#METABOLOMICS WORKBENCH kameiyasutomi_20190506_194029 DATATRACK_ID:1719 STUDY_ID:ST001179 ANALYSIS_ID:AN001956 PROJECT_ID:PR000791 VERSION 1 CREATED_ON May 7, 2019, 12:25 pm #PROJECT PR:PROJECT_TITLE Metabolomic analysis of skeletal muscle in young and aged mice PR:PROJECT_SUMMARY To better understand the metabolic changes in skeletal muscle during aging, we PR:PROJECT_SUMMARY performed a metabolomic analysis of skeletal muscle in young (8-week-old) and PR:PROJECT_SUMMARY aged (28-month-old) mice using CE-TOFMS. PR:INSTITUTE Kyoto Prefectural University PR:LAST_NAME Kamei PR:FIRST_NAME Yasutomi PR:ADDRESS 1-5 Hangi-cho, Shimogamo, Sakyo-ku Kyoto, Kyoto, Kyoto, 606-8522, Japan PR:EMAIL ran960116@yahoo.co.jp PR:PHONE +81-75-703-5661 #STUDY ST:STUDY_TITLE Metabolomic analysis of skeletal muscle in young and aged mice ST:STUDY_SUMMARY Sarcopenia is the age-induced, progressive loss of skeletal muscle mass and ST:STUDY_SUMMARY function, which results in poor muscle performance. To better understand changes ST:STUDY_SUMMARY in skeletal muscles during sarcopenia, we performed a metabolomic analysis of ST:STUDY_SUMMARY skeletal muscle in young (8-week-old) and aged (28-month-old) mice using ST:STUDY_SUMMARY CE-TOFMS. Our data shows that the metabolites including glucose and polyamine ST:STUDY_SUMMARY metabolism were decreased in aged mice compared with young mice. In addition, ST:STUDY_SUMMARY neurotransmitter levels were higher in aged mice. ST:INSTITUTE Kyoto Prefectural University ST:LAST_NAME Kamei ST:FIRST_NAME Yasutomi ST:ADDRESS 1-5 Hangi-cho, Shimogamo, Sakyo-ku Kyoto, Kyoto, Kyoto, 606-8522, Japan ST:EMAIL ran960116@yahoo.co.jp ST:PHONE +81-75-703-5661 #SUBJECT SU:SUBJECT_TYPE Mammal SU:SUBJECT_SPECIES Mus musculus SU:TAXONOMY_ID 10090 SU:GENOTYPE_STRAIN wild type SU:AGE_OR_AGE_RANGE 8-week-old and 28-month-old SU:WEIGHT_OR_WEIGHT_RANGE 25.4 ± 0.2 g for young and 32.0 ± 0.2 g for aged SU:GENDER Male SU:ANIMAL_ANIMAL_SUPPLIER Shimizu Laboratory Supplies (Kyoto, Japan) SU:ANIMAL_LIGHT_CYCLE 12-h light-dark cycle SU:ANIMAL_FEED CE2 SU:SPECIES_GROUP C57BL/6J #SUBJECT_SAMPLE_FACTORS: SUBJECT(optional)[tab]SAMPLE[tab]FACTORS(NAME:VALUE pairs separated by |)[tab]Additional sample data SUBJECT_SAMPLE_FACTORS - Young-1 Age:8w SUBJECT_SAMPLE_FACTORS - Young-2 Age:8w SUBJECT_SAMPLE_FACTORS - Young-3 Age:8w SUBJECT_SAMPLE_FACTORS - Young-4 Age:8w SUBJECT_SAMPLE_FACTORS - Young-5 Age:8w SUBJECT_SAMPLE_FACTORS - Old-1 Age:28m SUBJECT_SAMPLE_FACTORS - Old-2 Age:28m SUBJECT_SAMPLE_FACTORS - Old-3 Age:28m SUBJECT_SAMPLE_FACTORS - Old-4 Age:28m SUBJECT_SAMPLE_FACTORS - Old-5 Age:28m #COLLECTION CO:COLLECTION_SUMMARY Gastrocnemius muscles were collected and flash-frozen in liquid N2. CO:SAMPLE_TYPE Muscle CO:STORAGE_CONDITIONS -80℃ #TREATMENT TR:TREATMENT_SUMMARY No specific treatment to mention. #SAMPLEPREP SP:SAMPLEPREP_SUMMARY Gastrocnemius muscles of 8-week-old male mice (N=5, young group) and SP:SAMPLEPREP_SUMMARY 28-month-old male mice (N=5, aged group) were used for the metabolomic analysis SP:SAMPLEPREP_SUMMARY (Human Metabolome Technologies Inc., Tsuruoka, Japan). Frozen muscle specimens SP:SAMPLEPREP_SUMMARY were transferred into 500 μL of methanol