#METABOLOMICS WORKBENCH htomatsu_20201202_234640 DATATRACK_ID:2341 STUDY_ID:ST001684 ANALYSIS_ID:AN002751 PROJECT_ID:000000 VERSION 1 CREATED_ON December 21, 2020, 7:38 pm #PROJECT PR:PROJECT_TITLE An overexpression of lipoprotein lipase leads to an alteration in the skeletal PR:PROJECT_TITLE muscle metabolome in transgenic rabbits PR:PROJECT_SUMMARY The purpose of the current study was to characterize the skeletal muscle PR:PROJECT_SUMMARY metabolome in the lipoprotein lipase (LPL) transgenic rabbits. The skeletal PR:PROJECT_SUMMARY muscle metabolite profile was analyzed using capillary electrophoresis time-of PR:PROJECT_SUMMARY flight mass spectrometry in the control rabbits and LPL transgenic rabbits (n = PR:PROJECT_SUMMARY 9, each group). PR:INSTITUTE Saga University PR:LAST_NAME Nishida PR:FIRST_NAME Yuichiro PR:ADDRESS Department of Preventive Medicine, Faculty of Medicine, Saga University, 5-1-1 PR:ADDRESS Nabeshima, Saga 849-8501 PR:EMAIL ynishida@cc.saga-u.ac.jp PR:PHONE +81 952 34 2287 #STUDY ST:STUDY_TITLE An overexpression of lipoprotein lipase leads to an alteration in the skeletal ST:STUDY_TITLE muscle metabolome in transgenic rabbits ST:STUDY_SUMMARY The purpose of the current study was to characterize the skeletal muscle ST:STUDY_SUMMARY metabolome in the lipoprotein lipase (LPL) transgenic rabbits. The skeletal ST:STUDY_SUMMARY muscle metabolite profile was analyzed using capillary electrophoresis time-of ST:STUDY_SUMMARY flight mass spectrometry in the control rabbits and LPL transgenic rabbits (n = ST:STUDY_SUMMARY 9, each group). ST:INSTITUTE Saga University ST:LAST_NAME Nishida ST:FIRST_NAME Yuichiro ST:ADDRESS Department of Preventive Medicine, Faculty of Medicine, Saga University, 5-1-1 ST:ADDRESS Nabeshima, Saga 849-8501 ST:EMAIL ynishida@cc.saga-u.ac.jp ST:PHONE +81 952 34 2287 #SUBJECT SU:SUBJECT_TYPE Mammal SU:SUBJECT_SPECIES Oryctolagus cuniculus #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 - 2311 Genotype:Transgenic SUBJECT_SAMPLE_FACTORS - 2312 Genotype:Transgenic SUBJECT_SAMPLE_FACTORS - 2313 Genotype:Transgenic SUBJECT_SAMPLE_FACTORS - 2314 Genotype:Transgenic SUBJECT_SAMPLE_FACTORS - 2315 Genotype:Transgenic SUBJECT_SAMPLE_FACTORS - 2316 Genotype:Transgenic SUBJECT_SAMPLE_FACTORS - 2258 Genotype:Transgenic SUBJECT_SAMPLE_FACTORS - 2284 Genotype:Transgenic SUBJECT_SAMPLE_FACTORS - 2285 Genotype:Transgenic SUBJECT_SAMPLE_FACTORS - 2317 Genotype:Wild-type SUBJECT_SAMPLE_FACTORS - 2318 Genotype:Wild-type SUBJECT_SAMPLE_FACTORS - 2319 Genotype:Wild-type SUBJECT_SAMPLE_FACTORS - 2320 Genotype:Wild-type SUBJECT_SAMPLE_FACTORS - 2322 Genotype:Wild-type SUBJECT_SAMPLE_FACTORS - 2260 Genotype:Wild-type SUBJECT_SAMPLE_FACTORS - 2262 Genotype:Wild-type SUBJECT_SAMPLE_FACTORS - 2287 Genotype:Wild-type SUBJECT_SAMPLE_FACTORS - 2289 Genotype:Wild-type #COLLECTION CO:COLLECTION_SUMMARY Immediately after the scarification, gastrocnemius muscle was dissected. These CO:COLLECTION_SUMMARY muscle samples were immediately frozen in liquid nitrogen, and stored at -80 CO:COLLECTION_SUMMARY degree until a metabolome analysis. CO:SAMPLE_TYPE Muscle #TREATMENT TR:TREATMENT_SUMMARY At the end of high fat diet feeding for 16 weeks (40 weeks old), after overnight TR:TREATMENT_SUMMARY fasting, rabbits were sacrificed between 08:30 and 12:30 by overdose of TR:TREATMENT_SUMMARY thiamylal sodium. #SAMPLEPREP SP:SAMPLEPREP_SUMMARY The samples were mixed with 1500 µL of 50% acetonitrile in water (v/v) SP:SAMPLEPREP_SUMMARY containing internal standards (20 μM) and homogenized by a homogenizer (4500 SP:SAMPLEPREP_SUMMARY rpm, 60 sec × 10 times). The supernatant (400 µL) was then filtrated through SP:SAMPLEPREP_SUMMARY 5-kDa cut-off filter (ULTRAFREE-MC-PLHCC, Human Metabolome Technologies, SP:SAMPLEPREP_SUMMARY Yamagata, Japan) to remove macromolecules. The filtrate was centrifugally