#METABOLOMICS WORKBENCH Madjihounoum_20221203_061829 DATATRACK_ID:3623 STUDY_ID:ST002435 ANALYSIS_ID:AN003968 PROJECT_ID:PR001567
VERSION             	1
CREATED_ON             	January 11, 2023, 1:34 pm
#PROJECT
PR:PROJECT_TITLE                 	Multiomics study of CHCHD10S59L-related disease reveals energy metabolism
PR:PROJECT_TITLE                 	downregulation: OXPHOS and β-oxidation deficiencies associated with lipids
PR:PROJECT_TITLE                 	alterations
PR:PROJECT_SUMMARY               	Mutations in the coiled-coil-helix-coiled-coil-helix domain containing 10
PR:PROJECT_SUMMARY               	(CHCHD10) gene have been associated with a large clinical spectrum including
PR:PROJECT_SUMMARY               	myopathy, cardiomyopathy and amyotrophic lateral sclerosis (ALS). Herein, we
PR:PROJECT_SUMMARY               	analyzed the metabolic changes induced by the p.S59L CHCHD10 mutation to
PR:PROJECT_SUMMARY               	identify new therapeutic opportunities. Using metabolomic, lipidomic and
PR:PROJECT_SUMMARY               	proteomic analysis we observed a strong alteration of metabolism in plasma and
PR:PROJECT_SUMMARY               	heart of Chchd10S59L/+ mice compared to their wild type littermates at
PR:PROJECT_SUMMARY               	pre-symptomatic and symptomatic stages. In plasma, levels of phospholipids were
PR:PROJECT_SUMMARY               	decreased while those of carnitine derivatives and most of amino acids were
PR:PROJECT_SUMMARY               	increased. The cardiac tissue from Chchd10S59L/+ mice showed a decreased
PR:PROJECT_SUMMARY               	Oxidative Phosphorylation (OXPHOS) and β-oxidation proteins levels as well as
PR:PROJECT_SUMMARY               	tricarboxylic acid cycle (TCA) intermediates and carnitine pathway metabolism.
PR:PROJECT_SUMMARY               	In parallel, lipidomics analysis reveals a drastic change in the lipidome,
PR:PROJECT_SUMMARY               	including triglyceride, cardiolipin and phospholipids. Consistent with this
PR:PROJECT_SUMMARY               	energetic deficiency in cardiac tissue, we show that L-acetylcarnitine
PR:PROJECT_SUMMARY               	supplementation improves the mitochondrial network length in IPS-derived
PR:PROJECT_SUMMARY               	cardiomyocytes from a patient carrying the CHCHD10S59L/+ mutation. These data
PR:PROJECT_SUMMARY               	indicate that a bioenergetic intermediate such as L-acetylcarnitine may restore
PR:PROJECT_SUMMARY               	mitochondrial function in CHCHD10-related disease, due to the reduction in
PR:PROJECT_SUMMARY               	energy deficit that could be compensated by carnitine metabolic pathways.
PR:INSTITUTE                     	INSERM
PR:LAST_NAME                     	Madji Hounoum
PR:FIRST_NAME                    	Blandine
PR:ADDRESS                       	151 Route Saint Antoine de Genistière 06204 Nice
PR:EMAIL                         	madjihounoum@yahoo.fr
PR:PHONE                         	+33 (0)4 89 06 43 01
#STUDY
ST:STUDY_TITLE                   	Metabolomics analysis of plasma from CHCHD10S59L/+ KI mice
ST:STUDY_SUMMARY                 	Mutations in the coiled-coil-helix-coiled-coil-helix domain containing 10
ST:STUDY_SUMMARY                 	(CHCHD10) gene have been associated with a large clinical spectrum including
ST:STUDY_SUMMARY                 	myopathy, cardiomyopathy and amyotrophic lateral sclerosis (ALS). Herein, we
ST:STUDY_SUMMARY                 	analyzed the metabolic changes induced by the p.S59L CHCHD10 mutation to
ST:STUDY_SUMMARY                 	identify new therapeutic opportunities. Using metabolomic, lipidomic and
ST:STUDY_SUMMARY                 	proteomic analysis we observed a strong alteration of metabolism in plasma and
ST:STUDY_SUMMARY                 	heart of Chchd10S59L/+ mice compared to their wild type littermates at
ST:STUDY_SUMMARY                 	pre-symptomatic and symptomatic stages. In plasma, levels of phospholipids were
ST:STUDY_SUMMARY                 	decreased while those of carnitine derivatives and most of amino acids were
ST:STUDY_SUMMARY                 	increased. The cardiac tissue from Chchd10S59L/+ mice showed a decreased
ST:STUDY_SUMMARY                 	Oxidative Phosphorylation (OXPHOS) and β-oxidation proteins levels as well as
ST:STUDY_SUMMARY                 	tricarboxylic acid cycle (TCA) intermediates and carnitine pathway metabolism.
