#METABOLOMICS WORKBENCH emil_ylikallio_20170905_100055 DATATRACK_ID:1234 STUDY_ID:ST000876 ANALYSIS_ID:AN001413 PROJECT_ID:PR000607
VERSION             	1
CREATED_ON             	September 13, 2017, 9:10 am
#PROJECT
PR:PROJECT_TITLE                 	Human serum for a patient with neuropathy being treated with L-serine.
PR:PROJECT_SUMMARY               	Human serum for a patient with neuropathy being treated with L-serine.
PR:INSTITUTE                     	University of Helsinki
PR:LAST_NAME                     	Ylikallio
PR:FIRST_NAME                    	Emil
PR:ADDRESS                       	Haartmaninkatu 8, 00290, Helsinki, Finland
PR:EMAIL                         	emil.ylikallio@helsinki.fi
PR:PHONE                         	None
#STUDY
ST:STUDY_TITLE                   	Human serum for a patient with neuropathy being treated with L-serine.
ST:STUDY_TYPE                    	drug dosage
ST:STUDY_SUMMARY                 	Oral serine dosing over 52 week study period
ST:INSTITUTE                     	University of Helsinki
ST:DEPARTMENT                    	Molecular Neurology
ST:LAST_NAME                     	Ylikallio
ST:FIRST_NAME                    	Emil
ST:ADDRESS                       	Hartmaninkatu 8, 00290 Helsinki, Finland
ST:EMAIL                         	emil.ylikallio@helsinki.fi
ST:PHONE                         	None
#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           	Patient_V	week-1_0	L-serine (mg/kg/day):- | time point (weeks):-	gender=female; disease=HSAN1C
SUBJECT_SAMPLE_FACTORS           	Patient_V	week0_0	L-serine (mg/kg/day):- | time point (weeks):-	gender=female; disease=HSAN1C
SUBJECT_SAMPLE_FACTORS           	Patient_V	week3_50	L-serine (mg/kg/day):50 | time point (weeks):3	gender=female; disease=HSAN1C
SUBJECT_SAMPLE_FACTORS           	Patient_V	week6_100	L-serine (mg/kg/day):100 | time point (weeks):6	gender=female; disease=HSAN1C
SUBJECT_SAMPLE_FACTORS           	Patient_V	week9_200	L-serine (mg/kg/day):200 | time point (weeks):9	gender=female; disease=HSAN1C
SUBJECT_SAMPLE_FACTORS           	Patient_V	week12_300	L-serine (mg/kg/day):300 | time point (weeks):12	gender=female; disease=HSAN1C
SUBJECT_SAMPLE_FACTORS           	Patient_V	weel15_400	L-serine (mg/kg/day):400 | time point (weeks):15	gender=female; disease=HSAN1C
SUBJECT_SAMPLE_FACTORS           	Patient_V	week18_400	L-serine (mg/kg/day):400 | time point (weeks):18	gender=female; disease=HSAN1C
SUBJECT_SAMPLE_FACTORS           	Patient_V	week21_400	L-serine (mg/kg/day):400 | time point (weeks):21	gender=female; disease=HSAN1C
SUBJECT_SAMPLE_FACTORS           	Patient_V	week30_400	L-serine (mg/kg/day):400 | time point (weeks):30	gender=female; disease=HSAN1C
SUBJECT_SAMPLE_FACTORS           	Patient_V	week38_400	L-serine (mg/kg/day):400 | time point (weeks):38	gender=female; disease=HSAN1C
SUBJECT_SAMPLE_FACTORS           	Patient_V	week44_400	L-serine (mg/kg/day):400 | time point (weeks):44	gender=female; disease=HSAN1C
SUBJECT_SAMPLE_FACTORS           	Patient_V	week52_200	L-serine (mg/kg/day):200 | time point (weeks):52	gender=female; disease=HSAN1C
#COLLECTION
CO:COLLECTION_SUMMARY            	None
CO:SAMPLE_TYPE                   	Blood
CO:BLOOD_SERUM_OR_PLASMA         	Serum
#TREATMENT
TR:TREATMENT_SUMMARY             	Oral L-serine
TR:TREATMENT_COMPOUND            	L-serine
TR:TREATMENT_ROUTE               	Oral
TR:TREATMENT_DOSE                	0-400 mg/kg/day
TR:TREATMENT_DOSEDURATION        	52 weeks
#SAMPLEPREP
SP:SAMPLEPREP_SUMMARY            	None
#CHROMATOGRAPHY
CH:CHROMATOGRAPHY_TYPE           	None (Direct infusion)
CH:INSTRUMENT_NAME               	None
CH:COLUMN_NAME                   	none
#ANALYSIS
AN:ANALYSIS_TYPE                 	MS
#MS
MS:MS_COMMENTS                   	-
MS:INSTRUMENT_NAME               	Waters Xevo-TQ-S
MS:INSTRUMENT_TYPE               	Triple quadrupole
MS:MS_TYPE                       	ESI