SP:SAMPLEPREP_SUMMARY concentrated and resuspended in 50 µL of ultrapure water immediately before the SP:SAMPLEPREP_SUMMARY measurement. #CHROMATOGRAPHY CH:CHROMATOGRAPHY_TYPE Other CH:INSTRUMENT_NAME Agilent CE CH:COLUMN_NAME Agilent Fused silica capillary (800 mm x 50 um) #ANALYSIS AN:ANALYSIS_TYPE MS #MS MS:INSTRUMENT_NAME Agilent CE-TOFMS MS:INSTRUMENT_TYPE QTOF MS:MS_TYPE ESI MS:ION_MODE NEGATIVE MS:MS_COMMENTS - #MS_METABOLITE_DATA MS_METABOLITE_DATA:UNITS Relative Area MS_METABOLITE_DATA_START Samples 2311 2312 2313 2314 2315 2316 2258 2284 2285 2317 2318 2319 2320 2322 2260 2262 2287 2289 Factors Genotype:Transgenic Genotype:Transgenic Genotype:Transgenic Genotype:Transgenic Genotype:Transgenic Genotype:Transgenic Genotype:Transgenic Genotype:Transgenic Genotype:Transgenic Genotype:Wild-type Genotype:Wild-type Genotype:Wild-type Genotype:Wild-type Genotype:Wild-type Genotype:Wild-type Genotype:Wild-type Genotype:Wild-type Genotype:Wild-type Urea 0.373466956 0.464356623 0.41951787 0.426447218 0.326595613 0.389609696 0.390658196 0.404098678 0.40224928 0.356010014 0.363724237 0.424652906 0.331201432 0.468405559 0.391752439 0.348315414 0.337348274 0.330429684 Ethanolamine 0.003057983 0.002393337 0.002629135 0.002303703 0.002907562 0.002402557 0.00271942 0.00265504 0.002663567 0.002608941 0.002915642 0.00283723 0.002980619 0.00289121 0.002862158 0.002861343 0.003038414 0.00301036 Glycine 0.206453581 0.221933024 0.190591009 0.204099169 0.275999413 0.19461524 0.170583171 0.316491742 0.240597548 0.237053793 0.237909116 0.181226682 0.193559548 0.223159859 0.189055844 0.200232863 0.239737402 0.222965028 Trimethylamine N-oxide 0.000257912 0.00026162 0.000395954 0.001115185 0.000398624 0.000233487 0.000634882 0.000429197 0.00050533 0.000256102 0.000364164 0.000224568 0.000346043 0.000337712 0.000437699 0.001225618 0.000373786 0.00038058 Putrescine N.D. 0.000282863 0.000296757 0.00033963 0.000491009 0.000358165 0.000289404 0.000338233 0.00031222 N.D. 0.000372697 0.000460091 0.000395062 0.00035401 0.000291531 0.000267001 0.000411464 0.000363246 Sarcosine 0.00150456 0.000994677 0.001503792 0.000844814 0.00118518 0.001124691 0.000932566 0.001242321 0.000894319 0.002375621 0.001351946 0.001127477 0.001262453 0.001425138 0.001267596 0.001470663 0.001433221 0.001621704 beta-Alanine 0.021374864 0.028638431 0.038985216 0.028594802 0.05248496 0.034035096 0.027639779 0.028735676 0.047363691 0.063096925 0.045108685 0.050950057 0.03910531 0.037981431 0.034055573 0.031141514 0.058211463 0.062703317 Alanine 0.37881046 0.311070117 0.294898219 0.272948397 0.26459414 0.331929213 0.381313719 0.30814312 0.303377955 0.283567723 0.290562094 0.268936855 0.323234143 0.26328923 0.253104481 0.239821574 0.314534988 0.302183531 Glycerol 0.17904858 0.145792327 0.178585267 0.217089533 0.232266651 0.203127981 0.167583379 0.205359278 0.187370131 0.122263157 0.142949852 0.145173977 0.204997234 0.124454303 0.142719728 0.131050148 0.121476878 0.182974811 Homoserine lactone 0.000324196 N.D. N.D. N.D. N.D. 0.000238993 N.D. N.D. N.D. N.D. N.D. N.D. N.D. N.D. N.D. N.D. N.D. N.D. gamma-Aminobutyric acid 0.000689608 0.000831817 0.00096321 0.000498148 0.000907597 0.000891851 0.000553217 0.000519734 0.001006703 0.000866897 0.001300366 0.00183236 0.000594878 0.000902461 0.000863318 0.000892749 0.001947271 0.000733811 Dimethylglycine N.D. N.D. N.D. N.D. N.D. N.D. 0.000507304 N.D. N.D. N.D. N.D. N.D. N.D. N.D. N.D. N.D. N.D. N.D. 2-Aminobutyric acid 0.001828331 0.001879414 0.001636332 0.001173703 0.002627841 0.001217309 0.001619007 0.00195167 0.002803651 0.00133393 0.001939108 0.00226675 0.00312103 0.0019535 0.002052797 0.002090137 0.002695963 0.002312758 Choline 0.012189867 0.015491846 0.011124641 0.017871844 0.010660206 0.010170794 0.011814384 0.013859849 0.009704153 0.012792922 0.016623582 0.013118501 0.015243739 0.008159291 0.009700251 