ST:STUDY_SUMMARY                 	In parallel, lipidomics analysis reveals a drastic change in the lipidome,
ST:STUDY_SUMMARY                 	including triglyceride, cardiolipin and phospholipids. Consistent with this
ST:STUDY_SUMMARY                 	energetic deficiency in cardiac tissue, we show that L-acetylcarnitine
ST:STUDY_SUMMARY                 	supplementation improves the mitochondrial network length in IPS-derived
ST:STUDY_SUMMARY                 	cardiomyocytes from a patient carrying the CHCHD10S59L/+ mutation. These data
ST:STUDY_SUMMARY                 	indicate that a bioenergetic intermediate such as L-acetylcarnitine may restore
ST:STUDY_SUMMARY                 	mitochondrial function in CHCHD10-related disease, due to the reduction in
ST:STUDY_SUMMARY                 	energy deficit that could be compensated by carnitine metabolic pathways.
ST:INSTITUTE                     	INSERM
ST:LAST_NAME                     	Madji Hounoum
ST:FIRST_NAME                    	Blandine
ST:ADDRESS                       	151 Route Saint Antoine de Genistière 06204 Nice
ST:EMAIL                         	madjihounoum@yahoo.fr
ST:PHONE                         	+33 (0)4 89 06 43 01
#SUBJECT
SU:SUBJECT_TYPE                  	Mammal
SU:SUBJECT_SPECIES               	Mus musculus
SU:TAXONOMY_ID                   	10090
#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           	-	Plasma_2014	Genotype:Wild-type | Gender:female | Stage:Pre-symptomatic	RAW_FILE_NAME=C18_Neg_Plasma_2014.mzXML
SUBJECT_SAMPLE_FACTORS           	-	Plasma_2015	Genotype:Wild-type | Gender:female | Stage:Pre-symptomatic	RAW_FILE_NAME=C18_Neg_Plasma_2015.mzXML
SUBJECT_SAMPLE_FACTORS           	-	Plasma_2024	Genotype:Wild-type | Gender:female | Stage:Pre-symptomatic	RAW_FILE_NAME=C18_Neg_Plasma_2024.mzXML
SUBJECT_SAMPLE_FACTORS           	-	Plasma_2027	Genotype:Wild-type | Gender:female | Stage:Pre-symptomatic	RAW_FILE_NAME=C18_Neg_Plasma_2027.mzXML
SUBJECT_SAMPLE_FACTORS           	-	Plasma_2012	Genotype:CHCHD10S59L/+ | Gender:female | Stage:Pre-symptomatic	RAW_FILE_NAME=C18_Neg_Plasma_2012.mzXML
SUBJECT_SAMPLE_FACTORS           	-	Plasma_2016	Genotype:CHCHD10S59L/+ | Gender:female | Stage:Pre-symptomatic	RAW_FILE_NAME=C18_Neg_Plasma_2016.mzXML
SUBJECT_SAMPLE_FACTORS           	-	Plasma_2017	Genotype:CHCHD10S59L/+ | Gender:female | Stage:Pre-symptomatic	RAW_FILE_NAME=C18_Neg_Plasma_2017.mzXML
SUBJECT_SAMPLE_FACTORS           	-	Plasma_2025	Genotype:CHCHD10S59L/+ | Gender:female | Stage:Pre-symptomatic	RAW_FILE_NAME=C18_Neg_Plasma_2025.mzXML
SUBJECT_SAMPLE_FACTORS           	-	Plasma_2800	Genotype:Wild-type | Gender:Male | Stage:Pre-symptomatic	RAW_FILE_NAME=C18_Neg_Plasma_2800.mzXML
SUBJECT_SAMPLE_FACTORS           	-	Plasma_2801	Genotype:CHCHD10S59L/+ | Gender:Male | Stage:Pre-symptomatic	RAW_FILE_NAME=C18_Neg_Plasma_2801.mzXML