MS:ION_MODE                      	POSITIVE
#MS_METABOLITE_DATA
MS_METABOLITE_DATA:UNITS         	µM
MS_METABOLITE_DATA_START
Samples	week-1_0	week0_0	week3_50	week6_100	week9_200	week12_300	weel15_400	week18_400	week21_400	week30_400	week38_400	week44_400	week52_200
Factors	L-serine (mg/kg/day):- | time point (weeks):-	L-serine (mg/kg/day):- | time point (weeks):-	L-serine (mg/kg/day):50 | time point (weeks):3	L-serine (mg/kg/day):100 | time point (weeks):6	L-serine (mg/kg/day):200 | time point (weeks):9	L-serine (mg/kg/day):300 | time point (weeks):12	L-serine (mg/kg/day):400 | time point (weeks):15	L-serine (mg/kg/day):400 | time point (weeks):18	L-serine (mg/kg/day):400 | time point (weeks):21	L-serine (mg/kg/day):400 | time point (weeks):30	L-serine (mg/kg/day):400 | time point (weeks):38	L-serine (mg/kg/day):400 | time point (weeks):44	L-serine (mg/kg/day):200 | time point (weeks):52
Glutamine	1427.52230111743	1426.37096961577	1628.14977384203	1644.30328876179	1717.31256468427	1532.91841839992	1692.22285682277	1353.02525027566	1469.39006376556	1579.04470552842	1690.79489604436	1645.14906632775	1647.88368231488
Alanine	429.108896676877	416.116890012941	460.116443690232	381.785280954441	393.498568115354	398.631458950147	444.320040424188	433.467483194059	360.173700658959	476.84231534577	412.598853225546	446.216968087971	425.594285020981
Valine	306.547625428131	371.144823529764	423.454666443581	410.190568880858	459.676813546521	435.274260463102	392.702963356044	428.984104823804	397.622975512965	365.646458191269	365.294371075785	364.195574339609	508.367364563369
Acetoacetic acid	304.183583428337	180.717220873714	181.24237142669	520.322719725919	328.695104569126	337.884866812903	342.436736789225	195.357965882228	363.779203389284	247.405999624058	432.33449042152	430.355115248357	418.574324744371
Proline	244.324551630401	262.846586087043	294.92307766648	246.557756557928	357.784641591989	219.563561743545	242.916414066646	313.187845107771	207.482406297777	251.07779774707	265.577951453726	274.505730461551	370.959664196062
Glycine	208.399804947295	202.222576204391	259.877795119705	216.422432297845	222.417125657326	166.975414818856	332.742092483493	234.110092292854	239.446266866197	315.552753019017	301.184928654734	239.007574205511	208.445158912671
Lysine	183.04845134883	216.618248467392	212.348019955165	235.086693843826	226.224763703331	229.600002135443	214.286885650393	247.276643122269	217.371115247999	240.180642033193	219.521793596724	226.094118408797	243.496040156728
Glyceraldehyde	181.410272935776	168.026319354008	242.481344874854	224.481305710868	182.386384758976	178.839744799645	191.034361644182	284.070377305912	169.2517322761	186.041131093692	178.838323078074	170.390386860769	199.0570809326
Taurine	140.121170105293	180.615483636384	181.944663707611	184.654489812491	158.372021061465	145.920209808347	157.852410018076	182.447564711289	136.242529116424	174.231376568752	96.6180735405568	144.528957018994	127.101993410949
Tyrosine	130.844612402391	121.488073338986	147.146774296536	133.320861077393	133.785489060383	133.235017672177	131.446272836077	128.402112379555	130.124685337033	133.6030718243	150.937828709028	167.711704091111	159.863626506787
Threonine	112.497426994618	139.522821615972	147.669775372042	158.867891238744	146.132183388596	141.133797850519	132.87292506072	131.246821776129	151.793706547475	129.3475412702	114.946337650892	127.654647146103	147.380773962875
Betaine	105.718081125391	90.9873752827995	108.405694245079	92.5171289715466	112.483454438051	89.1492912660265	110.470795957317	80.6366956787349	97.732685215849	78.2032955719575	93.3232514779617	70.4146728167146	74.7070317379519
Leucine	103.876035811839	106.037710849113	113.491814520098	137.227324367622	132.29289665439	116.937615334144	122.679993731246	138.410065369952	126.323994875915	130.160368500206	126.810345823839	128.597100865341	137.173477770467
