#METABOLOMICS WORKBENCH mlafrano_20150924_9047701_mwtab.txt DATATRACK_ID:384 STUDY_ID:ST000257 ANALYSIS_ID:AN000408 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 Ceramide 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 5 mm NH4COO 0.2% formic acid CH:SOLVENT_B 5 mm NH4COO 0.2% formic acid in MeOH CH:ANALYTICAL_TIME 15 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 Ceramide 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 18:0 Sphinganine-1P 818 841 663 573 688 1160 879 962 732 1030 842 870 1130 586 822 760 1040 730 18:1 Sphingosine 474 623 410 336 558 380 3490 3170 3520 4800 4530 5260 332 377 349 415 416 449.5000 33.4000 27.3000 36.4000 19.3000 30.4000 62.2000 151 184 290 196 242.5000 319 5800 5930 5510 6550 5440 6450 308 403 306.5000 532 364 354 53.4000 54.8000 21.7000 88.6000 35.6000 33.9000 3180 424 1130 494 541 1170 6210 7360 4950 8540 9370 8220 360 400 462 406 417 439 42.6000 43.7000 90.4000 20.3000 37.6000 47.2000 18:1 Sphingosine-1P 143 139 162 204 165 88.1000 968 808 811 736 817 1390 347 404 128 164 174 299 1180 1190 920 1310 1180 1060 262 250 497 283 317 231 1570 910 1130 1010 1170 1050 C14 Ceramide 79.6000 83.3000 71.2000 108 62.1000 73.7000 1700 2840 1530 3850 1960 1490 190 160 213 163 187 265 18.7000 19.5000 16.6000 25.8000 31.8000 34.9000 26.2000 10.7000 11 10.5000 7.6900 8.1200 85 98.3000 111 102 96.6500 108 3110 4280 2560 3040 2740 2850 233 269 294 383 336 330 21.8000 33.9000 34.9000 36.2000 30.6000 29.3000 9.3900 8.3800 7.7300 9.8300 8.0500 8.7000 190 82.5000 118 97.8000 89.8000 129 1060 2240 3100 3040 3010 1730 343 337 249 313 334 318 22.9000 17.2000 24.1000 19.1000 27.9000 36.9500 4.3000 3.3900 6.6300 6.7800 6.2500 8.1400 C16 Ceramide 4820 6510 2970 3935 9300 3270 63700 92700 62900 107000 69300 49300 10500 9600 12700 9720 11300 14700 556 598 540 783 827.5000 774.5000 1100 523 512 412 352 406 2050 2990 4680 3310 3405 3050 105000 197000 73700 117000 71200 92700 17400 14600 14700 16800 16200 15500 470 609 707.5000 942 601 588 375 351 355 365 331 328 13000 2950 6550 2980 2490 7160 44500 61400 76100 103000 118000 67800 16900 17500 16100 17200 18000 15000 653 692 1070 665 801 784.5000 241 306 322 253 305 489 C18:1 Ceramide 849 802 544 611.5000 1840 628 457000 534000 269000 611000 510000 213000 98.6000 138 137 84.6000 136 193 996 819 1010 882 929.5000 949.5000 8.3300 4.7300 5 3.7700 2.8900 5.3800 174 219 351 220 241 230.5000 616000 961000 403000 661000 471000 591000 151 122 127 120 102 99.1000 523 754 768 762 646 598 3.0600 3.2600 2.3500 3.0500 3.1900 3.2100 436 257 343 307 262 343 177000 371000 469000 510000 655000 476000 154 126 106 180 138 134 975 712 1090 783 639 969.5000 2.6600 2.7000 4.1500 3.3000 3.2700 5.3600 C18 Ceramide 2510 1790 1850 2740 3860 1920 1890000 1800000 2280000 1350000 1770000 1490000 1190 1400 1360 1060 1710 2070 6820 7510 7730 11000 11645 10795 113 48.3000 41.2000 28.1000 23.4000 40.3000 588 674 717 699 783.5000 