#METABOLOMICS WORKBENCH JiamengSun99_20240924_123714 DATATRACK_ID:5220 STUDY_ID:ST003495 ANALYSIS_ID:AN005735 PROJECT_ID:PR002144 VERSION 1 CREATED_ON September 25, 2024, 6:23 am #PROJECT PR:PROJECT_TITLE Hepatocyte Period 1 dictates oxidative substrate selection independent of the PR:PROJECT_TITLE core circadian clock PR:PROJECT_SUMMARY This project contains metabolomic data generated in the paper titled "Hepatocyte PR:PROJECT_SUMMARY Period 1 dictates oxidative substrate selection independent of the core PR:PROJECT_SUMMARY circadian clock" PR:INSTITUTE Washington University in St. Louis PR:LAST_NAME Sun PR:FIRST_NAME Jiameng PR:ADDRESS 660 S. Euclid Ave PR:EMAIL jiameng@wustl.edu PR:PHONE 3149349954 #STUDY ST:STUDY_TITLE Hepatocyte Period 1 dictates oxidative substrate selection independent of the ST:STUDY_TITLE core circadian clock ST:STUDY_SUMMARY We treated Per1fl/fl or Per1LKO mice with or without FGF21, fasted or refed ST:INSTITUTE Washington University in St. Louis ST:LAST_NAME Sun ST:FIRST_NAME Jiameng ST:ADDRESS 660 S. Euclid Ave ST:EMAIL jiameng@wustl.edu ST:PHONE 3149349954 #SUBJECT SU:SUBJECT_TYPE Mammal SU:SUBJECT_SPECIES Mus musculus SU:TAXONOMY_ID 10090 #FACTORS #SUBJECT_SAMPLE_FACTORS: SUBJECT(optional)[tab]SAMPLE[tab]FACTORS(NAME:VALUE pairs separated by |)[tab]Raw file names and additional sample data SUBJECT_SAMPLE_FACTORS - DBLiver_pP_1A Treatment:WT_Fast | Sample source:Mouse liver phase=positive; RAW_FILE_NAME(Raw file name)=DBLiver_pP_1A.mzML SUBJECT_SAMPLE_FACTORS - DBLiver_pP_1B Treatment:WT_Fast | Sample source:Mouse liver phase=positive; RAW_FILE_NAME(Raw file name)=DBLiver_pP_1B.mzML SUBJECT_SAMPLE_FACTORS - DBLiver_pP_2A Treatment:WT_Fast | Sample source:Mouse liver phase=positive; RAW_FILE_NAME(Raw file name)=DBLiver_pP_2A.mzML SUBJECT_SAMPLE_FACTORS - DBLiver_pP_4A Treatment:LKO_Fast | Sample source:Mouse liver phase=positive; RAW_FILE_NAME(Raw file name)=DBLiver_pP_4A.mzML SUBJECT_SAMPLE_FACTORS - DBLiver_pP_5A Treatment:LKO_Fast | Sample source:Mouse liver phase=positive; RAW_FILE_NAME(Raw file name)=DBLiver_pP_5A.mzML SUBJECT_SAMPLE_FACTORS - DBLiver_pP_5B Treatment:LKO_Fast | Sample source:Mouse liver phase=positive; RAW_FILE_NAME(Raw file name)=DBLiver_pP_5B.mzML SUBJECT_SAMPLE_FACTORS - DBLiver_pP_3A Treatment:WT_Fast_FGF21 | Sample source:Mouse liver phase=positive; RAW_FILE_NAME(Raw file name)=DBLiver_pP_3A.mzML SUBJECT_SAMPLE_FACTORS - DBLiver_pP_3B Treatment:WT_Fast_FGF21 | Sample source:Mouse liver phase=positive; RAW_FILE_NAME(Raw file name)=DBLiver_pP_3B.mzML SUBJECT_SAMPLE_FACTORS - DBLiver_pP_3C Treatment:WT_Fast_FGF21 | Sample source:Mouse liver phase=positive; RAW_FILE_NAME(Raw file name)=DBLiver_pP_3C.mzML SUBJECT_SAMPLE_FACTORS - DBLiver_pP_6C Treatment:LKO_Fast_FGF21 | Sample source:Mouse liver phase=positive; RAW_FILE_NAME(Raw file name)=DBLiver_pP_6C.mzML SUBJECT_SAMPLE_FACTORS - DBLiver_pP_6D Treatment:LKO_Fast_FGF21 | Sample source:Mouse liver