0.011309324 0.014619454 0.011409708 Serine 0.096644075 0.066464489 0.057802618 0.086002925 0.088131039 0.059958038 0.074509685 0.074664842 0.076219727 0.059801773 0.067541058 0.065981392 0.07123784 0.043636877 0.063046801 0.059184874 0.078306031 0.067835374 Hypotaurine 0.008871847 0.005406065 0.004025394 0.003226665 0.009220111 0.004805762 0.006750001 0.006938039 0.009220588 0.006009755 0.005570281 0.010606116 0.009233481 0.00407415 0.008373463 0.004845621 0.006322662 0.007269163 Creatinine 0.049217083 0.052013905 0.053401277 0.057743308 0.052619689 0.042375554 0.050571192 0.0564763 0.048474863 0.053339519 0.052319063 0.052736071 0.047394547 0.060867775 0.039004755 0.04988492 0.057779856 0.053848274 Proline 0.084145308 0.077912408 0.064693052 0.0744133 0.08181293 0.072148288 0.074696349 0.068605696 0.080235457 0.061116849 0.069338223 0.069378568 0.068775661 0.061455265 0.059935795 0.061497316 0.070970937 0.056257333 Guanidoacetic acid 0.000338643 0.000349945 0.000456389 0.000264815 0.000340884 0.000288864 0.000417359 0.00044329 N.D. 0.000465461 0.000415357 0.000747016 0.000424556 0.000408969 0.000439712 0.000442258 0.000307012 0.000412552 Valine 0.064742816 0.069154105 0.053742214 0.055555901 0.067531316 0.057008194 0.052261327 0.055157107 0.068499696 0.049137404 0.057003559 0.054027866 0.063539742 0.060857541 0.0502138 0.054396103 0.061072683 0.042793338 Betaine 0.12732928 0.140604279 0.133533618 0.090401071 0.126432759 0.158442487 0.186481576 0.135646639 0.104688356 0.084184094 0.154631036 0.120711613 0.104897444 0.149785744 0.178128263 0.176447017 0.188952427 0.204963729 Homoserine 0.000284256 0.000247085 N.D. 0.000284074 0.000353715 0.000259071 0.000250265 0.000345493 0.000330423 0.000291846 0.00029901 0.000329058 0.000362244 0.000250915 0.000258512 N.D. 0.000361103 0.000326652 Threonine 0.053594371 0.05272721 0.04373458 0.038342946 0.053700508 0.037964227 0.043601033 0.045855711 0.070891801 0.036464678 0.052799186 0.043088057 0.045186604 0.04149538 0.049643623 0.044436684 0.048342306 0.025503124 Niacinamide 0.045872294 0.036661067 0.033645255 0.039842575 0.04959194 0.024922282 0.065132091 0.035557981 0.054536842 0.027598129 0.044022009 0.04712144 0.042322717 0.037395078 0.047749879 0.024622921 0.068731949 0.035764927 Taurine 0.249110255 0.137163716 0.147525383 0.142344381 0.206307314 0.132820391 0.197065334 0.153182632 0.182996674 0.157195936 0.201958448 0.25929474 0.256607436 0.10647445 0.18472234 0.119128015 0.159917573 0.187591082 129.065498333333_8.81926302777778 0.069622757 0.093336427 0.07233038 0.057933308 0.087507012 0.060310375 0.058732837 0.088167668 0.047703612 0.087573124 0.075181142 0.07403004 0.079812469 0.062911483 0.063955218 0.071742555 0.064597915 0.059759211 N-Methyl-proline N.D. N.D. N.D. 0.002088518 N.D. N.D. N.D. N.D. N.D. N.D. N.D. N.D. N.D. N.D. N.D. N.D. N.D. N.D. Pipecolic acid 0.001982144 0.000477028 0.002572868 0.000855926 0.000627021 0.000913872 0.001533954 0.004022064 0.000394134 0.003679305 0.000387046 0.00204808 0.001573185 0.000431332 0.003917146 0.00118445 0.000493906 N.D. Hydroxyproline 0.008300786 0.00779903 0.007450187 0.008522218 0.006973786 0.007497184 0.007976111 0.006473823 0.007484976 0.00738807 0.006560389 0.007155852 0.008150903 0.005026263 0.007679265 0.00779126 0.006572972 0.007227561 3-Guanidinopropanoic acid 0.00105247 0.001251825 0.001497123 0.000941481 0.001260884 0.001196259 0.001383795 0.001268799 0.0005912 0.002205148 0.001117314 0.001227753 0.001295687 0.001373969 0.000794865 0.001858815 0.000838222 0.00084552 Isoleucine 0.04135649 0.041347864 0.030412603 0.036581465 0.043771684 0.036170486 0.029519588 0.030951698 0.039458069 0.029448584 0.032933416 0.032222402 0.035403111 0.034175632 0.028817679 0.031713548 0.033600123 0.023664551 Leucine 0.063337682 0.059772312 0.047778313 0.054871087 0.066048879 0.057198287 0.046122875 0.046677804 