containing 50 mM external standard. SP:SAMPLEPREP_SUMMARY After homogenization by BMSM10N21 (BMS, Tokyo) at 1,500 rpm for 120 s performed SP:SAMPLEPREP_SUMMARY 5 times, 500 μL of chloroform and 200 μL of ultrapure water were added to the SP:SAMPLEPREP_SUMMARY homogenate. The solution was mixed well and centrifuged at 2,300 × g for 5 min SP:SAMPLEPREP_SUMMARY at 4 °C. The resultant water phase was ultrafiltered using a Millipore SP:SAMPLEPREP_SUMMARY Ultrafree-MC PLHCC HMT Centrifugal Filter Device, 5 kDa (Millipore, Billerica, SP:SAMPLEPREP_SUMMARY MA). The filtrate was dried and then dissolved in 50 μL of ultrapure water. The SP:SAMPLEPREP_SUMMARY samples obtained were then subjected to CE-TOFMS analysis using the Agilent SP:SAMPLEPREP_SUMMARY CE-TOFMS system (Agilent Technologies, Santa Clara, CA) at 4 °C. The detected SP:SAMPLEPREP_SUMMARY peaks were aligned according to their m/z values and normalized migration times. SP:SAMPLEPREP_SUMMARY The peaks were mean-centered and scaled using their standard deviations on a per SP:SAMPLEPREP_SUMMARY peak basis as a pretreatment. #CHROMATOGRAPHY CH:CHROMATOGRAPHY_TYPE None (Direct infusion) CH:INSTRUMENT_NAME none CH:COLUMN_NAME none #ANALYSIS AN:ANALYSIS_TYPE MS #MS MS:INSTRUMENT_NAME Agilent CE-TOFMS MS:INSTRUMENT_TYPE Other MS:MS_TYPE ESI MS:ION_MODE POSITIVE MS:MS_COMMENTS - #MS_METABOLITE_DATA MS_METABOLITE_DATA:UNITS fold MS_METABOLITE_DATA_START Samples Young-1 Young-2 Young-3 Young-4 Young-5 Old-1 Old-2 Old-3 Old-4 Old-5 Factors Age:8w Age:8w Age:8w Age:8w Age:8w Age:28m Age:28m Age:28m Age:28m Age:28m Urea 0.287599621 0.26409923 0.234294622 0.229508387 0.218531955 0.296106109 0.339586387 0.259119785 0.162260456 0.387001955 Ethanolamine 0.00126733 0.001204896 0.001446817 0.001318349 0.001368862 0.000804128 0.000992207 0.001161391 0.0024915 0.000895842 XC0001 0.000068556 5.92795E-05 3.97936E-05 0 4.00711E-05 0 0 0 0 0 Gly 0.123926184 0.11469103 0.140758486 0.108449177 0.116073671 0.08372462 0.102114987 0.102054807 0.086934674 0.062390029 Trimethylamine N-oxide 0.000559534 0.000494186 0.000525544 0.000555851 0.000551867 0.000722767 0.000713368 0.000597128 0.000306451 0.000860187 4-Methylpyrazole 0 0 0.000157837 0 0.000107863 0 0.000105495 0 0.000133874 0.000138861 Putrescine 0.000133162 0.000166755 0.00020278 0.000263165 0.000284794 0.000226209 0.000180567 0.000278973 0.000208322 0.000294031 β-Ala 0.006086193 0.00784155 0.007757955 0.00626067 0.006846053 0.005404896 0.004890269 0.004558951 0.0028018 0.004537008 Sarcosine 0.001418268 0.00122356 0.00141438 0.001519364 0.001326978 0.001091984 0.00092071 0.000998866 0.000652865 0.001031825 Ala 0.101164254 0.122208009 0.142220886 0.125909341 0.125992648 0.093919565 0.112475018 0.107963 0.094684026 0.104630175 Glycerol 0.08445494 0.06144942 0.080058329 0.053967898 0.051787319 0.047820813 0.080659963 0.07566278 0.058109663 0.077650437 1-Aminocyclopropane-1-carboxylic acid Homoserinelactone 0.000110097 0.000125209 0.000100387 8.97285E-05 0 0.000129326 0.00012833 8.42269E-05 0.000146824 0.000130707 2-Aminoisobutyric acid 2-Aminobutyric acid 0.001039044 0.001458461 0.001379335 0.000751946 0.001039366 0.00077919 0.000890652 0.000795935 0.000716953 