Arginine	95.9879434624256	110.210648189775	105.144463054658	113.517428087061	107.789644599315	95.6731455102446	101.59363864385	102.161745278443	104.605257410676	106.846864649441	133.304532661476	108.315887298979	115.395153934504
Creatine	94.4880582528931	67.3508620882301	80.819047773237	125.608950911094	83.0307298176136	104.594469529911	78.4371659142934	142.96373191338	111.38592126635	99.6635349254819	80.2688586380446	91.3076151607018	104.408964854845
Serine	86.7693624667212	114.090774318742	139.727164965793	186.800840173455	168.108727702319	236.011686497273	373.096894645453	257.897684267987	310.828888033469	309.633982290708	336.889144827391	326.353104661971	171.321957535417
Creatinine	59.8950295949243	39.0577960089021	46.68725192248	42.8319610428949	54.5397508417603	45.7936204835649	49.297528189595	38.1504725934304	50.9914768861127	54.8948577376216	53.9346238546038	52.1683854136437	47.451862132693
Carnitine	56.5730239584951	39.7055603309723	37.557473162535	51.1753705470228	46.0801220350475	39.6754930197967	38.9550072482455	46.3360231576395	45.2463686552527	49.5587684156229	44.6104115054168	48.9142516410737	40.1146470795969
Histidine	56.2696372870243	74.5512432353465	80.6271779875076	81.8074231799318	75.4901772317237	67.5430037735409	67.7371425644814	76.9122882103301	66.9953460150084	67.5715845116724	74.7398877147148	73.931488759235	77.3829869145167
Ornithine	54.9035121344729	93.2798906296178	110.711014835248	100.642347497432	74.255268045755	92.6208772066813	85.191367507853	92.7957202836002	79.9806728561192	83.4380764115196	57.5390661664194	84.1091876580941	102.950139841908
Phenylalanine	49.5923832918787	48.2658000931784	54.7073349660104	62.193909013697	52.1022122386643	52.6545781458946	56.1820593765606	62.8242739495015	49.9556700069001	50.768680850637	55.5113743464575	51.5074605592272	55.6335946323002
Cysteine	47.8495605589279	51.2330412705437	48.5940258033744	55.7236470314065	52.9612302216482	48.4101136778886	45.5007704403429	52.6421170269617	48.0673431881819	50.8006738371049	49.0733442498433	49.3550172755682	49.9333360893572
Choline	44.7307003788852	46.2712420741569	48.6039646543935	45.1513615690607	44.794077154991	49.0442305732795	47.267538826392	44.8483671729585	48.7880051257769	39.0303445468155	39.9419692345807	30.096802982639	40.9360855490807
Isoleucine	38.6827500606718	49.0692468078499	54.6722068374499	73.6304121064909	57.786788910164	66.4457702635962	52.1951947156342	52.9934958818109	60.41745339159	55.0258444977554	54.0637685134865	51.5377917639421	62.1335114133389
Citrulline	38.0773283234708	44.8244733473962	47.1147067882106	42.2015075551147	45.9358142503201	39.1248355584862	36.7273807450929	44.4262910689154	35.9297254653124	36.9260549694405	41.9417981326873	40.1027180063966	57.1725729762117
Sorbitol	29.320574024772	7.2505819052507	6.54131850353935	6.74211591437369	5.12192394510689	7.2520153486529	5.13753804316226	8.85524215826686	4.97838188855575	4.97127508486822	5.74319808725267	4.92258194615601	4.29762259127892
Asparagine	27.4347297292703	33.9413578725598	35.6672114484026	34.7632823385207	32.4856220960207	36.9738106973419	37.0323551522456	41.099078201617	33.8144926218804	38.8608262301452	35.4772884204649	35.1282177707115	32.5870734040462
Tryptophan	25.9239221246224	31.1932820341689	34.3029071594213	33.6903436963267	31.9889658023896	30.0829868707744	31.435386157375	32.9502383837035	31.1011118562404	29.8876660583366	31.7573276565402	30.7920960351026	33.6708424838363
Chenodeoxycholic Acid	20.1551487590398	12.4986150645937	10.7293823878389	28.7341977926969	12.7036635077122	14.0030123020603	9.26153184450067	19.2398933057795	13.12086223463	16.390240221265	22.6403494509395	13.3677034551938	28.0214824511732
L-Glutamic Acid	15.9530673675687	31.2808642632248	34.6368546634856	23.0893029012188	23.1557822605678	28.9423970359781	28.3792197545538	35.1404548512871	26.6953253273126	31.5703786090638	19.7324080661387	22.941914026983	17.6670189519624