SUBJECT_SAMPLE_FACTORS           	-	Plasma_2772	Genotype:Wild-type | Gender:female | Stage:Symptomatic	RAW_FILE_NAME=C18_Neg_Plasma_2772.mzXML
SUBJECT_SAMPLE_FACTORS           	-	Plasma_2773	Genotype:Wild-type | Gender:female | Stage:Symptomatic	RAW_FILE_NAME=C18_Neg_Plasma_2773.mzXML
SUBJECT_SAMPLE_FACTORS           	-	Plasma_2768	Genotype:CHCHD10S59L/+ | Gender:female | Stage:Symptomatic	RAW_FILE_NAME=C18_Neg_Plasma_2768.mzXML
SUBJECT_SAMPLE_FACTORS           	-	Plasma_2769	Genotype:CHCHD10S59L/+ | Gender:female | Stage:Symptomatic	RAW_FILE_NAME=C18_Neg_Plasma_2769.mzXML
SUBJECT_SAMPLE_FACTORS           	-	Plasma_2008	Genotype:Wild-type | Gender:Male | Stage:Symptomatic	RAW_FILE_NAME=C18_Neg_Plasma_2008.mzXML
SUBJECT_SAMPLE_FACTORS           	-	Plasma_2018	Genotype:Wild-type | Gender:Male | Stage:Symptomatic	RAW_FILE_NAME=C18_Neg_Plasma_2018.mzXML
SUBJECT_SAMPLE_FACTORS           	-	Plasma_2019	Genotype:Wild-type | Gender:Male | Stage:Symptomatic	RAW_FILE_NAME=C18_Neg_Plasma_2019.mzXML
SUBJECT_SAMPLE_FACTORS           	-	Plasma_2020	Genotype:Wild-type | Gender:Male | Stage:Symptomatic	RAW_FILE_NAME=C18_Neg_Plasma_2020.mzXML
SUBJECT_SAMPLE_FACTORS           	-	Plasma_2007	Genotype:CHCHD10S59L/+ | Gender:Male | Stage:Symptomatic	RAW_FILE_NAME=C18_Neg_Plasma_2007.mzXML
SUBJECT_SAMPLE_FACTORS           	-	Plasma_2009	Genotype:CHCHD10S59L/+ | Gender:Male | Stage:Symptomatic	RAW_FILE_NAME=C18_Neg_Plasma_2009.mzXML
SUBJECT_SAMPLE_FACTORS           	-	Plasma_2010	Genotype:CHCHD10S59L/+ | Gender:Male | Stage:Symptomatic	RAW_FILE_NAME=C18_Neg_Plasma_2010.mzXML
SUBJECT_SAMPLE_FACTORS           	-	Plasma_2021	Genotype:CHCHD10S59L/+ | Gender:Male | Stage:Symptomatic	RAW_FILE_NAME=C18_Neg_Plasma_2021.mzXML
SUBJECT_SAMPLE_FACTORS           	-	Plasma_1674	Genotype:Wild-type | Gender:female | Stage:Symptomatic	RAW_FILE_NAME=C18_Neg_Plasma_1674.mzXML
SUBJECT_SAMPLE_FACTORS           	-	Plasma_1675	Genotype:CHCHD10S59L/+ | Gender:female | Stage:Symptomatic	RAW_FILE_NAME=C18_Neg_Plasma_1675.mzXML
SUBJECT_SAMPLE_FACTORS           	-	Plasma_QC1	Genotype:QC | Gender:QC | Stage:QC	RAW_FILE_NAME=C18_Neg_Plasma_QC1.mzXML
SUBJECT_SAMPLE_FACTORS           	-	Plasma_QC2	Genotype:QC | Gender:QC | Stage:QC	RAW_FILE_NAME=C18_Neg_Plasma_QC2.mzXML
SUBJECT_SAMPLE_FACTORS           	-	Plasma_QC3	Genotype:QC | Gender:QC | Stage:QC	RAW_FILE_NAME=C18_Neg_Plasma_QC3.mzXML
SUBJECT_SAMPLE_FACTORS           	-	Plasma_QC4	Genotype:QC | Gender:QC | Stage:QC	RAW_FILE_NAME=C18_Neg_Plasma_QC4.mzXML
#COLLECTION
CO:COLLECTION_SUMMARY            	Blood was taken by cardiac puncture from mice at pre-symptomatic (16 to 20 weeks
CO:COLLECTION_SUMMARY            	of ages, n=5 mice per group) and symptomatic (40 to 48 weeks of ages, n=7 mice
CO:COLLECTION_SUMMARY            	per group) stages, and transferred to EDTA coated tubes (Sarstedt). Then, blood
