#METABOLOMICS WORKBENCH hormel101_20161014_131156_mwtab.txt DATATRACK_ID:758 VERSION 1 CREATED_ON November 16, 2016, 3:04 pm #PROJECT PR:PROJECT_TITLE Mayo Metabolomics Pilot and Feasibility Award: Mechanisms of sleep apnea and PR:PROJECT_TITLE cardiovascular disease PR:PROJECT_TYPE MS targeted analysis PR:PROJECT_SUMMARY Targeted Metabolic and Biological Markers of Sleepiness Symptoms in Sleep apnea PR:PROJECT_SUMMARY and cardiovascular disease PR:INSTITUTE Mayo Clinic PR:LABORATORY Mayo Clinic Metabolomics Resource Core PR:LAST_NAME Pak PR:FIRST_NAME Victoria PR:ADDRESS unknown PR:EMAIL victoria.pak@yale.edu PR:PHONE 203-737-5065 #STUDY ST:STUDY_TITLE Sleep apnea and cardiovascular samples amino acid metabolites ST:STUDY_SUMMARY Sleep apnea and cardiovascular samples amino acid metabolites ST:INSTITUTE Mayo Clinic ST:LABORATORY Mayo Clinic Metabolomics Resource Core ST:LAST_NAME Pak ST:FIRST_NAME Victoria ST:ADDRESS unknown ST:EMAIL victoria.pak@yale.edu ST:PHONE 203-737-5065 #SUBJECT SU:SUBJECT_TYPE Human SU:SUBJECT_SPECIES Homo sapiens SU:TAXONOMY_ID 9606 #SUBJECT_SAMPLE_FACTORS: SUBJECT(optional)[tab]SAMPLE[tab]FACTORS(NAME:VALUE pairs separated by |)[tab]Additional sample data SUBJECT_SAMPLE_FACTORS s_01 ms5686-1 Disease:cardiovascular disease sample type=plasma; Assay=Concentration of AA + metabolites in plasma SUBJECT_SAMPLE_FACTORS s_02 ms5686-2 Disease:cardiovascular disease sample type=plasma; Assay=Concentration of AA + metabolites in plasma SUBJECT_SAMPLE_FACTORS s_03 ms5686-3 Disease:cardiovascular disease sample type=plasma; Assay=Concentration of AA + metabolites in plasma SUBJECT_SAMPLE_FACTORS s_04 ms5686-4 Disease:cardiovascular disease sample type=plasma; Assay=Concentration of AA + metabolites in plasma SUBJECT_SAMPLE_FACTORS s_05 ms5686-5 Disease:cardiovascular disease sample type=plasma; Assay=Concentration of AA + metabolites in plasma SUBJECT_SAMPLE_FACTORS s_06 ms5686-6 Disease:cardiovascular disease sample type=plasma; Assay=Concentration of AA + metabolites in plasma SUBJECT_SAMPLE_FACTORS s_07 ms5686-7 Disease:cardiovascular disease sample type=plasma; Assay=Concentration of AA + metabolites in plasma SUBJECT_SAMPLE_FACTORS s_08 ms5686-8 Disease:cardiovascular disease sample type=plasma; Assay=Concentration of AA + metabolites in plasma SUBJECT_SAMPLE_FACTORS s_09 ms5686-9 Disease:cardiovascular disease sample type=plasma; Assay=Concentration of AA + metabolites in plasma SUBJECT_SAMPLE_FACTORS s_10 ms5686-10 Disease:cardiovascular disease sample type=plasma; Assay=Concentration of AA + metabolites in plasma SUBJECT_SAMPLE_FACTORS s_11 ms5686-11 Disease:cardiovascular disease sample type=plasma; Assay=Concentration of AA + metabolites in plasma SUBJECT_SAMPLE_FACTORS s_12 ms5686-12 Disease:cardiovascular disease sample type=plasma; Assay=Concentration of AA + metabolites in plasma SUBJECT_SAMPLE_FACTORS s_13 ms5686-13 Disease:cardiovascular disease sample type=plasma; Assay=Concentration of AA + metabolites in plasma SUBJECT_SAMPLE_FACTORS s_14 ms5686-14 Disease:cardiovascular disease sample type=plasma; Assay=Concentration of AA + metabolites in plasma SUBJECT_SAMPLE_FACTORS s_15 ms5686-15 Disease:cardiovascular disease sample type=plasma; Assay=Concentration of AA + metabolites in plasma SUBJECT_SAMPLE_FACTORS s_16 ms5686-16 Disease:cardiovascular disease sample type=plasma; Assay=Concentration of AA + metabolites in plasma SUBJECT_SAMPLE_FACTORS