phase=positive; RAW_FILE_NAME(Raw file name)=DBLiver_pP_6D.mzML SUBJECT_SAMPLE_FACTORS - DBLiver_pP_6E Treatment:LKO_Fast_FGF21 | Sample source:Mouse liver phase=positive; RAW_FILE_NAME(Raw file name)=DBLiver_pP_6E.mzML SUBJECT_SAMPLE_FACTORS - DBLiver_pP_2B Treatment:WT_Fast_Refeed | Sample source:Mouse liver phase=positive; RAW_FILE_NAME(Raw file name)=DBLiver_pP_2B.mzML SUBJECT_SAMPLE_FACTORS - DBLiver_pP_2C Treatment:WT_Fast_Refeed | Sample source:Mouse liver phase=positive; RAW_FILE_NAME(Raw file name)=DBLiver_pP_2C.mzML SUBJECT_SAMPLE_FACTORS - DBLiver_pP_2D Treatment:WT_Fast_Refeed | Sample source:Mouse liver phase=positive; RAW_FILE_NAME(Raw file name)=DBLiver_pP_2D.mzML SUBJECT_SAMPLE_FACTORS - DBLiver_pP_6A Treatment:LKO_Fast_Refeed | Sample source:Mouse liver phase=positive; RAW_FILE_NAME(Raw file name)=DBLiver_pP_6A.mzML SUBJECT_SAMPLE_FACTORS - DBLiver_pP_6B Treatment:LKO_Fast_Refeed | Sample source:Mouse liver phase=positive; RAW_FILE_NAME(Raw file name)=DBLiver_pP_6B.mzML SUBJECT_SAMPLE_FACTORS - DBLiver_nP_1A Treatment:WT_Fast | Sample source:Mouse liver phase=negative; RAW_FILE_NAME(Raw file name)=DBLiver_nP_1A.mzML SUBJECT_SAMPLE_FACTORS - DBLiver_nP_1B Treatment:WT_Fast | Sample source:Mouse liver phase=negative; RAW_FILE_NAME(Raw file name)=DBLiver_nP_1B.mzML SUBJECT_SAMPLE_FACTORS - DBLiver_nP_2A Treatment:WT_Fast | Sample source:Mouse liver phase=negative; RAW_FILE_NAME(Raw file name)=DBLiver_nP_2A.mzML SUBJECT_SAMPLE_FACTORS - DBLiver_nP_4A Treatment:LKO_Fast | Sample source:Mouse liver phase=negative; RAW_FILE_NAME(Raw file name)=DBLiver_nP_4A.mzML SUBJECT_SAMPLE_FACTORS - DBLiver_nP_5A Treatment:LKO_Fast | Sample source:Mouse liver phase=negative; RAW_FILE_NAME(Raw file name)=DBLiver_nP_5A.mzML SUBJECT_SAMPLE_FACTORS - DBLiver_nP_5B Treatment:LKO_Fast | Sample source:Mouse liver phase=negative; RAW_FILE_NAME(Raw file name)=DBLiver_nP_5B.mzML SUBJECT_SAMPLE_FACTORS - DBLiver_nP_3A Treatment:WT_Fast_FGF21 | Sample source:Mouse liver phase=negative; RAW_FILE_NAME(Raw file name)=DBLiver_nP_3A.mzML SUBJECT_SAMPLE_FACTORS - DBLiver_nP_3B Treatment:WT_Fast_FGF21 | Sample source:Mouse liver phase=negative; RAW_FILE_NAME(Raw file name)=DBLiver_nP_3B.mzML SUBJECT_SAMPLE_FACTORS - DBLiver_nP_3C Treatment:WT_Fast_FGF21 | Sample source:Mouse liver phase=negative; RAW_FILE_NAME(Raw file name)=DBLiver_nP_3C.mzML SUBJECT_SAMPLE_FACTORS - DBLiver_nP_6C Treatment:LKO_Fast_FGF21 | Sample source:Mouse liver phase=negative; RAW_FILE_NAME(Raw file name)=DBLiver_nP_6C.mzML SUBJECT_SAMPLE_FACTORS - DBLiver_nP_6D Treatment:LKO_Fast_FGF21 | Sample source:Mouse liver phase=negative; RAW_FILE_NAME(Raw file name)=DBLiver_nP_6D.mzML SUBJECT_SAMPLE_FACTORS - DBLiver_nP_6E Treatment:LKO_Fast_FGF21 | Sample source:Mouse liver phase=negative; RAW_FILE_NAME(Raw file name)=DBLiver_nP_6E.mzML SUBJECT_SAMPLE_FACTORS - DBLiver_nP_2B Treatment:WT_Fast_Refeed | Sample source:Mouse liver phase=negative; RAW_FILE_NAME(Raw file