873 1920000 3720000 1090000 2360000 1450000 2050000 1340 1600 1860 1680 1480 1630 6360 8510 11215 9360 7760 7490 28 34.8000 30.8000 31.3000 29.3000 26.9000 1860 663 939 1070 973 1230 1450000 1100000 1300000 1780000 3110000 2330000 1960 2050 1430 2970 1880 1670 12000 6270 12700 9350 9010 14500 23.8000 39.3000 46.6000 28 32.9000 69.5000 C18 dihydroceramide 87.1000 63.8000 60 70.3000 111 107 15400 12100 21400 7150 13400 14800 10.2000 14.2000 13.8000 8.0800 12 16.1000 29.6000 35.6000 52.3000 89.1000 81.5000 123 32.5000 20.1000 11 21.6000 11.8000 11.4000 21.4000 42.6000 23.4000 20.5000 76.8000 38.3500 12100 25700 6090 15200 9490 15300 52.9000 15.4000 63.5000 30.2000 16 15.8000 43.7000 32.2000 96.2500 225 55.3000 47.8000 3.4400 4.2700 6.0700 4.9600 3.5000 3.5500 75 25.3000 43.3000 29.9000 31.3000 43.3000 13500 6520 7060 12400 23800 17100 25.1000 35.1000 4.2000 57.6000 11 16.4000 61.5000 56.2000 138 79.4000 67.7000 59.5500 3.1500 4.1200 3.4400 2.1900 3.7800 5.4800 C20 Ceramide 738 1170 688 781 1040 670 109000 123000 132000 84400 115000 106000 5050 6550 6650 5380 6250 5350 68.9000 113 124 92.8000 108.0500 73.5500 406 110 75.6000 39.5000 38.2000 105 620 550 543 574 552.5000 513 125000 224000 76400 140000 93100 141000 1720 2730 2310 2390 3210 3020 100 91.3000 73.6000 157 118 125 43.2000 50.4000 50.2000 46.3000 47.3000 42.8000 1290 479 595 303 479 743 62300 74200 84000 112000 172000 141000 3110 3130 6080 2800 4020 3340 109 98.3000 185 92.7000 117 90.1000 54 67.4000 49.5000 44.1000 52.9000 68 C24 Ceramide 284 409 302 463.5000 1690 290 12800 14100 16000 11500 10600 10600 7380 7920 9460 13500 7620 7830 72.3000 142 151 297 317 109 760 61.2000 12.5000 79.6000 46.6000 94.3000 473 349 301 375 324 276.5000 16200 27700 8530 18800 11500 13700 7720 9790 8700 9880 11500 12000 264 110 154.6000 350 208 223 71.5000 61.6000 83.9000 50.5000 94 36.2000 5480 347 652 374 309 1090 7780 8220 6700 14400 17400 16000 8980 11400 15700 9890 11900 12200 235 169 500 315 385 331 142 179 28.7000 45.9000 78.2000 37.9000 C24 dihydroceramide 11.3000 14.8000 10.8000 7.8300 15.7000 11.4000 427 423 417 439 257 282 2.4500 3.8000 2.4700 7.8000 6.3950 4.5850 79.3000 8.8000 14.3000 10.6000 11.8000 12.7000 6.9000 5.5150 358 413 669 514 480 756 4.3100 7 5.9700 5.9500 3.7600 3.8600 83.5000 10.5000 17.3000 10.6000 7.6400 16.8000 294 605 680 468 352 540 3.9300 4.3200 7.9600 2.1700 6.6300 6.4400 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 18:0 Sphinganine-1P 44317142 UCDavis_Newman_ID 18:1 Sphingosine 5353955 UCDavis_Newman_ID 18:1 Sphingosine-1P 5353955 UCDavis_Newman_ID C14 Ceramide 5282310 UCDavis_Newman_ID C16 Ceramide 5283564 UCDavis_Newman_ID C18:1 Ceramide 5283563 UCDavis_Newman_ID C18 Ceramide 13846207 UCDavis_Newman_ID C18 dihydroceramide 5283573 UCDavis_Newman_ID C20 Ceramide 5283566 UCDavis_Newman_ID C24 Ceramide 5283571 UCDavis_Newman_ID C24 dihydroceramide 5283577 UCDavis_Newman_ID METABOLITES_END #END