0.060800637 0.04436181 0.051296766 0.045691871 0.05463361 0.050656437 0.044182651 0.046447623 0.05317691 0.036388571 Gly-Gly 0.001061817 0.000701752 0.000727722 0.00100037 0.000778857 0.000650591 0.000785041 0.00089085 0.000586847 0.000745524 0.000556136 0.000648425 0.000589893 0.000911557 0.000551654 0.000553606 0.000608056 0.000640977 Asparagine 0.048387684 0.042997709 0.032788327 0.030288135 0.033516518 0.027547964 0.037163769 0.033078036 0.040355158 0.021161407 0.027775002 0.028177222 0.029493799 0.020124761 0.023851988 0.022719018 0.022385409 0.020821754 Creatine 0.162301694 0.126847248 0.155222729 0.170944369 0.175768502 0.166165063 0.142486141 0.19934839 0.154241942 0.164799651 0.164668633 0.137172096 0.16063731 0.212557745 0.152254081 0.153269666 0.19660647 0.181843085 Ornithine 0.016706946 0.008190714 0.025229357 0.030149246 0.004171013 0.012829831 0.03967131 0.007184026 0.005082977 0.004405189 0.004166367 0.003923837 0.004584546 0.004431192 0.004274714 0.003910529 0.003163383 0.004479909 Aspartic acid 0.010964465 0.013972811 0.011578529 0.008784441 0.009034486 0.00918503 0.010834023 0.011179612 0.017172113 0.009917666 0.013036233 0.010828156 0.01617552 0.01400842 0.00763014 0.013467682 0.018362541 0.012868856 Methylcysteine 0.000358613 0.000391312 0.000320098 0.000407037 0.000356281 0.000321248 0.000307468 0.000291683 0.000400465 0.000328769 0.000298623 0.000377511 0.000483546 0.000367655 0.000356763 0.000398738 0.000423774 0.000367483 Adenine 0.000299977 0.000277645 0.00041596 0.000252222 0.000337034 0.0002717 0.000312737 0.000214812 0.000217248 0.000242747 0.000236571 0.000316418 0.000241773 0.000281616 0.00019167 0.000365803 0.000389827 0.000395603 Hypoxanthine 0.000933923 0.002128736 0.001011142 0.000799259 0.001160801 0.002342323 0.001276915 0.00131236 0.000713081 0.000914033 0.00134225 0.0014835 0.001051006 0.001323938 0.004476853 0.001016251 0.001355629 0.000837431 Urocanic acid N.D. N.D. N.D. N.D. N.D. N.D. 0.000375586 N.D. N.D. N.D. N.D. 0.000339591 N.D. N.D. N.D. N.D. 0.000211514 N.D. Methylimidazoleacetic acid 0.000482683 0.000469201 0.000506821 0.000417778 0.000647551 0.000318657 0.000454993 0.000695256 0.00019034 0.001893269 0.000652316 0.001006134 0.000667991 0.000788374 0.000472731 0.000846484 0.000348047 0.000345527 Ectoine 0.002671752 0.001979665 0.001828474 0.002167777 0.002078235 0.001760062 0.002534261 0.004237303 0.002291594 0.004187581 0.001692453 0.002568843 0.002057977 0.001512313 0.002023 0.007396835 0.001228422 0.001260384 Stachydrine 0.050953636 0.04874552 0.046755918 0.037545169 0.048796403 0.082770513 0.059038424 0.04726843 0.059436999 0.037744402 0.040740651 0.055815143 0.04828811 0.05193565 0.05461777 0.046295499 0.055061883 0.05323272 144.1012575_12.540687125 0.00059613 N.D. N.D. 0.003544072 N.D. N.D. N.D. N.D. N.D. 0.001408561 N.D. N.D. N.D. N.D. N.D. 0.001781576 N.D. N.D. 3-Dehydroxycarnitine 0.051650467 0.061778065 0.060707254 0.053389236 0.057580251 0.056314856 0.068809668 0.064302626 0.049716621 0.047434248 0.05408559 0.051445961 0.051923427 0.063497836 0.061656392 0.059100186 0.063141192 0.05596689 Spermidine 0.001451023 0.002508122 0.001205784 0.001578888 0.002211253 0.002403205 0.001510998 0.002366347 0.001462568 0.001550752 0.003137864 0.001431255 0.001415742 0.002064933 0.00139202 0.001468311 0.001620487 0.001879019 Glutamine 0.772045319 0.669307835 0.806369116 0.81419149 0.821299043 0.664866211 0.818338657 0.605583656 0.839524605 0.572973157 0.873665334 0.890557296 0.883129875 0.460025674 0.771486472 0.457924699 0.688666911 0.755706705 Lysine 0.025073166 0.022155327 0.021281487 0.021128139 0.017716968 0.020463027 0.024314455 0.014723367 0.027503872 0.018167528 0.022511876 0.021288071 0.026111887 0.010649113 0.023889838 0.0140009 0.013768548 0.013808366 Isoglutamic acid N.D. N.D. N.D. 0.005364812 0.000430275 0.000363994 N.D. N.D. 0.000367621 