name)=DBLiver_nP_2B.mzML SUBJECT_SAMPLE_FACTORS - DBLiver_nP_2C Treatment:WT_Fast_Refeed | Sample source:Mouse liver phase=negative; RAW_FILE_NAME(Raw file name)=DBLiver_nP_2C.mzML SUBJECT_SAMPLE_FACTORS - DBLiver_nP_2D Treatment:WT_Fast_Refeed | Sample source:Mouse liver phase=negative; RAW_FILE_NAME(Raw file name)=DBLiver_nP_2D.mzML SUBJECT_SAMPLE_FACTORS - DBLiver_nP_6A Treatment:LKO_Fast_Refeed | Sample source:Mouse liver phase=negative; RAW_FILE_NAME(Raw file name)=DBLiver_nP_6A.mzML SUBJECT_SAMPLE_FACTORS - DBLiver_nP_6B Treatment:LKO_Fast_Refeed | Sample source:Mouse liver phase=negative; RAW_FILE_NAME(Raw file name)=DBLiver_nP_6B.mzML #COLLECTION CO:COLLECTION_SUMMARY All mouse studies were approved by the Institutional Care and Use Committee at CO:COLLECTION_SUMMARY Washington University in Saint Louis. To perform infusion studies, a catheter CO:COLLECTION_SUMMARY (Instech, C20PU-MJV1301) was placed in the right jugular vein and connected to a CO:COLLECTION_SUMMARY vascular access button (Instech, VABM1B/25) implanted subcutaneously in the back CO:COLLECTION_SUMMARY of the mice. All surgeries were performed at the Hope Center for Neurological CO:COLLECTION_SUMMARY Diseases, Washington University. Mice were allowed to recover from surgery for CO:COLLECTION_SUMMARY at least one week before tracer infusion. U13C-Glucose (CIL, CLM-1396-PK) was CO:COLLECTION_SUMMARY fresh prepared in saline at a concentration of 200mM. The mice were weighed to CO:COLLECTION_SUMMARY calculate the tracer infusion rate. To begin infusion, the vascular access CO:COLLECTION_SUMMARY button of individual mice was connected to the infusion line with a swivel CO:COLLECTION_SUMMARY (Instech, SMCLA), tether (Instech, KVABM1T/25), and infusion pump (CHEMYX, CO:COLLECTION_SUMMARY Fusion 100T). The infusion line was prefilled with 200mM U13C-Glucose. Prime CO:COLLECTION_SUMMARY infusion was initiated at 1ul/min/g for 2 minutes to clear the catheter locking CO:COLLECTION_SUMMARY solution, followed by continued infusion at 0.1ul/min/g for 2 hours. Following CO:COLLECTION_SUMMARY completion of the glucose infusion, mice were anesthetized and blood was CO:COLLECTION_SUMMARY collected by cardiac puncture. Tissues were subsequently collected as quickly as CO:COLLECTION_SUMMARY possible (in 10 min or less) following euthanasia and snap frozen in liquid CO:COLLECTION_SUMMARY nitrogen. Tissues were stored at −80 °C until processing for LC/MS analysis. CO:SAMPLE_TYPE Liver #TREATMENT TR:TREATMENT_SUMMARY Mice are treated with or without FGF21, mice were either 16h-fasted or TR:TREATMENT_SUMMARY 14h-fasted plus 2h-refed #SAMPLEPREP SP:SAMPLEPREP_SUMMARY The liver tissue was mixed with ice-cold methanol:acetonitrile:water (2:2:1), SP:SAMPLEPREP_SUMMARY and subjected to two cycles of 7m/s (30 s/cycle) using an Omni Bead Ruptor Elute SP:SAMPLEPREP_SUMMARY Homogenizer. For every 1 mg of tissue wet weight, 40 L of extraction solvent SP:SAMPLEPREP_SUMMARY