CO:COLLECTION_SUMMARY            	was centrifuged at 500 rpm for 10 min at 4°C, plasma was collected and
CO:COLLECTION_SUMMARY            	immediately frozen in microtubes (Eppendorf) and stored at −80°C until
CO:COLLECTION_SUMMARY            	further analyses
CO:SAMPLE_TYPE                   	Blood (plasma)
CO:STORAGE_CONDITIONS            	-80℃
#TREATMENT
TR:TREATMENT_SUMMARY             	Then, blood was centrifuged at 500 rpm for 10 min at 4°C, plasma was collected
TR:TREATMENT_SUMMARY             	and immediately frozen in microtubes (Eppendorf) and stored at −80°C until
TR:TREATMENT_SUMMARY             	further analyses
#SAMPLEPREP
SP:SAMPLEPREP_SUMMARY            	20 µL were precipitated with methanol and centrifuged at 16 000 x g for 10 mins
SP:SAMPLEPREP_SUMMARY            	at 4°C, and the supernatant was dried
SP:PROCESSING_STORAGE_CONDITIONS 	4℃
SP:EXTRACT_STORAGE               	-80℃
#CHROMATOGRAPHY
CH:CHROMATOGRAPHY_TYPE           	Reversed phase
CH:INSTRUMENT_NAME               	Thermo Dionex Ultimate 3000
CH:COLUMN_NAME                   	Phenomenex Kinetex XB-C18 (150 x 2.1mm,1.7um)
CH:SOLVENT_A                     	Water
CH:SOLVENT_B                     	ACN
CH:FLOW_GRADIENT                 	20 minutes
CH:FLOW_RATE                     	0.4 mL/min
CH:COLUMN_TEMPERATURE            	55°C
#ANALYSIS
AN:ANALYSIS_TYPE                 	MS
#MS
MS:INSTRUMENT_NAME               	Thermo Q Exactive Plus Orbitrap
MS:INSTRUMENT_TYPE               	Orbitrap
MS:MS_TYPE                       	ESI
MS:ION_MODE                      	NEGATIVE
MS:MS_COMMENTS                   	The full-scan acquisition ranged from 58 to 870 m/z, the instrument operated at
MS:MS_COMMENTS                   	70,000 resolution (m/z = 200).A targeted analysis was applied on the samples,
MS:MS_COMMENTS                   	based on a library of standard compounds (Mass Spectroscopy Metabolite Library
MS:MS_COMMENTS                   	(MSML®) of standards, IROA Technologies™). The following criteria were
MS:MS_COMMENTS                   	followed to identify the metabolites: (1) retention time of the detected
MS:MS_COMMENTS                   	metabolite within ± 20 s of the standard reference, (2) exact measured of
MS:MS_COMMENTS                   	molecular mass of the metabolite within a range of 10 ppm around the known
MS:MS_COMMENTS                   	molecular mass of the reference compound, and (3) correspondence between
MS:MS_COMMENTS                   	isotopic ratios of the metabolite and the standard reference. The signal value
MS:MS_COMMENTS                   	was calculated using Xcalibur® software (Thermo Fisher Scientific, San Jose,
MS:MS_COMMENTS                   	CA) by integrating the chromatographic peak area corresponding to the selected
MS:MS_COMMENTS                   	metabolite.