s_17 ms5686-17 Disease:sleep apnea sample type=plasma; Assay=Concentration of AA + metabolites in plasma SUBJECT_SAMPLE_FACTORS s_18 ms5686-18 Disease:sleep apnea sample type=plasma; Assay=Concentration of AA + metabolites in plasma SUBJECT_SAMPLE_FACTORS s_19 ms5686-19 Disease:sleep apnea sample type=plasma; Assay=Concentration of AA + metabolites in plasma SUBJECT_SAMPLE_FACTORS s_20 ms5686-20 Disease:sleep apnea sample type=plasma; Assay=Concentration of AA + metabolites in plasma SUBJECT_SAMPLE_FACTORS s_21 ms5686-21 Disease:sleep apnea sample type=plasma; Assay=Concentration of AA + metabolites in plasma SUBJECT_SAMPLE_FACTORS s_22 ms5686-22 Disease:sleep apnea sample type=plasma; Assay=Concentration of AA + metabolites in plasma SUBJECT_SAMPLE_FACTORS s_23 ms5686-23 Disease:sleep apnea sample type=plasma; Assay=Concentration of AA + metabolites in plasma SUBJECT_SAMPLE_FACTORS s_24 ms5686-24 Disease:sleep apnea sample type=plasma; Assay=Concentration of AA + metabolites in plasma SUBJECT_SAMPLE_FACTORS s_25 ms5686-25 Disease:sleep apnea sample type=plasma; Assay=Concentration of AA + metabolites in plasma SUBJECT_SAMPLE_FACTORS s_26 ms5686-26 Disease:sleep apnea sample type=plasma; Assay=Concentration of AA + metabolites in plasma SUBJECT_SAMPLE_FACTORS s_27 ms5686-27 Disease:sleep apnea sample type=plasma; Assay=Concentration of AA + metabolites in plasma SUBJECT_SAMPLE_FACTORS s_28 ms5686-28 Disease:sleep apnea sample type=plasma; Assay=Concentration of AA + metabolites in plasma SUBJECT_SAMPLE_FACTORS s_29 ms5686-29 Disease:sleep apnea sample type=plasma; Assay=Concentration of AA + metabolites in plasma SUBJECT_SAMPLE_FACTORS s_30 ms5686-30 Disease:sleep apnea sample type=plasma; Assay=Concentration of AA + metabolites in plasma SUBJECT_SAMPLE_FACTORS s_31 ms5686-31 Disease:sleep apnea sample type=plasma; Assay=Concentration of AA + metabolites in plasma SUBJECT_SAMPLE_FACTORS s_32 ms5686-32 Disease:sleep apnea sample type=plasma; Assay=Concentration of AA + metabolites in plasma SUBJECT_SAMPLE_FACTORS s_33 ms5686-33 Disease:sleep apnea sample type=plasma; Assay=Concentration of AA + metabolites in plasma SUBJECT_SAMPLE_FACTORS s_34 ms5686-34 Disease:sleep apnea sample type=plasma; Assay=Concentration of AA + metabolites in plasma SUBJECT_SAMPLE_FACTORS s_35 ms5686-35 Disease:sleep apnea sample type=plasma; Assay=Concentration of AA + metabolites in plasma SUBJECT_SAMPLE_FACTORS s_36 ms5686-36 Disease:sleep apnea sample type=plasma; Assay=Concentration of AA + metabolites in plasma #COLLECTION CO:COLLECTION_SUMMARY For the metabolic markers, 9 ml blood will be drawn into 3 EDTA tubes (3 ml CO:COLLECTION_SUMMARY each) and gently centrifuged at 4°C for 10 min; plasma aliquots were CO:COLLECTION_SUMMARY immediately frozen and stored at -80 °C; will be stored at -80ºC in the CTRC CO:COLLECTION_SUMMARY until all samples are collected and then sent to Mayo Clinic Metabolomics Core CO:COLLECTION_SUMMARY via LC-MS/MS for simultaneous detection and quantification of metabolites for CO:COLLECTION_SUMMARY analyses. #TREATMENT TR:TREATMENT_SUMMARY Recruitment of subjects will take place from the clinic population in TR:TREATMENT_SUMMARY collaboration with the Penn Sleep Center. Patients newly diagnosed with OSA will TR:TREATMENT_SUMMARY be solicited for via an overnight sleep study, which is general monitoring of TR:TREATMENT_SUMMARY sleep and variety of body