N.D. N.D. N.D. N.D. N.D. N.D. 0.000594774 0.00097177 0.000958385 148.0602575_12.64573625 N.D. N.D. N.D. N.D. N.D. N.D. 0.000278114 0.000228051 N.D. N.D. 0.00026527 N.D. N.D. N.D. 0.000512595 N.D. N.D. N.D. Glutamic acid 0.14615986 0.183771929 0.161829326 0.171513257 0.263822981 0.076486428 0.185311164 0.136839849 0.149434383 0.117407039 0.201424806 0.173029725 0.159560548 0.153583584 0.089531829 0.13388483 0.172323778 0.127101526 Methionine 0.009078772 0.01023038 0.005524184 0.00642259 0.008814644 0.008220962 0.008012616 0.008736821 0.009654689 0.006267821 0.0064836 0.006132023 0.006224198 0.006925941 0.006501464 0.006801277 0.006397643 0.004373208 Histidine 0.035474217 0.034549474 0.031037794 0.040521834 0.027301059 0.023974407 0.036026099 0.029486877 0.03183024 0.026130256 0.027987141 0.025769327 0.035406849 0.022036568 0.024214791 0.021532216 0.023594806 0.02081405 N(6)-Methyllysine 0.00041215 0.000513177 0.000545166 0.000545926 0.000398197 0.000481548 0.00059612 0.000392042 0.000495437 0.000418326 0.000468488 0.000455457 0.000486038 0.000293366 0.000503737 0.000309345 0.000325664 0.000450687 162.075425_11.2069172777778 0.017733072 0.013970575 0.013677919 0.018265177 0.016190048 0.010961283 0.009500657 0.012422787 0.014960454 0.011380826 0.018565404 0.012319661 0.011383681 0.014198312 0.00990843 0.00804493 0.016354838 0.011542218 Carnitine 0.253540655 0.26776793 0.17093085 0.302645051 0.340603066 0.195315379 0.211298443 0.223089157 0.241648175 0.182001297 0.422268999 0.375838566 0.321268804 0.30473799 0.324684604 0.292514123 0.499947261 0.309438826 Phenylalanine 0.021786164 0.021619416 0.017205244 0.022455175 0.020713921 0.021169966 0.019048356 0.018291464 0.018039523 0.017634113 0.016740704 0.016252768 0.018048637 0.017576191 0.017863119 0.015290425 0.020566091 0.015338006 3-Methylhistidine 0.010965314 0.012446695 0.011270935 0.009709996 0.009893752 0.012976854 0.011655193 0.010888783 0.011308387 0.009736981 0.007690889 0.008739628 0.009289562 0.008690686 0.007834292 0.009169002 0.007153796 0.008655893 174.086586666667_12.4475416666667 N.D. 0.000292925 N.D. N.D. N.D. N.D. 0.000785794 N.D. 0.000336359 N.D. N.D. N.D. N.D. N.D. N.D. N.D. N.D. N.D. N(5)-Ethyl-glutamine 0.000641594 0.000677901 0.000838589 0.000594074 0.000805803 0.000876955 0.0007523 0.000612406 0.000643831 0.000778126 0.000583284 0.000753758 0.000630604 0.000494629 0.000792449 0.000708867 0.000573736 0.000691824 Arginine 0.0524412 0.043989777 0.064696386 0.058143308 0.042793087 0.053219284 0.078584675 0.052206113 0.064697652 0.036898716 0.054324876 0.045456769 0.055124217 0.031894274 0.049811938 0.03543941 0.039318086 0.049698869 Citrulline 0.029071446 0.028266126 0.030931928 0.018591473 0.059285097 0.03678837 0.037512258 0.042421711 0.07566612 0.022960405 0.065622117 0.033144692 0.031392256 0.030171223 0.037835409 0.029814742 0.048219203 0.078160736 Glucosamine 0.000334819 0.001008466 N.D. 0.000853703 0.000319926 0.000789194 0.000878373 0.001167586 N.D. 0.000207788 0.000704672 0.000422172 N.D. 0.000305116 0.001188271 0.000568897 N.D. N.D. Theobromine 0.004625003 0.004258963 0.006937531 0.00490222 0.002913122 0.004731603 0.008830022 0.002789565 0.002959959 0.002726779 0.003129332 0.003541271 0.002586804 0.00317927 0.002914907 0.004596263 0.004579444 0.002812366 Tyrosine 0.014041993 0.014960408 0.011705651 0.016438882 0.015468076 0.012015377 0.013483443 0.010502292 0.010342048 0.012728896 0.011392257 0.012609536 0.013533466 0.010287143 0.010200766 0.012235791 0.01051489 0.00900219 Choline phosphate 0.003194375 0.003225154 0.003150544 0.003389258 0.003792491 0.003175236 0.002637754 0.003027438 0.002765662 0.002934174 0.004973035 0.004003469 0.004648104 0.003135303 0.002701494 0.002430456 0.004465667 0.00419794 N(2)-Acetyllysine N.D. 0.000609701 N.D. N.D. N.D. 0.000665812 N.D. 0.000594042 N.D. N.D. N.D. N.D. N.D. N.D. N.D. N.D. 