#MS_METABOLITE_DATA
MS_METABOLITE_DATA:UNITS	Relative units
MS_METABOLITE_DATA_START
Samples	Plasma_2014	Plasma_2015	Plasma_2800	Plasma_2801	Plasma_2020	Plasma_2769	Plasma_2007	Plasma_2009	Plasma_1674	Plasma_2773	Plasma_2012	Plasma_2016	Plasma_1675	Plasma_2772	Plasma_2010	Plasma_2018	Plasma_2025	Plasma_2008	Plasma_2021	Plasma_2019	Plasma_2017	Plasma_2024	Plasma_2027	Plasma_2768	Plasma_QC1	Plasma_QC2	Plasma_QC3	Plasma_QC4
Factors	Genotype:Wild-type | Gender:female | Stage:Pre-symptomatic	Genotype:Wild-type | Gender:female | Stage:Pre-symptomatic	Genotype:Wild-type | Gender:Male | Stage:Pre-symptomatic	Genotype:CHCHD10S59L/+ | Gender:Male | Stage:Pre-symptomatic	Genotype:Wild-type | Gender:Male | Stage:Symptomatic	Genotype:CHCHD10S59L/+ | Gender:female | Stage:Symptomatic	Genotype:CHCHD10S59L/+ | Gender:Male | Stage:Symptomatic	Genotype:CHCHD10S59L/+ | Gender:Male | Stage:Symptomatic	Genotype:Wild-type | Gender:female | Stage:Symptomatic	Genotype:Wild-type | Gender:female | Stage:Symptomatic	Genotype:CHCHD10S59L/+ | Gender:female | Stage:Pre-symptomatic	Genotype:CHCHD10S59L/+ | Gender:female | Stage:Pre-symptomatic	Genotype:CHCHD10S59L/+ | Gender:female | Stage:Symptomatic	Genotype:Wild-type | Gender:female | Stage:Symptomatic	Genotype:CHCHD10S59L/+ | Gender:Male | Stage:Symptomatic	Genotype:Wild-type | Gender:Male | Stage:Symptomatic	Genotype:CHCHD10S59L/+ | Gender:female | Stage:Pre-symptomatic	Genotype:Wild-type | Gender:Male | Stage:Symptomatic	Genotype:CHCHD10S59L/+ | Gender:Male | Stage:Symptomatic	Genotype:Wild-type | Gender:Male | Stage:Symptomatic	Genotype:CHCHD10S59L/+ | Gender:female | Stage:Pre-symptomatic	Genotype:Wild-type | Gender:female | Stage:Pre-symptomatic	Genotype:Wild-type | Gender:female | Stage:Pre-symptomatic	Genotype:CHCHD10S59L/+ | Gender:female | Stage:Symptomatic	Genotype:QC | Gender:QC | Stage:QC	Genotype:QC | Gender:QC | Stage:QC	Genotype:QC | Gender:QC | Stage:QC	Genotype:QC | Gender:QC | Stage:QC
OROTIC_ACID	181E+05	217E+05	289E+04	915E+05	358E+05	000E+00	105E+06	471E+05	100E+04	467E+03	765E+05	499E+05	262E+06	503E+04	161E+06	898E+05	411E+03	434E+03	688E+05	744E+03	851E+05	144E+05	275E+05	240E+03	500E-05	131E-04	216E-05	147E-04
N-ACETYLNEURAMINATE	101E+06	121E+06	399E+05	977E+05	817E+05	000E+00	115E+06	180E+05	975E+05	132E+06	575E+05	656E+05	208E+06	196E+06	125E+06	801E+05	114E+06	364E+05	181E+06	780E+05	942E+05	104E+06	792E+05	107E+06	157E-04	154E-04	136E-04	408E-05
L-ASPARAGINE	123E+06	364E+06	170E+06	174E+06	129E+06	000E+00	303E+06	223E+06	125E+06	129E+06	206E+06	234E+06	118E+06	751E+05	209E+06	142E+06	375E+06	139E+06	162E+06	206E+06	397E+06	167E+06	238E+06	229E+06	466E-04	457E-04	486E-04	147E-04
N-ACETYL-L-ASPARTIC_ACID	321E+06	597E+06	197E+06	264E+06	199E+06	000E+00	202E+06	220E+06	125E+07	160E+06	252E+06	505E+06	568E+07	324E+06	465E+06	241E+06	450E+06	175E+06	123E+06	249E+06	473E+06	327E+06	438E+06	329E+06	951E-04	749E-04	791E-04	828E-04