functions during sleep. This includes brain (EEG), eye TR:TREATMENT_SUMMARY (EOG), and muscle activity and heart rhythm. The diagnosis of OSA will be TR:TREATMENT_SUMMARY established by full sleep study. First, the PI will screen for eligibility and TR:TREATMENT_SUMMARY obtain informed consent. We will assess height, weight, medical history, TR:TREATMENT_SUMMARY demographics. EDS will be measured subjectively on the night of enrollment in TR:TREATMENT_SUMMARY the study and determined using the Epworth Sleepiness Scale. The information TR:TREATMENT_SUMMARY regarding gender, BMI, smoking, age, medications (name/duration/frequency), and TR:TREATMENT_SUMMARY presence of comorbidities (e.g. hypertension, CVD defined by doctor diagnosis of TR:TREATMENT_SUMMARY myocardial infarction, stroke, or heart failure) will then be obtained via the TR:TREATMENT_SUMMARY electronic medical record. We will also ask subjects whether they exercise by TR:TREATMENT_SUMMARY asking participants the yes/no question: “During the past month, did you TR:TREATMENT_SUMMARY participate in any physical activities or exercises?” Second, the subject will TR:TREATMENT_SUMMARY undergo diagnostic PSG and we will enforce fasting prior to bedtime. Third, TR:TREATMENT_SUMMARY biological samples will be collected in the morning after the sleep study. TR:TREATMENT_SUMMARY Patients who have agreed to participate will undergo a blood draw (20 ml) and TR:TREATMENT_SUMMARY urine collection (30 ml) on the morning after PSG. Laboratory analysis of the TR:TREATMENT_SUMMARY biological samples will be conducted in collaboration with the Clinical TR:TREATMENT_SUMMARY Translation Research Center (CTRC). Finally, subjects will have 1 or 2 practice TR:TREATMENT_SUMMARY sessions with the PVT prior to administration of the task. PVT test will be TR:TREATMENT_SUMMARY conducted 3 times, at approximately 10:00, 12:00, and 14:00 and automatically TR:TREATMENT_SUMMARY scored. This will be done on the day after the sleep study. #SAMPLEPREP SP:SAMPLEPREP_SUMMARY Amino Acid Panel #CHROMATOGRAPHY CH:CHROMATOGRAPHY_TYPE Reversed phase CH:INSTRUMENT_NAME Waters Acquity CH:COLUMN_NAME Waters Acquity BEH C18 (150 x 2.1mm, 1.7um) #ANALYSIS AN:ANALYSIS_TYPE MS #MS MS:MS_COMMENTS - MS:INSTRUMENT_NAME Thermo Quantum Ultra MS:INSTRUMENT_TYPE Triple quadrupole MS:MS_TYPE ESI MS:ION_MODE POSITIVE #MS_METABOLITE_DATA MS_METABOLITE_DATA:UNITS micromolar MS_METABOLITE_DATA_START Samples ms5686-1 ms5686-2 ms5686-3 ms5686-4 ms5686-5 ms5686-6 ms5686-7 ms5686-8 ms5686-9 ms5686-10 ms5686-11 ms5686-12 ms5686-13 ms5686-14 ms5686-15 ms5686-16 ms5686-17 ms5686-18 ms5686-19 ms5686-20 ms5686-21 ms5686-22 ms5686-23 ms5686-24 ms5686-25 ms5686-26 ms5686-27 ms5686-28 ms5686-29 ms5686-30 ms5686-31 ms5686-32 ms5686-33 ms5686-34 ms5686-35 ms5686-36 Factors Disease:cardiovascular disease Disease:cardiovascular disease Disease:cardiovascular disease Disease:cardiovascular disease Disease:cardiovascular disease Disease:cardiovascular disease Disease:cardiovascular disease Disease:cardiovascular disease Disease:cardiovascular disease Disease:cardiovascular disease Disease:cardiovascular disease Disease:cardiovascular disease Disease:cardiovascular disease Disease:cardiovascular disease Disease:cardiovascular disease Disease:cardiovascular disease Disease:sleep apnea Disease:sleep apnea Disease:sleep apnea Disease:sleep apnea Disease:sleep apnea Disease:sleep apnea