0.000571125 N.D. N-6-Trimethyllysine 0.003077528 0.002985895 0.003820331 0.003979257 0.003580348 0.002496147 0.004128806 0.003475425 0.004312122 0.004398905 0.003713003 0.003521047 0.004494815 0.0026149 0.003673935 0.002629236 0.003566266 0.003098186 Gly-Asp 0.00123815 0.001137413 0.000966545 0.001025555 0.001029067 0.000880193 0.000928803 0.000891704 0.000835753 0.000708994 0.000758191 0.000883106 0.000912256 0.000860768 0.000768692 0.000782576 0.00081957 0.000823949 Dimethylarginine 0.000383682 0.00038833 0.000306343 0.000449259 0.000320781 0.000410951 0.000431284 0.000210541 0.000339525 0.000218394 0.000285824 0.000235523 0.000143319 0.000181553 0.000247238 N.D. 0.000202188 0.000195683 Symmetric dimethyl-arginine 0.000350115 0.000333174 0.000372197 0.000641111 0.000210433 0.000392168 0.000373327 0.000282715 0.000257216 0.000219965 0.000250145 0.00021572 0.000231387 0.000156538 0.000242003 0.000188979 0.000191743 0.000224958 Spermine 0.000647968 0.001117288 0.000619355 0.000616666 0.000869959 0.000678442 0.000806869 0.001250009 0.000407192 0.000507883 0.001102577 0.000376247 0.000410848 0.000856978 0.000353139 0.000709259 0.0005853 0.000578189 CAR 2:0 0.13962877 0.108559572 0.121085657 0.140381419 0.144692916 0.188574034 0.119531395 0.13913573 0.084085777 0.111353292 0.137841854 0.168280083 0.119216879 0.143930172 0.267564257 0.12326124 0.168582182 0.124626598 Tryptophan 0.004789863 0.004129271 0.003711548 0.004774072 0.004179567 0.005181415 0.004124666 0.004419658 0.004160166 0.004055995 0.003844863 0.003781007 0.003858812 0.004104093 0.004666509 0.003582364 0.004362335 0.003771906 205.117535555556_9.357331 0.00086424 0.000774425 0.000801494 0.00080037 0.000876802 0.000734142 0.000642033 0.000693975 0.000721787 0.000708994 0.000892765 0.000745752 0.000609002 0.000616296 0.000739297 0.000538315 0.000609548 0.00058859 Kynurenine 0.000480983 0.00049678 0.000421795 0.000538518 0.000526937 0.000488348 0.0004851 0.000419801 0.000407984 0.000428146 0.000502229 0.000442817 0.00035352 0.000483258 0.000444142 0.000413244 0.000302536 0.000255004 218.137934444444_9.45967788888889 0.00313404 0.00305894 0.002060211 0.002442962 0.001639407 0.003115326 0.002991512 0.002439801 0.002421784 0.00092071 0.002898578 0.00177843 0.001933768 0.002088812 0.003040137 0.00185411 0.00396542 0.00279118 Cystathionine 0.00059868 0.00042448 0.000300925 N.D. 0.000668508 0.000441392 0.000401553 0.000497099 0.000607425 0.000614723 0.000729492 0.000755022 0.000563306 0.000534048 0.000813388 0.00055439 0.00061104 0.000614398 Carnosine 0.17014529 0.236970576 0.317147917 0.122793279 0.306149438 0.308623856 0.190371407 0.339300234 0.265386015 0.293248927 0.26869594 0.193706027 0.231278195 0.401615503 0.244995167 0.371889541 0.281692883 0.30498357 CAR 4:0 0.00238962 0.002230104 0.002097306 0.001054444 0.002458896 0.00204504 0.001774434 0.001336702 0.002443549 0.001918408 0.003210387 0.004976317 0.003759942 0.002662657 0.005074814 0.002759012 0.002460201 0.002219154 CAR 4:0(2) 0.001104732 0.000918651 0.000846508 0.00038 0.000243794 0.000463413 0.001368366 0.001098829 0.001525487 0.000364906 0.001486132 0.000200131 0.000729888 0.001089321 0.000316899 0.000547725 0.000384978 0.000268101 Anserine 0.84119559 0.821509849 1.007252012 0.844621476 0.982547699 0.753846326 0.799946635 1.021831803 0.762012468 0.934450083 0.79010492 0.715634539 0.882335598 1.0755854 0.873465548 1.011575404 1.055140688 0.849009764 Cytidine 0.000458039 0.000537774 0.000349273 0.000535926 0.000449522 0.000450459 0.000588217 0.00065682 0.000447951 0.000481959 0.000556524 0.000492534 0.000408771 0.000386227 0.000592726 0.000457156 0.000600595 0.00030431 Uridine 0.00049373 0.000681628 0.000645613 0.000591481 0.000635147 0.000842951 0.00085918 0.000686715 0.000559543 0.000573087 0.00069071 0.000597866 0.000477314 0.000613643 0.000709902 0.000571641 0.000755407 0.000580886 