CREATININE	182E+05	144E+05	119E+05	162E+05	262E+05	265E+03	422E+05	411E+05	491E+05	288E+05	247E+05	255E+05	111E+06	138E+05	348E+05	197E+05	294E+05	611E+05	348E+05	173E+05	169E+05	207E+05	290E+05	123E+05	658E-05	466E-05	817E-05	644E-05
CITRAMALATE	782E+06	970E+06	178E+06	657E+06	312E+06	000E+00	181E+06	662E+06	832E+06	913E+05	472E+06	108E+07	225E+07	238E+06	108E+07	549E+06	951E+06	984E+05	136E+06	233E+06	121E+07	241E+06	807E+06	384E+06	128E-03	126E-03	133E-03	776E-04
3-UREIDOPROPIONATE	399E+04	000E+00	194E+05	250E+04	100E+05	000E+00	106E+06	801E+05	207E+06	679E+05	131E+06	474E+04	955E+05	346E+04	685E+05	877E+04	126E+06	308E+05	412E+05	000E+00	998E+05	105E+05	393E+05	390E+04	890E-05	790E-05	858E-05	657E-05
MALONATE	228E+05	283E+05	134E+06	289E+06	186E+06	000E+00	807E+05	785E+05	179E+06	448E+05	555E+05	951E+05	371E+05	684E+05	269E+06	222E+06	155E+06	109E+06	933E+05	314E+06	267E+06	472E+06	106E+06	193E+06	261E-04	225E-04	248E-04	243E-04
ALPHA-AMINOADIPATE	143E+06	678E+06	216E+06	173E+06	182E+06	000E+00	227E+06	238E+06	213E+06	125E+06	221E+06	158E+06	145E+06	257E+06	177E+06	169E+06	400E+06	116E+06	213E+06	242E+06	382E+06	139E+06	227E+06	187E+06	532E-04	439E-04	541E-04	492E-04
L-ARABITOL	212E+05	983E+05	254E+05	130E+05	181E+05	410E+03	500E+05	451E+05	262E+05	562E+05	240E+05	737E+05	712E+05	163E+05	253E+05	228E+05	437E+05	315E+05	299E+05	297E+05	699E+05	213E+05	632E+05	294E+05	816E-05	698E-05	803E-05	861E-05
LINOLEATE	925E+06	170E+06	411E+06	264E+07	294E+07	892E+05	307E+07	261E+07	841E+07	787E+07	624E+07	653E+06	107E+08	739E+06	298E+07	372E+07	233E+07	263E+07	407E+07	376E+07	146E+07	107E+08	404E+07	237E+07	565E-03	569E-03	606E-03	601E-03
CYTIDINE_2',3'-CYCLIC_MONO-PHOS-PHAT	503E+05	682E+05	560E+04	194E+05	115E+05	231E+03	302E+05	761E+05	308E+05	121E+04	265E+05	640E+05	278E+05	340E+04	755E+05	571E+04	690E+05	235E+04	151E+05	409E+04	764E+05	778E+04	749E+05	877E+04	907E-05	764E-05	797E-05	758E-05
PALMITATE	102E+07	280E+06	296E+06	129E+07	117E+07	927E+05	118E+07	129E+07	244E+07	183E+07	148E+07	716E+06	139E+07	512E+06	136E+07	168E+07	928E+06	119E+07	150E+07	136E+07	766E+06	174E+07	130E+07	120E+07	209E-03	175E-03	192E-03	187E-03
STEARATE	976E+06	392E+06	223E+06	950E+06	925E+06	130E+06	934E+06	995E+06	118E+07	110E+07	971E+06	922E+06	695E+06	396E+06	112E+07	108E+07	869E+06	893E+06	112E+07	102E+07	748E+06	108E+07	103E+07	103E+07	147E-03	152E-03	160E-03	157E-03
L-HISTIDINE	331E+06	606E+06	118E+06	485E+05	129E+06	000E+00	311E+06	196E+06	406E+05	688E+05	357E+06	274E+06	734E+06	115E+06	566E+06	302E+05	605E+06	944E+05	366E+06	394E+06	724E+06	449E+06	499E+06	445E+06	807E-04	679E-04	773E-04	774E-04
2-HYDROXY-4-(METHYLTHIO)BUTYRIC_ACI	298E+06	116E+06	894E+05	282E+06	272E+06	217E+04	353E+06	323E+06	180E+06	260E+06	313E+06	410E+06	896E+05	665E+05	520E+06	264E+06	482E+06	389E+06	232E+06	276E+06	546E+06	165E+06	324E+06	186E+06	460E-04	454E-04	483E-04	525E-04