Disease:sleep apnea Disease:sleep apnea Disease:sleep apnea Disease:sleep apnea Disease:sleep apnea Disease:sleep apnea Disease:sleep apnea Disease:sleep apnea Disease:sleep apnea Disease:sleep apnea Disease:sleep apnea Disease:sleep apnea Disease:sleep apnea Disease:sleep apnea Histidine 54.04872634 36.54137277 25.23603302 32.21216948 49.10144097 34.5822167 56.23047393 36.52869012 27.63820061 24.90732299 42.67218251 47.47216002 39.2931101 20.69345591 34.26336665 28.71717219 32.47522438 17.97585104 27.44583193 33.93688546 26.03501161 36.42098279 34.57363471 17.77820494 25.49379908 22.81229299 38.15134739 19.5640676 25.08480377 21.64637306 24.43998369 22.53820332 24.20272633 21.26593337 15.34526641 14.43396244 Hydroxyproline 13.48167966 6.058939475 13.27281203 11.24347634 11.19496739 9.639363113 19.50890625 12.86096941 11.43968392 24.49397106 12.51793472 8.552384496 7.449017256 10.95851017 13.08070278 19.5340572 8.896571033 18.63594304 11.75137296 16.93651446 8.909197717 8.823381516 7.857678893 8.409015651 11.24375729 13.04871435 6.652776412 7.52068901 11.47269989 10.3815615 7.772496639 8.967399224 7.182439994 8.689193162 7.720370279 7.0205395 1-Methylhistidine 0 11.95899437 0 15.2467722 0 0 10.07875589 5.298898498 0 12.5435723 6.551592973 14.87898458 8.788314269 5.588803869 0 0 8.327768728 5.811469319 7.124107343 0 5.452879496 5.219793219 0 0 0 8.957380009 0 5.955030454 9.98048344 0 0 0 5.556234938 0 14.3966034 9.819177972 3-Methylhistidine 3.942538873 2.476889759 3.600368125 1.45630719 3.378341889 1.988124683 8.14099045 2.882355096 1.216646746 6.164864967 1.658501581 2.113539756 0.950415586 2.315484811 5.412902581 3.146861083 1.778614516 6.166748352 4.661195144 2.928655884 1.245539624 2.156822618 NF 1.440350706 1.257604975 1.436918209 4.812527265 1.82275635 1.626048903 2.620952318 0.842796103 1.424420949 2.338836321 2.106214687 2.148095285 1.133413623 Phosphoethanolamine 0.402354426 1.515889025 0.557112093 1.252902227 0.842886406 1.40916994 0.399010138 1.015069154 0.57419283 1.718811513 0.277866189 1.0172735 1.156477254 1.107625708 0.958000523 1.191734091 3.188176646 2.769587873 1.599130322 1.604216217 0.642166904 1.195557659 4.04136879 1.578225391 1.001436905 1.107940278 1.398834359 1.357305647 1.041618328 0.773153464 1.439509796 0.934181344 2.692997011 1.336169692 1.144892555 1.137832786 Carnosine 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 Anserine 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 Ethanolamine 10.271406 7.383221078 7.797780978 6.006675276 9.242630475 6.632064561 9.060103659 6.324603372 6.828859825 6.667625503 9.49291468 8.82350727 5.700199126 6.787982596 6.753429782 4.2816999 4.23798144 5.295591878 8.231366362 6.411337988 6.066317692 5.738977094 7.51904828 4.852047412 7.016130749 3.962466636 6.827448271 6.59825286 5.094799727 5.727157875 4.429823014 8.281513052 6.288176918 4.353291941 7.484773101 4.596130903 Aspartic Acid 2.148941704 2.481145033 3.133202133 2.458857502 1.803185793 2.627216676 3.397051478 2.837428855 3.416859785 4.355979224 3.859597599 4.145875641 3.935431736 4.547671291 2.552108002 3.345352614 5.134572915 4.335935065 6.457322148 5.586443399 3.518663157 5.792027547 6.43066471 4.270769486 6.096226777 4.381275513 5.36592117 5.696122178 4.540720315 6.333113473 3.483519921 3.024715869 4.534155381 4.505643351 2.928806521 3.45989887 Sarcosine 19.38703521 14.5310846 27.0603287 17.07977382 17.94442084 17.42596541 21.16223928 