0.001234321 GABA 0.000431215 0 0 0 0 0.000530397 0 0 0.000469779 0.00056192 N,N-Dimethylglycine 0.00070684 0 0 0 0 0.000808174 0 0 0 0 Choline 0.009525971 0.011429352 0.0109684 0.009031119 0.009386239 0.008048935 0.006884241 0.010232444 0.016837883 0.005868219 Ser 0.014789619 0.017794064 0.022915255 0.019263993 0.018709116 0.016991599 0.019350961 0.01717456 0.023835869 0.01717984 Diethanolamine 0.000157118 0.000222387 0.000313935 0.000171235 0.000159009 0.000702684 0.000754661 0.000383564 0.000362917 0.000304983 Hypotaurine 0.004155093 0.005103468 0.004426257 0.003625655 0.002887805 0.003532545 0.003975177 0.003579741 0.009307362 0.002578003 Histamine 0.000955005 0.001298857 0.000914451 0.000986496 0.000759942 0.002514345 0.002854493 0.002227341 0.003168342 0.002225614 Creatinine 0.004086664 0.003781229 0.004335902 0.003824922 0.003759369 0.003242482 0.003639431 0.003755348 0.00351002 0.004733428 Pro 0.024088132 0.033669376 0.035476136 0.026420912 0.028663332 0.024026674 0.028646631 0.024001129 0.026841328 0.02520804 Val 0.026417762 0.03816203 0.033494546 0.029692767 0.029840161 0.034111273 0.036628063 0.026485018 0.027756687 0.035040555 Betaine 0.010109525 0.013145596 0.011037487 0.008812625 0.008257066 0.009648143 0.011151462 0.010724917 0.016942155 0.00837907 Thr 0.016814888 0.025212363 0.027832144 0.023261768 0.020706296 0.023645171 0.023878491 0.01793402 0.018281779 0.022651062 Homoserine 0.00019643 0.000357893 0.000295877 0.000265884 0 0 0.000247541 0 0 0 Nicotinamide 0.01081095 0.012876872 0.010330966 0.013992926 0.013291394 0.011179231 0.013157034 0.010266792 0.010208881 0.011278205 Taurine 0.243772267 0.262383701 0.255182674 0.243106339 0.248392789 0.269103917 0.278780274 0.247790071 0.274935202 0.286509872 1-Methylhistamine 3.81008E-05 3.18922E-05 3.41757E-05 3.31465E-05 2.93318E-05 0.000188618 0.000200192 0.000117351 0.000167768 0.000151332 XC0016 0.00027913 0.000211089 0.00025488 0.000255267 0.000265865 0.000330597 0.000252867 0.000316995 0.000373795 0.00039244 Pipecolic acid 0.001399727 0.001370435 0.001374921 0.001477349 0.001329999 0.001368438 0.001930135 0.001277259 0.000863037 0.001748594 trans-Glutaconic acid 0.000678169 0 0 0 0 0.00063574 0.000742623 0 0.000516623 0.000885609 Hydroxyproline 0.029620461 0.032984409 0.030503535 0.030772617 0.025565036 0.009875824 0.013044973 0.009017243 0.009553056 0.009421208 Leu 0.020224848 0.031281107 0.025188642 0.023820532 0.021188022 0.028920963 0.029130551 0.023092226 0.025643718 0.031570147 Ile 0.012967661 0.018314994 0.014384433 0.013379911 0.011419127 0.017640139 0.015559927 0.015080228 0.014876549 0.016248583 6-Aminohexanoic acid 0.000165528 0.000417244 0.00032069 0.000222573 0.000267275 0 0 0 0 0 Asn 0.003513304 0.004317318 0.005524896 0.004601598 0.005040772 0.003788253 0.004347692 0.003695287 0.006189342 0.004400465 Gly-Gly 0.000205604 0.000172332 0.000203115 0.000158676 0.000262442 0.000178761 0.000149196 0.000272529 0.00028129 0.000263332 Creatine 0.074961909 0.07373407 0.065388317 0.077197944 0.073288459 0.071844103 0.070687112 0.065059339 0.069016108 0.070884377 Ornithine 0.001965442 0.003410321 0.003464254 0.002334302 0.002206865 0.001939883 0.002209704 0.00114528 