L-Methionine	15.707067516516	15.339200280473	19.8076355795829	21.749533931514	20.0394621826765	17.4789234636486	20.8846289555976	20.6991354693924	15.7326896093913	15.9095484704248	17.8176194873789	15.9827247382937	18.2595217574306
Gamma-Glutamylcysteine	14.4193159956225	9.77929316163701	11.092609636268	9.74751308720621	8.76398236796522	8.69584736001858	8.01734457047226	12.3601375300217	7.87203680848441	9.998702443595	9.91550319248983	9.94364417446662	11.5931048187755
Aspartate	12.7777124745559	13.6944765034907	16.3441954481618	16.7368591530872	11.220271973529	12.9916371102146	18.3945044790602	19.1299888018045	11.5841317710812	16.6848287128894	13.8490720053035	12.7977293861778	11.0535896546347
Acetylcarnitine	12.7585820485327	11.3830461982927	9.95034097626096	13.9784086564669	11.7899028737569	12.7179697381719	9.46548444226283	8.07677876171426	12.0399573340823	11.0532933405712	10.4188226109671	12.4599149136404	11.3313761537738
Myoinositol	12.0140971469574	12.7429516000713	14.5935777004303	11.7235050312977	12.6093430932669	14.7844049471801	12.6918751416342	16.2804225856356	10.3699316771147	11.6904722189911	10.3033495677092	16.055973844988	11.9403675544587
Succinate	9.69303439543816	4.27929765771212	6.24794691427681	5.99186059828491	5.91018410246482	5.46308154183975	5.85067209970131	4.58587258766584	5.16756344041769	5.05558021995565	5.30931113492702	5.21766231176459	6.42958391815554
Hydroxyproline	6.06293035684905	10.8382194624721	11.0471036911429	13.4831122373585	8.8604041487112	8.33749922925489	12.987630240091	8.51707587747838	7.46477274229901	9.71565748825124	9.64165222327908	9.88146163381726	13.8462561259882
Hippuric acid	5.20705433259501	14.0809937468224	44.4040155135444	3.28612629132075	52.0955575331988	28.180160351512	5.26888896145373	3.81321177154631	3.48189499435667	28.2438323713475	12.1745861205619	5.10672384962473	5.43051235010722
Hypoxanthine	4.51963187806971	5.64601143501179	5.91522196365084	5.97743228786983	6.11684868975303	4.48684704455715	5.87311624025176	7.33009335378431	5.14308032755401	7.25449711435761	4.67109633872578	6.77461095153253	4.2498553332467
Xanthine	3.26891259022555	4.42253385426437	4.87688129016255	5.01187133629924	4.85315624526584	5.25889595125367	4.56354889100971	5.64014104476705	4.43769499329595	4.41613394611785	3.64319211053527	5.85346254631679	3.80887935227299
Phosphoethanolamine	2.60181087966041	2.291016076554	2.79315376941628	2.17932197817559	3.12059170939617	2.31222597105276	2.53886195506482	2.09943208468749	2.36170154240608	1.96125930156874	2.39880999373071	1.91619448059262	2.20266633547746
Sucrose	2.24682132937571	1.27004212612421	2.06031160563742	1.45403516116926	1.83057388063964	1.400772557954	1.30151973418179	2.67289584824731	1.12055198693873	1.26406462510483	2.1373439097278	1.73375005605917	1.63781189544391
Trimethylamine-N-Oxide	2.0008815159047	3.22623045194788	1.85569395212871	2.72366221462548	3.57536531377052	2.76590368308439	5.90143020607083	1.9825515693265	3.09696170078885	3.57889542702868	2.88354304226466	4.31501062903781	2.4277587964994
Allantoin	1.96772429013135	1.33143309447304	1.61877714161243	2.81888604040631	1.15910132894581	1.09613784683532	0.887866720601861	3.51594512694886	0.836007741667318	1.66985785622182	0.317038311187674	1.31181830253831	0.867992507225409
D-Glucuronic acid	1.959955730969	2.18706559807409	1.4577104719783	2.13554084254715	1.99120143938666	1.5394193136346	1.68050170084259	1.40603626477	1.2087703523815	1.44299721162329	1.24108283659374	2.15814927448321	2.63911570615136
Guanidinoacetic Acid	1.53420018525665	1.81859072097815	2.69835693109559	2.27369759168485	3.40853449257211	1.64240681583878	3.33938681627875	1.54624592575253	1.96751366305202	2.8336280339408	2.93303529380608	2.05531087941808	2.13570124684093
2-Aminoisobutyric acid	1.52468387107842	1.65962031966907	1.48898737331721	2.33142083937282	1.58119281453078	2.56115336927007	2.19611568545057	2.2488890617276	2.33781496604437	1.61785958948038	1.41254893641514	1.89175913699355	2.14580681323208