21.93852578 29.2153557 18.64702548 33.69021978 33.7685928 23.00112831 25.34714822 23.60411165 23.11620598 9.288065786 5.294393233 7.309978524 8.078353175 9.8941411 9.854721649 15.58364138 6.785339269 15.12055229 8.696300117 14.90300595 9.293212077 3.748051509 2.821315735 3.848372503 4.728483905 4.452541929 5.078975618 6.142062408 5.884806666 beta-alanine 27.069875 16.37898253 38.89304039 18.46588997 20.94724657 18.87061987 26.31829143 24.93993349 35.51581398 19.69131005 45.75229711 42.78862925 24.92035487 28.03497285 27.19126669 25.74805506 10.00379955 6.133828211 9.168724163 11.17376946 13.35998471 12.17425628 17.61976155 7.794549185 19.17749986 10.49995279 20.23705819 11.2505525 4.861275404 3.480596375 4.299351342 5.941502684 5.389594398 5.801157181 6.98842529 6.654544323 gamma-Amino-N-butyric-acid 0.034980373 0.062542104 0.073610766 0.072894976 0.098352774 0.080738174 0.06731607 0.089192655 0.107359191 0.101270396 0.065988152 0.067976238 0.102976156 0.105720628 0.105627454 0.109919595 0.082434262 0.085439464 0.110055186 0.089953969 0.076648922 0.100736968 0.040567283 0.041749625 0.054082615 0.046398055 0.0530111 0.04825599 0.046179224 0.070233578 0.074577591 0.063641535 0.06803781 0.0403842 0.112633048 0.042408026 alpha-Aminoadipic-acid 0.62368004 0.301877934 0.430632951 0.499297677 0.41033014 0.46992911 1.018462166 0.249832731 1.233490796 0.726264033 1.442663779 1.28191754 1.002977047 1.120156433 0.45602406 0.645661493 0.760534745 1.116147785 1.572333925 0.635218794 0.35848016 1.124917601 0.449084361 0.626051744 1.370891096 0.302271455 0.504077834 0.54608593 0.776537571 0.482315297 0.177974299 0.21482546 1.08464604 0.982492111 0.355685455 0.438457713 beta-Aminoisobutyric-acid 1.591168722 0.778549949 0.18532174 0.956604189 0.20999011 0.316042531 0.290007212 1.333952996 2.595814443 2.544496461 0.65047135 1.976722623 0.765343744 0.927428318 0.712046538 0.604309741 0.722936037 1.046941303 0.956846876 0.661221695 0.448702544 0.382384993 0.385024922 0.209907224 0.677612736 0.660676072 0.588723093 0.785554295 0.781284714 0.702995532 2.374659727 2.70301061 1.849153715 1.543462598 0.989487225 1.923751777 Hydroxylysine 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 Hydroxylysine 2 0 0 0.006227618 0.07378128 0 0.006794458 0 0 0.038362615 0 0 0 0.092496979 0.130872758 0.134359372 0.183713715 0.143243551 0.035694588 0 0.016821219 0 0 0.033735608 0 0.002180687 0.06483138 0 0.025917813 0 0.033054316 0 0 0 0 0 0 alpha-Amino-N-butyric-acid 13.42793673 18.74405127 17.50079312 26.97227743 16.59456573 11.26902382 17.573509 15.7292855 23.76983488 17.89671473 14.04721675 27.28221116 24.11015647 26.906847 27.24435626 12.29186964 19.7231535 21.82808816 29.86665504 16.26219814 20.38614169 21.7263054 15.58524119 15.36529962 17.29152823 9.632399868 21.65667141 23.35429346 17.76465485 24.5964601 9.669342715 18.46050538 20.45306473 21.8873012 27.51683779 18.06361753 Cystathionine 1 0.338074255 0 1.377323536 0 0.334957586 0 0.258887426 0 0 0.175845584 0 0 0.139261656 0.704456166 0 0.153355952 0.146887629 0 0.976802082 0.18890944 0 0.303886207 0 0 0 0 0 0 0 0 0 0 0 0.428442358 0 0.586692864 Cystathionine 2 0.313663241 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 Methionine 35.50135728 23.49532169 21.53384547 20.96371532 29.8855697 21.35870695 29.87359909 20.92312643 20.33798247 19.53430866 30.31351072 23.82488705 25.52126494 19.73691266 22.28905197 18.90187505 20.9905472 20.39000156 