0.001274427 0.002415639 Asp 0.005851981 0.0078221 0.00780029 0.007701765 0.00557512 0.005425421 0.010237172 0.007785287 0.005202422 0.005969747 S-Methylcysteine 0.000125962 0.000132717 0.000153022 0.000117372 0.000142967 0.000121822 0.000147299 0.000171289 8.93971E-05 0 Adenine 0.000424971 0.000392574 0.000386567 0.000327386 0.000350371 0.000452934 0.000307292 0.000317704 0.000412573 0.000353268 Hypoxanthine 0.000601267 0.000657151 0.00037493 0.000537271 0.000412592 0.000742629 0.000654784 0.000500399 0.000544227 0.000552726 1-Methylnicotinamide 0.00010328 0.000146804 9.61067E-05 0.000125788 0.000113703 7.83457E-05 5.29664E-05 9.32489E-05 6.06094E-05 0 Trigonelline 0.000474859 0.000428471 0.000448498 0.000524452 0.000321374 0.000402542 0.000559795 0.000344512 0.000293871 0.000654094 Urocanic acid 0.000326852 9.4461E-05 0 0.0001142 0.000128603 0 0.000266729 0.000184242 0.000285804 0 Stachydrine 0.002485728 0.001886646 0.001776201 0.00172038 0.001398663 0.002262535 0.002952838 0.002321621 0.002273409 0.002753798 4-Guanidinobutyric acid 0.000124114 0 0 0.000124817 0.000124979 0 0.000134896 0.000123859 0 0.000127749 Acetylcholine 0.000105637 0.000124494 0.000118244 9.43898E-05 0 0.000192885 0.000165757 0.000205444 0.000204178 0.000251421 γ-Butyrobetaine 0.003036215 0.002663643 0.002712322 0.002670363 0.002800347 0.002402307 0.003072633 0.002633654 0.004023091 0.002770026 Spermidine 0.000745515 0.001085908 0.000603927 0.000876634 0.000958082 0.000467426 0.000559941 0.000389622 0.000652273 0.000475981 Gln 0.103502485 0.111476495 0.12828388 0.106239046 0.113968964 0.130566443 0.135340071 0.13681359 0.163095519 0.127577985 Lys 0.033356381 0.045982343 0.048174723 0.042851787 0.035334871 0.038488701 0.038027148 0.018887711 0.034983198 0.030308886 threo-β-Methylaspartic acid 0 0 0 0.000472596 0 0 0 0 0 0 Glu 0.058472216 0.074330654 0.061790303 0.060153211 0.05571355 0.057547522 0.085588461 0.06166616 0.048693145 0.052871691 Met 0.004629633 0.006467969 0.007103801 0.004787594 0.005747084 0.006181071 0.006149497 0.004088325 0.005153875 0.005967269 Triethanolamine 6.18661E-05 0 0.00010246 0 0.000109407 7.09157E-05 0 9.78244E-05 0 0.000137102 His 0.009561396 0.010058345 0.011621216 0.010965656 0.009810308 0.011814751 0.01204744 0.01120579 0.017260225 0.012849565 N6-Methyllysine 0.001005276 0.001299572 0.001152946 0.001492368 0.001031781 0.000740201 0.000801718 0.000434152 0.000522692 0.000626514 O-Acetylhomoserine　2-Aminoadipic acid 0.000501491 0.000389357 0.000491702 0.000440486 0.00038185 0.000377972 0.000474582 0.000461734 0.000293353 0.000482776 Carnitine 0.02654812 0.029669764 0.027937079 0.029032233 0.02585238 0.018215704 0.028646047 0.021885339 0.028055072 0.026564514 5-Hydroxylysine 0.000129594 0.000181128 0.000163187 0.000201598 0.000132429 0.000180158 0.000233242 0 0.000103088 0.000187227 S-Methylmethionine 0 0 0 0 0 5.59087E-05 0 0 0 0 Methionine sulfoxide 0.000485945 0.000415385 0.000439001 0.000492536 0.00033802 0.000703861 0.000473852 0.000245721 0.000271817 0.000690948 Phe 0.011291925 0.01289861 0.011284609 0.010045647 0.011198098 0.012767405 0.015618146 0.011102423 0.017415486 0.017239078 Taurocyamine 0.000580942 0.000643708 0.000819415 