was added. Samples were then incubated at -20 C for 1 h to precipitate SP:SAMPLEPREP_SUMMARY protein. Tissue extracts were centrifuged at 20,000 g and 4 C for 10 min, and SP:SAMPLEPREP_SUMMARY the supernatant was transferred into LC/MS vials. #CHROMATOGRAPHY CH:CHROMATOGRAPHY_TYPE HILIC CH:INSTRUMENT_NAME Thermo Scientific QExactive Plus Mass Spectrometer CH:COLUMN_NAME HILICON iHILIC-(P)-Classic column CH:SOLVENT_A 20 mM ammonium bicarbonate, 2.5 M medronic acid, 0.1% ammonium hydroxide in CH:SOLVENT_A water:acetonitrile 95:5 CH:SOLVENT_B water:acetonitrile 5:95 CH:FLOW_GRADIENT linear gradient CH:FLOW_RATE 0.25 mL min-1: 0 – 1min, 90% B; 12min, 35% B; 12.5 – 14.5min, 25% B; 15min, CH:FLOW_RATE 90% B CH:COLUMN_TEMPERATURE 40 #ANALYSIS AN:ANALYSIS_TYPE MS #MS MS:INSTRUMENT_NAME Thermo Q Exactive Plus Orbitrap MS:INSTRUMENT_TYPE Orbitrap MS:MS_TYPE Other MS:ION_MODE POSITIVE MS:MS_COMMENTS LC/MS data were processed and analyzed with the open-source Skyline software MS:MS_COMMENTS [Please cite: 10.1021/acs.jproteome.9b00640] Natural-abundance correction of 13C MS:MS_COMMENTS was performed with AccuCor [Please cite: 10.1021/acs.analchem.7b00396]. #MS_METABOLITE_DATA MS_METABOLITE_DATA:UNITS Raw Area MS_METABOLITE_DATA_START Samples DBLiver_pP_1A DBLiver_pP_1B DBLiver_pP_2A DBLiver_pP_4A DBLiver_pP_5A DBLiver_pP_5B DBLiver_pP_3A DBLiver_pP_3B DBLiver_pP_3C DBLiver_pP_6C DBLiver_pP_6D DBLiver_pP_6E DBLiver_pP_2B DBLiver_pP_2C DBLiver_pP_2D DBLiver_pP_6A DBLiver_pP_6B Factors Treatment:WT_Fast | Sample source:Mouse liver Treatment:WT_Fast | Sample source:Mouse liver Treatment:WT_Fast | Sample source:Mouse liver Treatment:LKO_Fast | Sample source:Mouse liver Treatment:LKO_Fast | Sample source:Mouse liver Treatment:LKO_Fast | Sample source:Mouse liver Treatment:WT_Fast_FGF21 | Sample source:Mouse liver Treatment:WT_Fast_FGF21 | Sample source:Mouse liver Treatment:WT_Fast_FGF21 | Sample source:Mouse liver Treatment:LKO_Fast_FGF21 | Sample source:Mouse liver Treatment:LKO_Fast_FGF21 | Sample source:Mouse liver Treatment:LKO_Fast_FGF21 | Sample source:Mouse liver Treatment:WT_Fast_Refeed | Sample source:Mouse liver Treatment:WT_Fast_Refeed | Sample source:Mouse liver Treatment:WT_Fast_Refeed | Sample source:Mouse liver Treatment:LKO_Fast_Refeed | Sample source:Mouse liver Treatment:LKO_Fast_Refeed | Sample source:Mouse liver Glutamate 2371230464 3910186240 2307458048 3024498176 1493028736 1998283648 1803374720 1681056512 1616529792 2729276928 3297710080 1774983296 1331365120 3574580224 6362001408 1316059776 1180871552 Glutamine 30254575616 44231831552 25738897408 13640034304 26995212288 35205083136 29976197120 19850465280 18457726976 14646587392 17108579328 16370232320 37796098048 26710673408 65832026112 24825659392 26987386880 Alanine 94161944 174211248 192122672 158940640 65006044 160975824 40963368 147550736 90178776 189200480 122465776 97842648 449250752 318475680 307667424 136704224 58962060 Valine 5823467008 