35.75360654 33.16807556 21.1459438 25.79358561 22.84186865 18.917236 29.96313306 17.81169882 25.54533507 18.62139211 27.09730554 16.28601962 17.96863253 23.3414155 26.90117007 18.02851721 21.7617118 10.96731804 allo-Isoleucine 2.202056128 2.047161206 2.882462858 2.38357486 3.155368139 1.672527769 2.714559108 1.79567581 1.998546337 2.112680757 3.139803652 2.401512169 2.930696975 3.578721022 2.335512288 1.702252717 1.816036735 3.866715381 3.01008652 2.660368353 2.691565271 1.86081557 2.338883157 2.84795617 3.25290362 2.367114652 2.999278628 2.651415718 2.557376084 1.973999798 1.408184068 2.327940678 2.903320728 1.880357482 1.041817917 1.794184029 Homocystine 0.025808341 0.218123215 0 0.083269548 0.016010714 0 0.040993402 0.045752284 0.045586796 0.072343639 0 0.118198438 0 0 0.142583826 0.187826681 0 0.037701171 0 0 0 0 0 0.065941264 0 0.053864597 0 0.05008464 0.005032124 0 0.107380015 0 0 0.101580054 0 0 Asparagine 60.26116836 42.34066635 33.74595276 40.30456894 49.97111113 49.59952637 46.63923768 50.33377238 40.36307841 37.89431774 44.91118829 42.28926519 42.49960546 29.33540585 52.58895849 33.30830448 44.12410725 29.10487022 47.3570318 52.53686341 37.88595794 42.81648971 35.11379929 29.65083925 41.41348602 29.90988584 38.82752916 32.26793316 45.0970447 25.80891028 37.17111828 45.95741551 38.82499619 39.86275593 45.16298227 33.59979409 Arginine 106.6758227 81.24008314 54.32221181 54.10571813 67.8485001 77.92349956 99.99590012 79.21633333 65.87815436 56.57796593 84.77462899 103.5139281 50.16259529 52.21958558 96.00408034 75.34548934 83.15633337 51.91483176 61.57628032 75.47276525 69.89620702 103.9347147 66.21082226 37.47765907 96.22437542 39.8933287 43.51145447 47.78159413 77.38699639 46.15486527 68.96574702 58.56794205 73.18066126 48.25519132 45.84262361 42.61090501 Taurine 60.76548282 68.96498288 61.06416586 44.29080325 46.21696287 48.01268406 43.16050708 32.93903146 42.46073947 53.94914322 43.05727155 59.74661244 38.36051418 29.43587158 37.66177742 41.2465267 56.95671887 77.59016156 80.11352964 79.77276479 73.61724739 69.49645773 97.42634194 43.26584791 43.98959604 36.30960191 74.67081463 45.84240498 46.07226073 33.1756771 44.02960509 51.85881106 69.47031223 46.25960413 48.85074982 41.03611851 Serine 70.95032179 94.04087866 100.5814591 110.6948033 75.84490105 125.4332958 108.3931332 89.64047796 58.70677982 88.138875 80.29906299 104.6969296 86.68962574 61.02500839 87.7418534 79.29666756 60.53423851 82.96329452 79.9881396 80.56716477 96.98026 86.2985802 67.53485292 57.2676204 67.84409963 58.62347395 85.00868025 77.85079346 78.29315681 81.08452702 125.9392194 74.67101601 71.39822408 78.01385967 80.70940681 82.94092517 Glutamine 648.0446202 535.1014789 512.7278808 540.8198247 668.509064 568.1897979 573.5373382 539.3495217 499.9935672 431.5137802 597.2792176 535.9466858 517.1008015 471.7227198 588.5160537 537.173443 488.6024567 438.3743854 614.5787799 567.5900858 526.4172668 606.4094929 452.2877169 331.620586 567.504767 387.7583092 562.4956273 376.4811134 584.7724781 259.7296453 552.6466345 663.6470899 494.3492597 497.3376051 627.4321229 419.2052731 Glycine 320.2736191 351.9493098 270.7801946 313.656276 251.0043708 439.0722555 262.1925034 218.7751754 173.1913885 218.852783 282.5837429 229.0373506 201.08078 170.209406 249.4795068 191.8461978 216.3246953 166.3288286 220.3549108 205.7307677 190.9352207 195.2821408 174.5567376 147.0445215 163.2265524 114.6375268 197.5821707 