S-5-Adenosyl-L-Methionine Chloride	1.40469561425242	3.9139842687094	7.14864305746204	1.92810054270964	5.53252158558993	3.2674078485347	1.5330789114601	6.63210273288657	1.4792038783701	5.15460796631148	5.13856709333595	3.35250866384317	2.30518353928706
L-Kynurenine	1.20687339223294	1.34630693555776	1.40316837088619	1.52191323274642	1.45000024100752	1.38802550554475	1.44187855188438	1.42100725255786	1.34181838074059	1.21015570801466	1.37682334143466	1.37058069399622	1.53690712035838
Aminodipic Acid	1.0955690848188	1.93664444092656	1.87932111148377	1.98862843718177	2.96189574937051	1.37751691975706	1.93783647810331	1.86794709008887	1.90305631006059	1.54909577088678	1.72377267697068	1.78641050549317	2.82381190120232
Symmetric dimethylarginine	1.07275061129381	1.39405784445391	1.08027498853225	1.1460502152004	1.12429333742615	1.14772724602475	1.35525362679559	1.31941265829297	1.23836606243675	1.46194049038805	1.34643808423221	1.38815113411683	1.04202978114871
Asymmetric dimethylarginine	0.787699894097235	0.910830564356738	0.837867356013732	0.942946446692001	1.12957177957829	0.742885079236615	0.960805093523532	0.924459531675538	0.86805391085196	0.79487303479134	0.863250380083701	1.15301558216406	1.10167568276859
DimethylGlycine	0.723661835423679	0.596642848690357	0.725631498116129	0.619774256861791	1.0477732274365	0.651288859940992	1.15993727041544	0.421352571834181	0.75172225171218	0.363989784456027	0.893974590303368	0.500061457357113	0.52171804420218
Uracil	0.658179001497626	0.199862042524912	0.233443150339951	0.588669143295684	0.608244733258039	0.635889786661329	0.652448254230945	0.262257561830367	0.359198239892919	0.274683107305788	0.79594902223588	0.523194016814209	0.382156934550091
UDP-Glucose	0.439395470538673	1.62087078348587	4.59247781955348	9.41287519037925	1.96812149663346	1.10541733177504	1.82977098127991	9.54059952969976	0.811497126039837	4.28230654260831	1.63463446386383		0.885292076206454
Propionylcarnitine	0.385678886282178	0.31628772786161	0.266649584537997	0.423683521530503	0.364640935020138	0.324540794556351	0.270665585742135	0.351588931106692	0.370793890993449	0.389786997605676	0.306243119345299	0.397008430963574	0.449253290665101
Inosine	0.36052565946727	0.460148616398386	0.430817904961333	0.44767849451945	0.416889267481242	0.314110545336372	0.402886025622575	0.795562442037061	0.89249964133945	0.880913581346637	2.23356183908447	0.966227418466926	1.27545510722552
Homogentisic acid	0.334279024063543	0.272538599399394	0.16142368765684	0.713885933878106	0.315569443808692	0.294384295682969	0.465638844211633	0.239296959671785	0.225389743051051	0.28182197891516	0.422923396670499	0.32688802575676	0.239951556945333
Pantothenic Acid	0.295955461265711	0.19112715787755	0.163615946556907	0.190401497194076	0.161206205419333	0.182099756418984	0.213983187455151	0.21646138714777	0.204357914615861	0.218232181771594	0.187088103129911	0.200387318423267	0.183569333400611
GABA	0.291791458867253	0.175173843593568	0.219389375068914	0.304065465300501	0.269407164130886	0.376060032679712	0.294906048642014	0.354849773341308	0.185458781790598	0.21553737463097	0.262508493321369	0.822552486465312	0.213655036885475
Cytidine	0.280736583222154	0.235143576586292	0.194133319151219	0.281263146864614	0.238611491825309	0.231099732363333	0.210407426726016	0.210123576012502	0.271414761239219	0.25371317253994	0.240672494832128	0.284212726018085	0.231317762621539
Isobutyrylcarnitine	0.25635627368384	0.171475247464099	0.189818547727693	0.247842213561493	0.247007247299494	0.168611269922944	0.182100517616784	0.239033968434918	0.230493950812198	0.273721841433383	0.226933447011034	0.284122146582835	0.280483770280552
Carnosine	0.218600446498278	0.256896545112974	0.267024512063853	0.365115419925655	0.206154988419775	0.223049675647878	0.180109749391949	0.234884802093533	0.276444848136067	0.195606865634691	0.224677226668805	0.231134358436614	0.279514197072272