6058848768 7883340288 20257030144 4333293056 4695724032 4100788992 6600685056 6290348032 14677694464 24302428160 5760224256 4357831168 5521402880 8357759488 2565120256 2276871168 Leucine 3654458112 4113449216 4613775872 6642293760 3470142720 3855198976 2849412096 4880377344 3992344832 8367387648 10889847808 4956445184 3558298368 3500065024 5778924544 3097858560 3133886976 Isoleucine 4839457792 5533902336 6068245504 8546962432 3907479040 4417984000 3985863936 5447947264 5050180608 9177411584 8180806656 4843767296 4277798144 4296862720 7829877248 2440869632 2681884928 Histidine 3812846592 3617491200 2456829440 1829877632 2823273472 2590272512 2571347968 1766362240 1689590528 2339203840 4102984960 1662131328 3624962048 3348893184 10643244032 2369025536 3504730624 Asparagine 106560056 109439400 109783240 169574928 67431176 82662144 74141976 89144744 89866944 136013408 125161536 109498512 82258400 98475704 215331888 58356948 50539832 Proline 9171442688 12064849920 12612361216 15601300480 5796686848 8025727488 7242866176 8664459264 8789775360 16782993408 20415893504 9328120832 13575043072 21514661888 24499621888 8502032896 7464721920 Methionine 1653963008 1846357888 1898082688 1812375040 1008995968 1136505088 1202355712 985664512 1138935168 1345520768 1163755776 1113714176 2574957824 2776959744 5732215296 1765428224 2096695680 Lysine 106115128 126777624 85301424 248196464 77084656 83721336 66420300 58141620 99019680 380116992 3402651904 82417960 127666240 110865584 402489728 71783632 93029048 Phenylalanine 3340920576 3714678528 4341268480 5798394880 2558514944 3123370752 2734637312 3302152960 2660717824 4715774464 3032503552 3285882624 3731270912 3236433408 7731884032 2081060096 2204322048 Serine 340795488 260886896 340044192 155102784 200962656 169392256 252060112 127331320 164538576 330315296 396631840 230961280 227015120 248044336 971890944 174992576 221110112 Threonine 1978945920 1788611200 2086722176 1213173888 1316859648 1146876928 1415896192 954158720 958829504 1989028224 2488869120 1372563456 1894259456 1970203648 4534093312 1115421568 1129348096 Tyrosine 717757120 776772480 875800448 1525129088 416236448 564725760 547013888 566876864 563949568 1549603200 1492443904 725375104 681099008 611520832 1961618944 499154240 586663744 Tryptophan 436401696 555031424 537949184 807525632 294006528 424716416 424490336 624907200 448367264 598043200 351548992 443620128 667322496 496055616 957594752 390879808 399755008 Adenine 1037389056 1570231424 1381381760 1070053504 728253824 1024493312 866939008 990791296 910928384 1269574016 882006400 929718528 1129951616 1022773568 2415975680 732462016 833867200 Adenosine 11847410688 7758978560 5595758592 5842731520 6162813440 5457917440 8973626368 5272153088 5106870784 4689105408 4998092288 5029779456 6013750272 5107642880 9841918976 5069210624 4667954176 Guanosine 140537792 132157592 129471912 109929872 76948264 96988392 155694512 102762800 117883224 125508992 97678552 132962880 89380856 