217.798793 169.8824108 107.3244764 461.6735232 287.9311836 178.2308149 186.554583 290.5387916 193.3306629 Citrulline 48.95160959 36.01475628 35.09628517 24.29760364 28.45352007 33.83301496 39.89989907 28.67483812 38.56776408 33.10363884 42.60508751 48.21957502 16.83477957 20.32638348 32.61428176 31.70472581 22.85901592 34.42884055 47.48586337 44.73414498 41.51883356 38.47741907 21.1399387 14.42155129 33.58443526 21.19306815 28.65753414 22.60718069 26.7016679 23.17151669 31.41702277 37.29165817 26.7307359 25.17006389 26.24253291 22.46921119 Glutamic Acid 31.6468825 43.20578789 67.0149164 38.4013483 24.59629614 46.24160597 58.90765949 50.05349956 58.63885334 100.4332977 74.17293468 69.37084803 86.17092183 80.30686488 25.07092505 51.60534974 84.43421948 136.1190231 99.9275502 101.372144 55.83347383 66.61739262 51.82289008 65.22167089 115.1721349 64.4043947 150.9701302 181.4498881 51.17340727 170.8961464 28.81011278 24.16970618 73.76373393 49.42083878 29.40897368 53.10570759 Threonine 150.8815894 93.86228135 107.2752721 125.1724128 131.2154323 129.5596717 169.2098938 143.5617808 81.44427833 113.9559398 123.2844225 129.1818427 110.6096736 124.8286912 123.149708 138.9258215 150.5507003 101.6924966 168.1670479 125.502397 117.2821189 141.3321172 105.1239077 72.08457778 144.0685545 94.93436952 101.9914488 107.8733136 105.9517292 83.47815551 120.9319193 128.0920314 116.8314266 100.6452082 144.2138316 78.65084913 Alanine 471.0535195 414.353579 470.7161526 341.4245558 345.4149348 389.2703848 415.2362526 265.0693336 309.9592658 255.2257994 382.4255854 439.6606524 557.8295911 474.3657713 313.1874461 373.4831732 474.5330006 238.5423531 402.3701344 397.6878862 341.2502581 481.3234423 450.0236587 395.1925697 390.9477653 290.074737 483.6526731 254.4812324 317.4179192 175.4583819 175.6137015 300.5550483 371.4912087 267.2407267 367.185417 119.4655609 Proline 149.8994716 91.00014091 197.1834689 128.1017462 218.3459447 165.2456245 173.3734903 123.8116339 161.5006639 163.0041499 215.3035041 161.2038266 199.6372319 248.2227848 181.7901879 165.1483908 151.6383426 152.6570453 190.9913026 216.4060236 143.2118575 225.7110258 139.5959066 136.2807868 199.518447 129.6376872 146.5753752 133.4319831 296.4305077 78.84211286 168.282783 133.5238078 165.420589 201.0816725 171.1245037 92.35944286 Ornithine 43.10116626 36.6675039 40.38749195 41.81333101 30.4565569 53.12431417 50.01057068 44.90946669 47.59306783 46.34578152 38.25139724 60.99979391 30.40684465 59.43028465 53.89209364 58.60547798 37.77954229 52.33964867 65.238191 45.99682132 51.44644329 72.48778827 34.27213044 33.35470447 59.98573269 21.27916871 46.72890114 43.41755776 45.23715789 55.54413982 38.71461744 52.63196309 35.02649583 44.76730345 47.57250677 38.03668146 Lysine 206.510591 166.1358955 176.5838521 164.1681051 163.647628 149.8712515 192.9548628 173.5943467 166.7535064 135.2894243 205.0604502 218.4494394 184.5551191 214.8093678 190.1624794 144.3273398 171.7422271 146.801621 230.2859857 172.7380531 198.155895 238.7165218 156.7571018 156.9057099 209.515348 121.155628 166.1208219 152.3190425 192.2975382 119.3017479 98.04427179 153.1692616 150.8222439 134.2909781 182.3695169 145.3214404 Cystine 88.94823442 68.4838858 107.965371 36.59483208 46.00896527 48.94653088 71.77814143 58.64656069 80.03723552 70.97764136 92.0351434 92.79205417 55.5465005 69.0445082 41.28062509 55.17694463 54.93612118 85.03982059 91.40024565 97.46140531 118.1505704 