Octanoylcarnitine	0.206939421284638	0.12545887384789	0.121030053390684	0.31121516332306	0.204808573706171	0.208541038745578	0.201479994809088	0.117753701149936	0.203394972208037	0.164388623479985	0.226876076896245	0.254765111379124	0.24427799878706
Glycocholic Acid	0.192420499053605	0.316434849842552	0.175262010591619	0.292768858491926	0.167841136260551	0.19660696392384	0.118699603548654	0.17108414215849	0.24698423446961	0.324019056478618	0.202989818474453	0.163581601674923	0.421105068035513
Decanoylcarnitine	0.179602291348129	0.0981788639165036	0.111743090802028	0.204227897829028	0.164969040968587	0.15523363116698	0.160223464864578	0.108209286136342	0.166545612709023	0.158006113463039	0.187364607341786	0.191424993313131	0.177086755351819
deoxycytidine	0.16790654842012	0.178624737217775	0.1433568760508	0.208247274621975	0.177739627953877	0.169738416349382	0.140203949518705	0.171587898393349	0.178571894873662	0.173595907469656	0.144550232322026	0.179360126506686	0.220541926685677
Taurochenodeoxycholic Acid	0.142574530221309	0.146602195107806	0.174549502828431	0.296362832545799	0.0804271202620859	0.171621384447497	0.0745508553307175	0.0908197374157568	0.185741243945161	0.255327116056771	0.162001854636535	0.0929947966234821	0.349461515524817
Niacinamide	0.142542264432787	0.148007326821513	0.225771805279385	0.175717733116374	0.204108199648512	0.22151938042219	0.169810221898575	0.171285051328816	0.242117831464555	0.305519109971246	0.127031974924753	0.0836637961788349	0.166606564636219
3-Hydroxyanthranilic acid	0.104624472925304	0.175839944472449	0.142600830447279	0.182452482981093	0.138066144948269	0.187705922665826	0.217691040468363	0.206321656076031	0.17784592206351	0.227420358491457	0.0748288448626394	0.222487091125818	
Dodecanoyl Carnitine	0.103212538472415	0.209218777887395	0.219630339064375	0.415929342519787	0.331894002488351	0.417336388979911	0.30846944640998	0.16888344603052	0.357302406681307	0.297574304047947	0.419235756044094	0.374256879554845	0.45699295929391
D-Ribose 5-phosphate	0.0983918078125234	0.191084090172492	0.280594028801515	0.257348138187625	0.283402490618716	0.43354651123613	0.177498264818386	0.183849909887938	0.235667334654528	0.20366130385231	0.174398522905593	0.117503260054652	0.151652590664734
Isovalerylcarnitine	0.0818884751736137	0.0556161266682717	0.0693172318738987	0.0897934295911502	0.0964094440727004	0.0823657092638365	0.0728128696116845	0.0782949432634745	0.0940681417839151	0.0935297238359714	0.0890673811461959	0.104604002083449	0.137753416196617
Guanosine	0.08186040794029	0.0699243451789955	0.0423714332115206	0.0497789276212379	0.115393714774551	0.0667840196996256	0.0439186351912327	0.0729692951938626	0.178641777438351	0.0576527020796355	0.635928273058542	0.100133640454104	0.419591992593919
Hexanoylcarnitine	0.0697203309944741	0.048213904599167	0.0434295542708246	0.0834521881062247	0.0633347666449525	0.0661899434538021	0.0569723523776649	0.0428315104797818	0.0636627261432663	0.0573466120404465	0.0631842911104321	0.0759631365035532	0.0737638786913312
Spermidine	0.064949962281763	0.109618561712708	0.12838433358962	0.126393398173898	0.114936908221143	0.185783897201377	0.11056925059634	0.234909711905583	0.121398837009888	0.139827045442612	0.0896540951564344	0.12868056273452	0.0962813611423334
Xanthosine	0.0627825646632958	0.0752968353320941	0.0959709033033605	0.121259938601433	0.0692491512226721	0.0786902971955882	0.059674238080863	0.112751642622112	0.0656444780398733	0.0797850758673171	0.0591778914804971	0.0840022618760992	0.0707945140422508
5-Hydroxyindole-3-acetic acid	0.0528372910872	0.0588773340703233	0.0405583128910067	0.0543603868481089	0.0711510782604653	0.0510891330660881	0.0385850926096918	0.0409194593085418	0.0286771191547072	0.0511781111689591	0.0578043628298204	0.036098939735356	0.0304095751576654