0.000480689 0.00066604 0.00018391 0 0 0 0 1-Methylhistidine 3-Methylhistidine 0.001527856 0.001505369 0.001749783 0.00167202 0.001346712 0.001373588 0.001837189 0.001449 0.001249487 0.001842367 N5-Ethylglutamine 0.000695308 0.000780573 0.000853992 0.000612174 0.000779407 0.000677893 0.000746782 0.000558978 0.00058974 0.000542973 Arg 0.014760948 0.018598592 0.019430134 0.017103581 0.014700864 0.018663489 0.024447332 0.006968666 0.023159471 0.016602331 Diethylaminomalonic acid 0.000275753 0.000284027 0.00033333 0.000308741 0.000329026 0.000225547 0.000336986 0.000268018 0.000295721 0.000307061 Citrulline 0.009306541 0.010032388 0.009348965 0.007733292 0.007490211 0.007368247 0.010135836 0.006528972 0.011339888 0.007394732 Serotonin 2.42112E-05 0 3.05642E-05 2.50541E-05 0 0 5.63224E-05 4.18879E-05 3.88522E-05 4.23698E-05 Tyr 0.008856467 0.010866304 0.009004667 0.007010415 0.01190931 0.012013448 0.014779293 0.007836842 0.011827428 0.012615732 Phosphorylcholine 0.001716066 0.002216794 0.002081241 0.001838464 0.001442023 0.000897775 0.001388798 0.0010568 0.001274205 0.001407237 2-(Creatinine-3-yl)propionic acid 0 0 0 8.51321E-05 0 0 0 0 0 0 N8-Acetylspermidine 0 2.59571E-05 2.87584E-05 0 0 4.36235E-05 0 0 0 5.02042E-05 N-Acetyllysine 0 0 0 0 0 0 0.000261111 0.000251843 0.000352112 0 Nω-Methylarginine 5.90627E-05 0 0 0 0 0 9.0393E-05 0 0 0 N6,N6,N6-Trimethyllysine 0.000935254 0.001112866 0.001281623 0.001325212 0.001182333 0.001051524 0.001387339 0.001180401 0.001216851 0.001018314 Homocitrulline 0.000435484 0.000460864 0.000417666 0.000442946 0.000392254 0.000436088 0.000478594 0.00045516 0.000335017 0.000361662 Gly-Asp 0.000214779 0.000274159 0.000280562 0.000253778 0.000233312 0.000300068 0.000237181 0.000308166 0.000266267 0.000246384 ADMA 0.000181584 0.000160248 0.000180442 0.000154532 0.000148807 0.000165446 0.000190927 0.000130819 0.000164585 0.000131187 SDMA 0 6.87899E-05 7.96542E-05 8.13125E-05 8.79954E-05 0 0 7.66871E-05 8.02206E-05 0 Spermine 0.000182285 0.000228823 0.000164458 0.00021215 0.00022472 0.000101445 8.33162E-05 8.56447E-05 0.000160515 0.000108003 O-Acetylcarnitine 0.031543533 0.031716443 0.028250078 0.02839002 0.028306451 0.026123911 0.030100725 0.024906424 0.028712377 0.029898458 Trp 0.00219118 0.002279292 0.002071142 0.001695196 0.0018524 0.002334775 0.002682608 0.001908929 0.002950326 0.00261006 Carboxymethyllysine 0.00030366 0.000262288 0.000269259 0.000288737 0.000263114 0.00185146 0.001545801 0.001330296 0.001088972 0.001113846 XC0061 0.000548767 0.000592223 0.000449902 0.000554815 0.000446957 0.000360464 0.00049676 0.000305588 0.000390446 0.000401634 β-Ala-Lys 8.58861E-05 0.000162035 0.000164124 0.00012404 0.000106454 0 0.000107538 5.79342E-05 7.72604E-05 0 Cystathionine 0 0 7.23642E-05 9.51666E-05 0 0 0 0 0 0 Carnosine 0.081533537 0.080733909 0.110211546 0.070151146 0.089097621 0.088812603 0.090440719 0.084697874 0.070439283 0.10625086 2'-Deoxycytidine 7.26337E-05 5.56326E-05 6.21316E-05 4.9655E-05 5.17501E-05 4.67867E-05 5.46444E-05 6.20586E-05 6.10535E-05 7.23484E-05 Butyrylcarnitine 0.000104937 0.000191782 0.000333932 0 0.000229486 0 0.000114833 0 0.000232521 0.000160845 XC0071 0 4.06161E-05 0 6.24733E-05 0 0 