Pyridoxamine 5'-phosphate 0.000330145 0.000282863 0.000324265 0.000258148 0.000407606 0.000388282 0.000370317 0.000333108 0.000438849 0.000263958 0.000261392 0.000436497 0.000605678 0.000421856 0.000251667 0.000286997 0.000329022 0.000338593 Dyphylline 0.003818548 0.004280578 0.005056541 0.004024072 0.002761286 0.005009457 0.003317421 0.005274635 0.002077907 0.0039358 0.003903424 0.002426013 0.003301737 0.004574843 0.004839254 0.003536492 0.00336184 0.003931765 sn-Glycero-3-phosphocholine 0.062352771 0.04605404 0.059742376 0.166365111 0.01274058 0.040922167 0.120339017 0.019968107 0.018078304 0.03398261 0.015113793 0.017590487 0.014481863 0.012062879 0.01770769 0.026904782 0.020725379 0.018158847 Adenosine N.D. 0.000154661 N.D. N.D. N.D. N.D. N.D. N.D. N.D. N.D. N.D. N.D. N.D. N.D. N.D. 0.000180745 0.000348047 N.D. Inosine 0.002783075 0.005126929 0.001915167 0.002261851 0.003328427 0.004366637 0.005025243 0.003194419 0.001561893 0.00257516 0.003123127 0.003499138 0.002086641 0.002336316 0.012293025 0.002042696 0.00348084 0.001714923 Saccharopine 0.000842146 0.000474419 0.000527661 0.000626666 0.000711707 0.00027753 0.000643538 0.000518025 0.000838523 0.000495314 0.000746556 0.00063705 0.000660098 0.000678456 0.000364816 0.00042383 0.000572617 0.000541595 Guanosine 0.000136817 0.000275782 7.75297E-05 0.000102593 0.000134728 0.000244498 0.000216771 0.000207125 0.000123068 0.000143763 0.000136901 0.000161369 7.77088E-05 9.81677E-05 0.000201736 0.000152124 0.000208903 8.00887E-05 CAR 8:0 0.000341192 0.000276527 0.000195059 N.D. 0.000427708 9.03509E-05 0.000249136 0.000130254 0.000341899 0.000446214 0.000570873 0.000734798 0.00074152 0.000686795 0.000313275 0.00042579 0.000565529 0.000288902 Argininosuccinic acid 0.000629272 0.000908589 0.000820667 0.000717777 0.000275444 0.000767821 0.000860685 0.000590626 0.000522346 0.00021368 0.000665502 0.000296616 0.000356013 0.000327857 0.000478771 0.00026308 0.000262247 0.000345912 Oxidized glutathione 0.026703071 0.02329982 0.040520684 0.030745912 0.037348786 0.024115277 0.024218865 0.015993447 0.033199814 0.031818312 0.016475046 0.036955613 0.040214474 0.023990447 0.042290921 0.027167862 0.058003307 0.023911851 Glutathione 0.033180199 0.063669778 0.035743395 0.07673404 0.062700349 0.075043404 0.082230263 0.061657835 0.036641756 0.053180045 0.076366713 0.058509964 0.066570211 0.072886309 0.068899568 0.052378107 0.067464731 0.065895878 S-Lactoylglutathione 0.035385414 0.003963056 0.000891939 0.001849999 0.001549588 0.001293087 0.005286422 0.00479718 0.020038287 0.00954844 0.003256925 0.001267358 0.00100074 0.003888048 0.002604451 0.005343553 0.0011374 0.024642195 S-Adenosylmethionine 0.001179089 0.001106108 0.00117119 0.00149074 0.001112042 0.001045998 0.001177938 0.001263247 0.000985334 0.001050332 0.001110721 0.00094799 0.000979969 0.001173464 0.001078745 0.000988806 0.001137027 0.001023099 MS_METABOLITE_DATA_END #METABOLITES METABOLITES_START metabolite_name m/z MT HMDB id Urea 61.040131 22.37162789 HMDB00294 Ethanolamine 62.06041461 6.369714039 HMDB00149 Glycine 76.03966778 8.40949775 HMDB00123 Trimethylamine N-oxide 76.07602861 6.624654622 HMDB00925 Putrescine 89.10710144 4.68177595 HMDB01414 Sarcosine 90.05474767 9.631124667 HMDB00271 beta-Alanine 90.05490361 7.386015478 HMDB00056 Alanine 90.05502761 9.157001194 HMDB00161,HMDB01310 Glycerol 93.05467478 23.40844039 HMDB00131 Homoserine lactone 102.054898 7.1659925 No ID gamma-Aminobutyric acid 104.0704822 7.760928856 HMDB00112 Dimethylglycine 104.07026 11.173572 HMDB00092 2-Aminobutyric acid 104.0705871 9.804497639 HMDB00452 Choline 104.1068616 6.757446122 HMDB00097 Serine 106.0497114 10.17392208 HMDB00187,HMDB03406 Hypotaurine 110.0268692 18.930374 HMDB00965 Creatinine 114.0660971 7.339640822 HMDB00562 Proline 116.0704891 11.03893997 HMDB00162,HMDB03411 Guanidoacetic acid 118.0623765 8.328615 HMDB00128 