Cytosine	0.0518806819241499	0.0382913833607855	0.0217482810010106	0.0198211041338403	0.0557260301591112	0.00673611353571674	0.00491700266109805	0.00702428951585436	0.00409750221758171	0.00450274968965023	0.0102302472948853	0.011599083200539	0.0059076075928211
3-OH-DL-KYNURENINE	0.048371179627364	0.0486434041828829	0.0627142898148673	0.0518743972680579	0.0699304718849335	0.0656552075539976	0.0624599160498743	0.0551901816082306	0.0629463500917031	0.0657355361113638	0.0478356559115892	0.0585639810176122	0.067534003256841
4-Pyridoxic Acid	0.0476528233912725	0.0288386168385335	0.0238236802486919	0.0360168594083068	0.028712970279093	0.0133403868762453	0.0132912208312468	0.0123024370373892	0.0108711588385455	0.00898646044693836	0.048800031107903	0.0384259956132307	0.037879706224359
Palmitoyl Carnitine	0.0392602830783605	0.0282394573462604	0.12010972174834	0.0104749179816802	0.10032432204161	0.117027095873263	0.152974369989213	0.016304611756806	0.152110433411714	0.12801787163745	0.105397758290924	0.0394030204259473	0.0833586109907171
Kynurenic Acid	0.0285967309577709	0.0227938057153228	0.0213073681646136	0.0304322961894295	0.0287025272247253	0.0266659490858533	0.0191015159986146	0.0185090569036701	0.0182445662362841	0.0157477743361606	0.0137535147040704	0.0215983078987382	0.0199320166942066
Taurocholic Acid	0.0271632559832078	0.0283489921699435	0.0237554773516073	0.0395290677375123	0.0136466397137899	0.0310911283922964	0.0153447070843198	0.0116982286966333	0.0290922605161298	0.0370295125680923	0.0330958182137334	0.0233479411826801	0.0463562688912542
L-5-Hydroxytryptophan	0.0249631059243607	0.0407524748881673	0.0228411964837571	0.04142494297641	0.0348411168962501	0.0421201295811474	0.034777505050065	0.0316468934770973	0.0467092699130739	0.024004384528285	0.0352227879733608	0.049017471188934	0.0414567488995026
IMP	0.0236404792915823	0.10766359261232	0.202622007851357	0.259355710341827	0.164471997638228	0.0737658805702581	0.102922854786468	0.370260243722366	0.0626007246967665	0.153341319858015	0.140871742788804	0.0976132284215139	0.109059955390117
AMP	0.0228978547646151	0.0277788118517245	0.0810688362472897	0.111074908918575	0.0433984507945933	0.0320719795375527	0.0280813505141486	0.120877161581117	0.0164667471976564	0.0608419656737905	0.040462385108782	0.0297352285354005	0.0232464945565515
Cystathionine	0.021088189389539	0.0139552207811619	0.0156348907880588	0.0197282420917297	0.0177198431022498	0.0191293249042839	0.0314949384135032	0.029522564518005	0.0357143775461101	0.023627958515249	0.0156168782410679	0.0203361655526709	0.026591022495244
Myristoyl Carnitine	0.0156152556986809	0.0312358978256815	0.0452890893116623	0.0248852988368078	0.0443329982849235	0.0592453250878894	0.0529647496671712	0.0246698417040216	0.0550600702835172	0.0523372307679314	0.0504223555002939	0.0418794801853205	0.0566194412820574
cAMP	0.0137120967385021	0.00720553665048504	0.00429110828784685	0.00678918974153673	0.00736964419123839	0.00468010394000294	0.00456765988430157	0.00137971895374113	0.00521801199025003	0.00408445434763893	0.01466939072623	0.0204557010520518	0.0131559545170602
S-Adenosyl-L-Homocysteine	0.00941628929038963	0.0156018307208474	0.0232140037606868	0.0152633962149722	0.0168956918702319	0.0208085154266199	0.014443343373813	0.0274288150300097	0.0167733347796462	0.019043449311363	0.0149718218714489	0.0134488665950105	0.0118894645256316
Stearoyl Carnitine	0.00757430133387963	0.00457453169840428	0.0326651982146925	0.00577724744928909	0.0325669218303789	0.0215623067011742	0.0479518558032731	0.00376960131259811	0.0477670026042072	0.0244427407271259	0.0250651578277784	0.00790890902332812	0.0174042796791463
Neopterin	0.00555553140870654	0.00808831635392765	0.00505766728530894		0.00109451081096139	0.00491146909034298	0.00175832964215819	0.00623515545016993	0.00703331856863274	0.00397896168461414	0.00204282342695681	0.0068555099531336	0.00369446789981551