0 0 5.10629E-05 0 Homocarnosine 0.048653098 0.043463502 0.054292578 0.038086788 0.04439403 0.073917211 0.081170658 0.081637414 0.089552721 0.097772021 Cytidine 0.000135838 0.000170187 0.000169407 0.00017389 0.000122831 0.000156765 0.000141535 0.000255452 0.000274778 0.000157328 Uridine 0.000275562 0.000238906 0 0.000226458 0.000210424 0.000229593 0.000212522 0.00022091 0.000255463 0 Isovalerylcarnitine 0 0 0.000192013 0 0 0 0 0 0 0 Malonylcarnitine 7.49274E-05 6.91475E-05 6.27335E-05 8.94048E-05 6.52414E-05 0 0.000105203 6.34763E-05 6.32736E-05 7.7145E-05 Pyridoxamine 5'-phosphate 0.000194837 0.000249846 0.000192013 0.000237269 0.000236936 0.000215469 0.000289491 0.000221877 0.000245546 0.00019666 Dyphylline 0.000816046 0.000554538 0.000583662 0.000592105 0.000449642 0.000489863 0.000526672 0.000521537 0.000481101 0.000784961 Glycerophosphocholine 0.002672219 0.00457739 0.003277859 0.003682431 0.003073461 0.003882857 0.004722834 0.005380212 0.00505582 0.004943758 Thiamine 0 0 2.12679E-05 1.92923E-05 0 3.81062E-05 3.58216E-05 0 0 3.90122E-05 Adenosine 0.000897791 0.001679132 0.000886161 0.00117424 0.000954659 0.00161451 0.001823911 0.001172926 0.001484599 0.001373741 Inosine 0.001112824 0.001380089 0.00070184 0.001025534 0.000770681 0.001847928 0.001489624 0.00119271 0.001292928 0.001519637 Glu-Glu 3.90565E-05 0 0 3.83904E-05 0 3.86211E-05 4.94644E-05 4.29834E-05 6.88239E-05 0 1-Methyladenosine 4.06494E-05 4.24753E-05 3.71184E-05 4.14331E-05 5.14145E-05 3.89154E-05 0 3.85369E-05 4.59566E-05 0 Guanosine 3.09012E-05 6.12817E-05 0 4.13036E-05 2.611E-05 6.40743E-05 7.28105E-05 6.0383E-05 0.000105678 5.40415E-05 Argininosuccinic acid 0.000183432 0.000185204 0.000162786 0.000149871 0.000126523 0.000304629 0.000439344 0.000115868 0.000306303 0.000263173 5'-Deoxy-5'-methylthioadenosine 4.21785E-05 3.51815E-05 4.76855E-05 3.19812E-05 2.29553E-05 5.25247E-05 3.97612E-05 3.42192E-05 4.92868E-05 3.30964E-05 Glutathione (GSSG)_divalent 0.023842515 0.01825314 0.026394824 0.025553018 0.024995852 0.030769406 0.030962851 0.027591374 0.023032184 0.024805047 Glutathione (GSH) 0.024655821 0.027571743 0.022896996 0.020643132 0.014902092 0.01736935 0.017878117 0.019729658 0.015428621 0.020432163 XC0132 0.000247592 0.000231254 0.000197229 0.000205676 0.000195254 0.000139183 0.000183339 0.000139068 0.000177388 0.000165882 XC0137 0.000112646 0.000113124 0.000147002 0.00010423 7.26247E-05 0.000163459 0.000193553 0.000107233 0.000139572 0.000185068 S-Lactoylglutathione 0.000376293 0.000459291 0.000198032 0.000355936 0.00020049 0.000200977 0.000198077 0.000359463 0.000202772 0.000217205 S-Adenosylhomocysteine 5.33284E-05 3.73268E-05 5.73162E-05 3.58008E-05 5.18844E-05 6.21616E-05 5.98243E-05 4.2919E-05 3.67801E-05 3.90921E-05 S-Adenosylmethionine 0.000509137 0.000462008 0.000449501 0.000467417 0.000366211 0.000631179 0.000588539 0.000628705 0.000637472 0.000522268 Cysteine glutathione disulfide 2.56766E-05 3.01045E-05 4.49434E-05 2.28529E-05 2.53717E-05 5.09799E-05 4.40657E-05 5.12966E-05 6.54937E-05 3.41357E-05 MS_METABOLITE_DATA_END #METABOLITES METABOLITES_START metabolite_name KEGG ID HMDB ID m/z MT/RT Urea C00086 HMDB00294 61.0405014 26.3588007 Ethanolamine C00189 