Valine 118.0861145 10.20471356 HMDB00883 Betaine 118.0861276 11.52142839 HMDB00043 Homoserine 120.065192 10.271114 HMDB00719 Threonine 120.0653274 10.73210364 HMDB00167 Niacinamide 123.0549975 7.456225956 HMDB01406 Taurine 126.0217367 23.39518761 HMDB00251 129.065498333333_8.81926302777778 129.0654983 8.819263028 No ID N-Methyl-proline 130.08571 12.785352 No ID Pipecolic acid 130.0860853 10.47447412 HMDB00070,HMDB00716,HMDB05960 Hydroxyproline 132.0667 12.332055 HMDB00725 3-Guanidinopropanoic acid 132.0761422 8.092698722 No ID Isoleucine 132.1002428 10.40772542 HMDB00172 Leucine 132.1005589 10.52088214 HMDB00687 Gly-Gly 133.0598728 8.472235889 HMDB11733 Asparagine 133.0604294 10.69817569 HMDB00168 Creatine 133.0788872 8.850053889 HMDB00064 Ornithine 133.0966983 6.756824378 HMDB00214,HMDB03374 Aspartic acid 134.0445961 11.8360265 HMDB00191,HMDB06483 Methylcysteine 136.0437061 11.83924803 HMDB02108 Adenine 136.0611317 7.685665272 HMDB00034 Hypoxanthine 137.0452506 11.39246731 HMDB00157 Urocanic acid 139.0503167 8.376957667 HMDB00301 Methylimidazoleacetic acid 141.0652128 8.343607917 HMDB02820 Ectoine 143.0809633 9.585247444 No ID Stachydrine 144.1012128 11.77438983 HMDB04827 144.1012575_12.540687125 144.1012575 12.54068713 No ID 3-Dehydroxycarnitine 146.1170778 8.183025472 HMDB01161 Spermidine 146.1644322 4.494368244 HMDB01257 Glutamine 147.0763756 10.96725178 HMDB00641,HMDB03423 Lysine 147.112305 6.892794256 HMDB00182,HMDB03405 Isoglutamic acid 148.05982 9.278497643 No ID 148.0602575_12.64573625 148.0602575 12.64573625 No ID Glutamic acid 148.0603161 11.18675197 HMDB00148,HMDB03339 Methionine 150.0582061 10.93645403 HMDB00696 Histidine 156.0763811 7.350911172 HMDB00177 N(6)-Methyllysine 161.1280389 7.141583422 HMDB02038 162.075425_11.2069172777778 162.075425 11.20691728 HMDB00510 Carnitine 162.1123144 8.599639 HMDB00062 Phenylalanine 166.0858711 11.33521472 HMDB00159 3-Methylhistidine 170.0917761 7.563442394 HMDB00479 174.086586666667_12.4475416666667 174.0865867 12.44754167 No ID N(5)-Ethyl-glutamine 175.1067694 11.63153608 No ID Arginine 175.1183189 7.157861011 HMDB00517,HMDB03416 Citrulline 176.1023439 11.30122389 HMDB00904 Glucosamine 180.0861592 9.4273195 HMDB01514 Theobromine 181.0711289 23.44841661 HMDB02825 Tyrosine 182.0807928 11.61705547 HMDB00158 Choline phosphate 184.072865 21.67206583 HMDB01565 N(2)-Acetyllysine 189.121805 9.958521875 HMDB00446 N-6-Trimethyllysine 189.1588206 7.228669561 HMDB01325 Gly-Asp 191.0655117 10.05516906 No ID Dimethylarginine 203.1475412 7.732514759 HMDB01539 Symmetric dimethyl-arginine 203.1490311 7.873187311 HMDB03334 Spermine 203.2217644 4.431222406 HMDB01256 CAR 2:0 204.1221867 9.128741833 HMDB00201 Tryptophan 205.0963161 11.2603755 HMDB00929 205.117535555556_9.357331 205.1175356 9.357331 No ID Kynurenine 209.0915594 10.08914725 HMDB00684 218.137934444444_9.45967788888889 218.1379344 9.459677889 No ID Cystathionine 223.0745229 10.08660438 HMDB00099 Carnosine 227.1132689 6.718596289 HMDB00033 CAR 4:0 232.1534278 9.748572194 HMDB02013 CAR 4:0(2) 232.1535728 9.659406722 HMDB00736 Anserine 241.1289544 6.767483472 HMDB00194 Cytidine 244.0928544 9.837173917 HMDB00089 Uridine 245.0763433 23.4626965 HMDB00296 Pyridoxamine 5'-phosphate 249.0625528 10.67615222 HMDB01555 Dyphylline 255.1087778 23.4975625 No ID sn-Glycero-3-phosphocholine 258.10904 22.93256628 HMDB00086 Adenosine 268.1013667 10.04191667 HMDB00050 Inosine 269.0870206 20.5429585 HMDB00195 Saccharopine 277.1384378 10.94906258 HMDB00279 Guanosine 284.0986517 12.88002072 HMDB00133 CAR 8:0 288.2154053 10.73806835 HMDB00791 Argininosuccinic acid 291.128855 9.575225944 HMDB00052 Oxidized glutathione 307.08237 12.48820306 HMDB03337 Glutathione 308.0900878 13.61275361 HMDB00125 S-Lactoylglutathione 380.11135 14.19408589 HMDB01066 S-Adenosylmethionine 399.1437283 7.156619906 HMDB01185 METABOLITES_END #END