NAD	0.00518583366423766	0.00407006631661858	0.0140457190534288	0.0450568236745016	0.00680301872677867	0.00316359945660956	0.00546138754360917	0.0456907481729464	0.00348131458528381	0.0160423553596945	0.00491329130267348	0.00491780857938449	0.00165934631184376
1-methylhistamine	0.00459649566847432	0.00464445910153666	0.00481233111725485	0.00439664803071457	0.0056676790068666	0.00498020313297305	0.00557175214074192	0.00311762314905215	0.00446859318030808	0.0039649771331535	0.00508412390460812	0.00504415437705617	0.00545983746359645
cGMP	0.00456458993880215	0.00179975260444199		0.00180265075678409	0.00171860433886329				0.00259384634617646				0.00996964405681232
Arachidyl Carnitine	0.00154590234481484	0.00173035660186661	0.00182038784637997	0.0020729145078199	0.00187308906268048	0.00173035660186661	0.00179623312224224	0.00176768663007947	0.00234520412537251	0.00175451132600434	0.00181599607835493	0.00196312030719384	0.00214098691220805
Normetanephrine	0.00148561191144842	0.000933969253153235	0.00110328531659037	0.00113059435908023	0.00107597627410051	0.00115244159307212	0.000824733083193792	0.000775576806712043	0.00105412904010862	0.00074280595572421	0.00104866723161065	0.00112513255058226	0.0009995109551289
Adenosine	0.00148260887990393	0.00299891341616931	0.00304009699616664	0.00186449298533373	0.00294275398890022	0.00454142568516027	0.000932246492666865	0.00242983121984255	0.00297270568344374	0.0027780196689109	0.00137777794900163	0.00181582148170052	0.00299516945435137
Adenine	0.000858912583053793	0.000621971180832057	0.00173263400374644	0.00770799999102584	0.000910743514789797	0.000762655138401212	0.00128836887458069	0.001517905857983	0.000969978865345231	0.000658993274929203	0.0011402804981921	0.000762655138401212	0.000932956771248085
5-Deoxy-5Methylthio Adenosine													
Homocysteine				0.168415097078248									
Pyridoxine													
Cotinine			0.0129589175340089	0.081507161860486									
Glutathione				0.111230224091176	0.122474711715582	0.05943654448904		0.142420407255543	0.0746734276615262		0.102086140323631		0.0508688506170991
Folic Acid													
Homoserine													
Nicotinic Acid				0.0930733255896587									
Orotic acid													
2-deoxyuridine													
Cholic Acid			2.76639087567415	1.18643093533142									1.21126637196866
MS_METABOLITE_DATA_END
#METABOLITES
METABOLITES_START
metabolite_name
Glutamine
Alanine
Valine
Acetoacetic acid
Proline
Glycine
Lysine
Glyceraldehyde
Taurine
Tyrosine
Threonine
Betaine
Leucine
Arginine
Creatine
Serine
Creatinine
Carnitine
Histidine
Ornithine
Phenylalanine
Cysteine
Choline
Isoleucine
Citrulline
Sorbitol
Asparagine
Tryptophan
Chenodeoxycholic Acid
L-Glutamic Acid
L-Methionine
Gamma-Glutamylcysteine
Aspartate
Acetylcarnitine
Myoinositol
Succinate
Hydroxyproline
Hippuric acid
Hypoxanthine
Xanthine
Phosphoethanolamine
Sucrose
Trimethylamine-N-Oxide
Allantoin
D-Glucuronic acid
Guanidinoacetic Acid
2-Aminoisobutyric acid
S-5-Adenosyl-L-Methionine Chloride
L-Kynurenine
Aminodipic Acid
Symmetric dimethylarginine
Asymmetric dimethylarginine
DimethylGlycine
Uracil
UDP-Glucose
Propionylcarnitine
Inosine
Homogentisic acid
Pantothenic Acid
GABA
Cytidine
Isobutyrylcarnitine
Carnosine
Octanoylcarnitine
Glycocholic Acid
Decanoylcarnitine
deoxycytidine
Taurochenodeoxycholic Acid
Niacinamide
3-Hydroxyanthranilic acid
Dodecanoyl Carnitine
D-Ribose 5-phosphate
Isovalerylcarnitine
Guanosine
Hexanoylcarnitine
Spermidine
Xanthosine
5-Hydroxyindole-3-acetic acid
Cytosine
3-OH-DL-KYNURENINE
4-Pyridoxic Acid
Palmitoyl Carnitine
Kynurenic Acid
Taurocholic Acid
L-5-Hydroxytryptophan
IMP
AMP
Cystathionine
Myristoyl Carnitine
cAMP
S-Adenosyl-L-Homocysteine
Stearoyl Carnitine
Neopterin
NAD
1-methylhistamine
cGMP
Arachidyl Carnitine
Normetanephrine
Adenosine
Adenine
5-Deoxy-5Methylthio Adenosine
Homocysteine
Pyridoxine
Cotinine
Glutathione
Folic Acid
Homoserine
Nicotinic Acid
Orotic acid
2-deoxyuridine
Cholic Acid
METABOLITES_END
#END