 39.6000 31.1000 108 191 155 193 95.4000 103.1000 28.8000 45.3000 27.8000 28.4000 30.7000 32.7000 PEA 170 192 204 286 302 265 1960 2080 3230 1040 1500 2120 109 51.6000 64.4000 43.3000 46.6000 47.2000 1180 149 832 362 682 3063.5000 24.4000 28.2000 38 62.1000 29.3000 132 272 353 172 347 511.5000 1310 2220 1100 1830 1560 2200 143 101 134 93.5000 150 120 197 157 734 1880 455 309 23.8000 20.3000 21.2000 20.6000 25.4000 36.1000 538 211 270 154 189 273 2060 1290 1180 1830 2330 3350 82.9000 111 99.5000 123 110 82.3000 1500 922 417 622 3040 1111.5000 25.9000 44.3000 27.5000 26.4000 26.8000 26.2000 PGD2 EA PGE2 1G PGE2 EA PGF2a 1G PGF2a EA SEA 195 267 231 466 488 319 851 870 1520 503 680 896 133 89.1000 134 66.2000 63.4000 120 1540 168 1080 351 713 4595 70 31.9000 36.9000 50.3000 72 39.8000 130 229 540 82.8000 250.5000 230 589 1080 460 802 605 1150 116 70.9000 99 58 81 105 166 56.1000 592 2090 504 270 22.2000 21.1000 25.5000 359 172 189 140 134 229 888 498 705 775 1190 1980 90 82.5000 119 58.9000 82.4000 56.8000 1960 1200 597 961 4280 1329 22.4000 23.5000 22.1000 22.2000 MS_METABOLITE_DATA_END #METABOLITES METABOLITES_START metabolite_name moverz_quant ri ri_type pubchem_id inchi_key kegg_id other_id other_id_type 11(12)-EpETre EA 16061183 UCDavis_Newman_ID 15-HETE EA UCDavis_Newman_ID 1-AG 16019980 UCDavis_Newman_ID 1-LG 6436630 UCDavis_Newman_ID 1-OG 12178130 UCDavis_Newman_ID 2-AG 5282280 UCDavis_Newman_ID 2-LG 5365676 UCDavis_Newman_ID 2-OG 5319879 UCDavis_Newman_ID AEA 5281969 UCDavis_Newman_ID aLEA 5283449 UCDavis_Newman_ID DEA 5282273 UCDavis_Newman_ID DHEA 53245830 UCDavis_Newman_ID Dihomo GLA EA 5282272 UCDavis_Newman_ID LEA 5283446 UCDavis_Newman_ID NA-Gly 5283389 UCDavis_Newman_ID NO-Gly 6436908 UCDavis_Newman_ID OEA 5283454 UCDavis_Newman_ID PEA 4671 UCDavis_Newman_ID PGD2 EA UCDavis_Newman_ID PGE2 1G 52193688 UCDavis_Newman_ID PGE2 EA 35021785 UCDavis_Newman_ID PGF2a 1G 24778485 UCDavis_Newman_ID PGF2a EA 53481911 UCDavis_Newman_ID SEA 27902 UCDavis_Newman_ID METABOLITES_END #END