HMDB00149 62.0606717 6.95835807 XC0001 72.0812725 6.986391625 Gly C00037 HMDB00123 76.0396789 9.2373833 Trimethylamine N-oxide C01104 HMDB00925 76.0757899 7.24439078 4-Methylpyrazole C07837 83.0626208 7.38684046 Putrescine C00134 HMDB01414 89.1075815 5.09492742 β-Ala C00099 HMDB00056 90.0549846 8.10912915 Sarcosine C00213 HMDB00271 90.0551165 10.6434836 Ala C00041,C00133,C01401 HMDB00161,HMDB01310 90.0551323 10.10291705 Glycerol C00116 HMDB00131 93.0545635 27.7356674 1-Aminocyclopropane-1-carboxylic acid Homoserinelactone C01234, , 102.0545084 7.847199067 2-Aminoisobutyric acid 2-Aminobutyric acid C03665, C02261,C02356 HMDB01906, HMDB00452 104.0706811 10.8592794 GABA C00334 HMDB00112 104.0705853 8.533229 N,N-Dimethylglycine C01026 HMDB00092 104.07108 12.438948 Choline C00114 HMDB00097 104.1069429 7.48810097 Ser C00065,C00716,C00740 HMDB00187,HMDB03406 106.0500344 11.2719298 Diethanolamine C06772 HMDB04437 106.0863056 8.4752299 Hypotaurine C00519 HMDB00965 110.026783 22.0247577 Histamine C00388 HMDB00870 112.0869694 5.17061522 Creatinine C00791 HMDB00562 114.06632 8.0657088 Pro C00148,C00763,C16435 HMDB00162,HMDB03411 116.0706549 12.2850687 Val C00183,C06417,C16436 HMDB00883 118.086152 11.32642415 Betaine C00719 HMDB00043 118.0862175 12.8555311 Thr C00188,C00820 HMDB00167 120.0654625 11.9236353 Homoserine C00263 HMDB00719 120.066084 11.383836 Nicotinamide C00153 HMDB01406 123.0552519 8.17478805 Taurine C00245 HMDB00251 126.0216285 27.7311887 1-Methylhistamine C05127 HMDB00898 126.1027556 5.33537917 XC0016 129.065861 9.73467465 Pipecolic acid C00408 HMDB00070,HMDB00716,HMDB05960 130.086101 11.6356084 trans-Glutaconic acid C02214 HMDB00620 131.034624 29.0046326 Hydroxyproline C01157 HMDB00725 132.065588 13.8172847 Leu C00123,C01570,C16439 HMDB00687 132.101254 11.6945706 Ile C00407,C06418,C16434 HMDB00172 132.101866 11.5622232 6-Aminohexanoic acid C02378 HMDB01901 132.10277 9.2904336 Asn C00152,C01905,C16438 HMDB00168 133.060628 11.8769504 Gly-Gly C02037 HMDB11733 133.06087 9.3308093 Creatine C00300 HMDB00064 133.078773 9.76250145 Ornithine C00077,C00515,C01602 HMDB00214,HMDB03374 133.097215 7.46918771 Asp C00049,C00402,C16433 HMDB00191,HMDB06483 134.04464 13.20133065 S-Methylcysteine HMDB02108 136.0423289 13.21408983 Adenine C00147 HMDB00034 136.06219 8.44404635 Hypoxanthine C00262 HMDB00157 137.045873 12.6342731 1-Methylnicotinamide C02918 HMDB00699 137.0712844 8.125602 Trigonelline C01004 HMDB00875 138.054761 11.8424895 Urocanic acid C00785 HMDB00301 139.0498357 9.207535429 Stachydrine C10172 HMDB04827 144.101638 13.16686965 4-Guanidinobutyric acid C01035 HMDB03464 146.0935383 9.210787 Acetylcholine C01996 HMDB00895 146.1169111 8.432468944 γ-Butyrobetaine C01181 HMDB01161 146.117115 9.0048193 Spermidine C00315 HMDB01257 146.165278 4.89229595 Gln C00064,C00303,C00819 HMDB00641,HMDB03423 147.076026 12.2149976 Lys C00047,C00739,C16440 HMDB00182,HMDB03405 147.11226 7.56044284 threo-β-Methylaspartic acid C03618 148.05963 14.158192 Glu C00025,C00217,C00302 HMDB00148,HMDB03339 148.059984 12.4518708 Met C00073,C00855,C01733 HMDB00696 150.058193 12.1805367 Triethanolamine C06771 150.1124333 9.165276333 His C00135,C00768,C06419 HMDB00177 156.076682 