66142452 174826320 75034400 68766872 Cytidine 314470560 255630256 339651648 455174432 200200000 140941424 213475328 255760672 291946304 461923712 267896320 238962464 118765960 139331168 461371136 97069736 119989152 UMP 235401344 311966400 181421232 100571400 139677520 208148080 181295184 144937552 174532880 197309312 184292432 177112880 217945568 250820864 706889536 127726440 130158544 UDP 12388491 20059666 7197872 3447935 5750856 10581768 11615789 7248787 7859216 4765999 4585161 8448519 13468737 12785552 35127632 8074269 8346712 AMP 3296367360 4211870720 2596503808 1168248064 2074750336 3068256768 2725629696 1940040960 2433212672 2456146944 3222233344 2784986368 2134946176 2764650752 6877220864 2144355840 2401305088 ADP 112460000 193142384 70034016 70012136 64413424 88414888 80494584 85072232 85323408 73421200 78935488 57547564 135242976 158466192 233827888 56848392 77993848 ATP 3544681 6809384 1966740 2234925 2334004 2037253 2973725 2281078 1865332 1667859 1243810 1103500 6166751 5412234 9222169 1712701 2716567 Choline 33478170 42122264 15392229 12047232 20600492 21442398 39028936 24337272 23871050 18488362 12959270 13363411 43892716 47838816 43987808 15168843 17998296 CDP-Choline 7605904 13990815 12730876 10383940 2504568 7251676 3837407 6668484 5987690 9392189 14323339 6965029 11721169 10856365 25456768 4946067 2602543 NAD+ 138314992 251973792 95525192 163956128 95763920 202210080 124260160 176064544 183507232 154097408 162060272 104349368 264997392 291536224 272742496 142824336 88200056 FAD 40710112 55209928 31822352 17499756 20765954 41740372 35883240 20351936 26269680 27744766 36608308 32221084 33951048 43239304 123319088 29512800 34026600 Creatine 45733875712 55070904320 88501051392 1.84E+11 37944958976 30574598144 29108049920 36126318592 46968700928 58476933120 45378732032 38812545024 32889704448 25070921728 47223427072 17941288960 19965974528 Phosphocreatine 31246532 93869744 26894480 69391384 30078852 24035736 8442043 28461844 43162464 22596948 32908982 10163597 30718662 19740892 12598198 11749364 4506806 Ornithine 89243656 94213064 91044472 238067520 47389520 55770572 36164884 73730312 75240840 234824960 1562225024 90632768 82781592 129034016 289525408 55414096 74954968 Citrulline 580792448 629586112 602641344 1250938368 432365184 413824064 551766144 412305728 437092512 1238430336 13322304512 639065152 737424768 851238336 915647360 435777472 670912192 S-Adenosylhomocysteine 369102176 614188928 697956352 528401280 211030800 663488832 253225920 503351904 374748064 513739904 848028224 655080576 841530176 583287168 932987328 500060832 313194976 S-Adenosylmethionine 97034472 80194008 106176040 59688900 50838604 53789320 71735248 51188320 84023136 112964664 89076464 71124856 62978640 73031968 152117024 62099832 101407496 Carnitine 35166060544 41203658752 49230626816 63907467264 16971065344 24402102272 17801986048 21144209408 23490772992 44936708096 46734843904 22608101376 39862902784 71689551872 