73.32280524 35.65780239 49.38718011 93.71492851 38.49237379 70.41899768 43.23205403 64.88894681 45.8680269 34.27850863 61.20309021 43.58828244 46.94237041 39.87462633 34.87170597 Tyrosine 81.33337902 51.66033437 85.76396455 57.9779982 60.45473722 59.58569734 68.13580564 75.78994223 64.80046643 72.38647481 73.61543991 76.93745315 70.31517377 76.30751892 46.40759053 74.40622482 76.65834963 65.342678 108.0859436 87.39449958 69.922915 93.0921083 63.75480632 55.90775265 101.6798049 48.87364779 68.61049667 53.69210488 65.02543153 52.45328316 35.60114906 44.74707877 76.4004637 40.12908337 63.85084159 35.36645856 Valine 216.6903733 133.164467 214.1596771 214.8370287 190.3132896 161.2082769 200.3000081 145.684021 185.5911152 142.2484679 236.9051289 209.425707 237.3658968 320.8704384 217.1836266 200.7536969 179.6760036 313.1261015 330.232767 198.2469842 242.7823105 254.2471545 179.6325129 242.1739249 296.035399 149.0577543 235.1094947 242.771363 254.463854 175.6855511 118.1279369 205.3197279 259.8224437 194.19182 160.3217784 165.9299194 Isoleucine 78.124851 44.82011822 70.27994552 75.90491053 82.87045066 60.6548662 68.33918926 51.31229571 54.75818378 58.30261269 90.41967358 74.3663822 78.26019902 92.47486734 67.80289574 51.48089639 56.26191184 102.1358163 104.6110868 72.51482296 69.23151861 74.75583346 59.63355172 75.79989495 91.0912726 56.63745586 74.4436821 79.90140031 80.38460739 55.04282709 36.7023287 65.40499742 84.59818352 65.19691511 49.38113186 55.79591611 Leucine 150.3256038 89.77862604 133.3463626 136.8828639 144.1915943 114.2561068 136.9100822 100.4654221 116.9301128 91.03058458 176.8548654 133.8388398 142.5312111 162.8211047 125.3909467 101.4086409 105.2501324 192.9908916 190.6727016 145.4773139 141.4776395 143.3366995 122.0823659 149.0788443 174.0405884 97.93846225 150.3353877 138.0033187 156.6531663 110.605193 79.7634849 124.7307502 152.5292353 122.64345 90.27796411 106.4164147 Phenylalanine 70.25377142 50.43252107 57.70301553 51.62781781 55.16154774 51.04785236 63.09558356 48.1241542 59.42887283 54.94973054 69.17270634 66.24868969 54.15969591 59.03212293 49.65864106 52.2014579 44.27512208 61.3490952 68.02672343 61.103292 60.03530224 56.20443115 54.93801515 54.6365571 78.71709061 42.68831155 58.52799966 52.42767333 57.24584254 47.18341114 40.71843838 47.96188518 53.66531121 48.20353784 52.95009918 38.54862874 Tryptophan 66.59576732 49.42564799 56.60915143 45.71637632 50.57891339 44.96204289 59.48496723 40.43162823 51.12853855 43.97443644 46.15942742 48.12196475 44.82170909 34.0300013 43.83681325 37.07715595 35.69793295 44.47403333 68.78741496 55.87356045 49.44767949 54.90249739 47.51624073 30.88040596 60.76351408 35.16653963 60.11750032 39.05085145 52.32488075 26.75542681 29.12830201 35.96698417 51.75671067 40.72750813 33.62994494 34.64695015 MS_METABOLITE_DATA_END #METABOLITES METABOLITES_START metabolite_name Histidine Hydroxyproline 1-Methylhistidine 3-Methylhistidine Phosphoethanolamine Carnosine Anserine Ethanolamine Aspartic Acid Sarcosine beta-alanine gamma-Amino-N-butyric-acid alpha-Aminoadipic-acid beta-Aminoisobutyric-acid Hydroxylysine 1 Hydroxylysine 2 alpha-Amino-N-butyric-acid Cystathionine 1 Cystathionine 2 Methionine allo-Isoleucine Homocystine Asparagine Arginine Taurine Serine Glutamine Glycine Citrulline Glutamic Acid Threonine Alanine Proline Ornithine Lysine Cystine Tyrosine Valine Isoleucine Leucine Phenylalanine Tryptophan METABOLITES_END #END