8.060134 N6-Methyllysine C02728 HMDB02038 161.128366 7.82867274 O-Acetylhomoserine　2-Aminoadipic acid C01077, C00956 , HMDB00510 162.075844 12.4874654 Carnitine C00318,C00487,C15025 HMDB00062 162.112242 9.4955131 5-Hydroxylysine C16741 HMDB00450 163.1075589 7.894920422 S-Methylmethionine C03172 164.07446 8.071675 Methionine sulfoxide C02989 HMDB02005 166.052206 13.5015974 Phe C00079,C02057,C02265 HMDB00159 166.085607 12.64090455 Taurocyamine C01959 HMDB03584 168.04351 27.72749833 1-Methylhistidine 3-Methylhistidine , C01152 HMDB00001, HMDB00479 170.092493 8.2838573 N5-Ethylglutamine C01047 175.107052 12.98563185 Arg C00062,C00792 HMDB00517,HMDB03416 175.11874 7.84313321 Diethylaminomalonic acid 176.090774 10.11955685 Citrulline C00327 HMDB00904 176.102808 12.59750315 Serotonin C00780 HMDB00259 177.10251 9.732859286 Tyr C00082,C01536,C06420 HMDB00158 182.080898 12.9711828 Phosphorylcholine C00588 HMDB01565 184.073002 25.5067927 2-(Creatinine-3-yl)propionic acid 186.08904 12.684256 N8-Acetylspermidine C01029 HMDB02189 188.1766 6.94934475 N-Acetyllysine C12989 HMDB00446 189.1231733 11.0611915 Nω-Methylarginine 189.134285 8.2381135 N6,N6,N6-Trimethyllysine C03793 HMDB01325 189.15928 7.92663097 Homocitrulline C02427 HMDB00679 190.118356 12.7398797 Gly-Asp 191.065304 11.156263 ADMA C03626 HMDB01539 203.148314 8.498608 SDMA HMDB03334 203.1500367 8.658411083 Spermine C00750 HMDB01256 203.223158 4.83436128 O-Acetylcarnitine C02571 HMDB00201 204.122853 10.08734595 Trp C00078,C00525,C00806 HMDB00929 205.096902 12.55528495 Carboxymethyllysine 205.118061 10.32871865 XC0061 218.138483 10.45774595 β-Ala-Lys C05341 218.1499525 7.367965463 Cystathionine C00542,C02291 HMDB00099 223.07475 11.173588 Carnosine C00386 HMDB00033 227.113666 7.38683865 2'-Deoxycytidine C00881 HMDB00014 228.098164 10.5901057 Butyrylcarnitine C02862 HMDB02013 232.1542171 10.69296586 XC0071 234.1805933 6.805363567 Homocarnosine C00884 HMDB00745 241.1292 7.48033602 Cytidine C00475 HMDB00089 244.096415 10.90379525 Uridine C00299 HMDB00296 245.0745613 27.80236488 Isovalerylcarnitine HMDB00688 246.1701 10.961162 Malonylcarnitine HMDB02095 248.1136156 11.55857378 Pyridoxamine 5'-phosphate C00647 HMDB01555 249.063564 11.8724966 Dyphylline C07819 255.106562 27.8367516 Glycerophosphocholine C00670 HMDB00086 258.110056 27.1431808 Thiamine C00378 HMDB00235 265.11215 7.23915932 Adenosine C00212 HMDB00050 268.104158 11.1306891 Inosine C00294 HMDB00195 269.088197 23.939773 Glu-Glu C01425 277.100505 12.407973 1-Methyladenosine C02494 HMDB03331 282.1178988 11.25763913 Guanosine C00387 HMDB00133 284.0989144 14.41916156 Argininosuccinic acid C03406 HMDB00052 291.130342 10.5867582 5'-Deoxy-5'-methylthioadenosine C00170 HMDB01173 298.094776 11.410999 Glutathione (GSSG)_divalent C00127 HMDB03337 307.083178 13.9906632 Glutathione (GSH) C00051 HMDB00125 308.091128 15.3424702 XC0132 325.160731 9.67793415 XC0137 350.100882 15.6714096 S-Lactoylglutathione C03451 HMDB01066 380.112982 16.0493595 S-Adenosylhomocysteine C00021 HMDB00939 385.132064 9.72690675 S-Adenosylmethionine C00019 HMDB01185 399.145569 7.84311385 Cysteine glutathione disulfide C05526 HMDB00656 427.099232 13.3225852 METABOLITES_END #END