94969126912 17401673728 23436431360 Methylguanine 28641336 31240930 25609444 32062746 18265240 21648950 22457044 25403108 22999606 31757146 18253296 25812120 17695762 16829590 33917284 12640619 12807237 3-Indoleacrylic acid 62470452 79984128 78194296 115783904 41347964 57797332 61235360 89522176 64359168 85557736 47871044 60695780 95759280 68555168 138134480 56125812 56175552 Acetyl-Lysine 126424688 131993832 120439448 130251488 78358952 83692624 80364840 72082464 85469736 203155440 432571360 80410440 148583344 274961536 300108992 109267808 92358896 N,N-Dimethylarginine 149101376 179864160 162714320 264702720 99345432 126395016 80127424 129840944 147686416 254844880 308719488 131422616 67156888 106348896 230195456 45631040 47967940 Acetylcarnitine 27306962944 41532837888 32217516032 47384154112 21793533952 21268916224 10137830400 22214182912 34596687872 34748375040 22068109312 11704375296 32945223680 54642270208 22811127808 11655529472 8451564544 Hypoxanthine 21347156 19383440 29903474 19244384 6283232 11297162 18228294 5424844 6987388 18878112 11919663 18434298 14814529 6729344 85684048 9763495 10706217 Pyroglutamate 4406548992 6514817024 3806381312 2105660032 3926863616 5052710912 4322144256 2845328640 2706350848 2284462080 2749150976 2395499776 5353638912 4175648768 9659324416 3567437312 3858701312 MS_METABOLITE_DATA_END #METABOLITES METABOLITES_START metabolite_name retention index quantified m/z PubChem ID KEGG ID Glutamate 6.43 148.06 3327 C00025 Glutamine 6.51 147.08 3364 C00064 Alanine 5.79 90.05 3343 C00041 Valine 4.94 118.09 3483 C00183 Leucine 4.12 132.10 3423 C00123 Isoleucine 4.34 132.10 3697 C00407 Histidine 6.72 156.08 3435 C00135 Asparagine 6.55 133.06 3452 C00152 Proline 5.08 116.07 3448 C00148 Methionine 4.45 150.06 3373 C00073 Lysine 10.44 147.11 3349 C00047 Phenylalanine 3.64 166.09 5146 C02057 Serine 6.74 106.05 3365 C00065 Threonine 5.96 120.07 3488 C00188 Tyrosine 5.38 182.08 3382 C00082 Tryptophan 4.66 205.10 3378 C00078 Adenine 2.82 136.06 3447 C00147 Adenosine 2.82 268.10 3512 C00212 Guanosine 5.17 284.10 3677 C00387 Cytidine 4.59 244.09 5877 C02961 UMP 7.01 325.04 3405 C00105 UDP 7.9 405.01 3317 C00015 AMP 6.33 348.07 3322 C00020 ADP 7.48 428.04 3310 C00008 ATP 8.23 508.00 3304 C00002 Choline 6.33 104.11 3414 C00114 CDP-Choline 7.15 490.12 3601 C00307 NAD+ 6.61 664.12 3305 C00003 FAD 5.32 786.16 3318 C00016 Creatine 6.23 132.08 3594 C00300 Phosphocreatine 7.28 212.04 5359 C02305 Ornithine 9.81 133.10 3377 C00077 Citrulline 7.01 176.10 3621 C00327 S-Adenosylhomocysteine 6.06 385.13 3323 C00021 S-Adenosylmethionine 7.59 399.14 3321 C00019 Carnitine 5.46 162.11 3612 C00318 Methylguanine 3.11 166.07 5305/5294 C02242/C02230 3-Indoleacrylic acid 4.66 188.07 318172263 C21283 Acetyl-Lysine 6.54 189.12 5689 C02727 N,N-Dimethylarginine 9.15 203.15 6410 C03626 Acetylcarnitine 4.19 204.12 5567 C02571 Hypoxanthine 3.89 153.04 3675 C00385 Pyroglutamate 6.51 130.05 4992 C01879 METABOLITES_END #END