3-(2-HYDROXYPHENYL)PROPANOATE	582E+06	863E+05	766E+05	332E+05	331E+05	000E+00	543E+05	824E+05	177E+06	643E+05	103E+06	118E+07	662E+05	207E+05	470E+05	387E+05	898E+05	122E+06	352E+06	321E+05	177E+07	253E+06	176E+05	116E+06	932E-05	965E-05	104E-04	106E-04
GLUCOSE_6-PHOSPHATE	380E+06	191E+07	858E+06	297E+06	331E+06	407E+03	149E+06	298E+06	426E+06	284E+06	232E+06	398E+06	579E+06	631E+07	447E+06	309E+06	267E+06	318E+06	283E+07	330E+06	279E+06	545E+06	180E+06	162E+07	126E-03	131E-03	139E-03	125E-03
L-TRYPTOPHAN	565E+07	399E+07	743E+06	314E+07	240E+07	000E+00	674E+07	833E+07	129E+08	568E+07	757E+07	616E+07	114E+08	201E+07	836E+07	321E+07	677E+07	183E+07	415E+07	185E+07	881E+07	476E+07	101E+08	678E+07	101E-02	942E-03	101E-02	105E-02
L-PHENYLALANINE	335E+07	292E+07	937E+06	321E+07	251E+07	237E+03	406E+07	538E+07	573E+07	232E+07	373E+07	523E+07	515E+07	121E+07	575E+07	326E+07	628E+07	222E+07	267E+07	333E+07	703E+07	294E+07	501E+07	336E+07	677E-03	630E-03	675E-03	651E-03
L-TYROSINE	102E+07	101E+07	446E+06	110E+07	827E+06	266E+03	203E+07	196E+07	281E+07	906E+06	121E+07	128E+07	273E+07	411E+06	224E+07	116E+07	257E+07	883E+06	125E+07	136E+07	250E+07	742E+06	170E+07	134E+07	241E-03	221E-03	252E-03	235E-03
3-HYDROXYBENZOATE	162E+07	108E+07	104E+06	608E+06	630E+06	000E+00	116E+07	136E+07	269E+06	471E+06	847E+06	234E+07	743E+05	105E+06	135E+07	684E+06	170E+07	432E+06	406E+06	206E+06	165E+07	125E+07	212E+07	416E+06	147E-03	140E-03	146E-03	153E-03
N-ACETYLGLYCINE	231E+06	465E+06	358E+06	207E+06	319E+06	377E+04	292E+06	251E+06	519E+06	194E+06	199E+06	344E+06	553E+06	455E+06	246E+06	325E+06	181E+06	142E+06	232E+06	369E+06	225E+06	228E+06	306E+06	219E+06	468E-04	456E-04	421E-04	444E-04
L-GLUTAMIC_ACID	970E+06	176E+07	921E+06	732E+06	827E+06	000E+00	865E+06	101E+07	764E+06	845E+06	701E+06	588E+06	146E+07	256E+07	793E+06	722E+06	823E+06	658E+06	187E+07	810E+06	656E+06	947E+06	625E+06	123E+07	221E-03	202E-03	214E-03	202E-03
3-DEHYDROSHIKIMATE	140E+06	122E+06	555E+05	176E+06	148E+06	000E+00	194E+06	243E+06	346E+06	222E+06	202E+06	120E+06	115E+06	113E+06	227E+06	177E+06	174E+06	968E+05	129E+06	948E+05	150E+06	141E+06	170E+06	172E+06	316E-04	298E-04	315E-04	314E-04
CHOLATE	105E+06	207E+05	193E+05	716E+06	402E+06	000E+00	705E+06	254E+07	286E+07	153E+07	115E+07	240E+06	930E+06	121E+06	431E+07	459E+06	419E+06	352E+06	282E+07	294E+06	439E+06	276E+07	853E+06	612E+06	175E-03	174E-03	181E-03	181E-03
ELAIDIC_ACID	121E+07	189E+06	431E+06	282E+07	272E+07	828E+05	269E+07	269E+07	778E+07	598E+07	458E+07	513E+06	961E+07	721E+06	330E+07	312E+07	172E+07	259E+07	350E+07	258E+07	105E+07	416E+07	251E+07	281E+07	523E-03	528E-03	524E-03	531E-03
LACTATE	298E-01	339E-01	112E-01	308E-01	252E-01	000E+00	295E-01	370E-01	418E-01	288E-01	307E-01	397E-01	311E-01	185E-01	384E-01	248E-01	327E-01	214E-01	179E-01	173E-01	314E-01	202E-01	357E-01	249E-01	266E-01	293E-01	278E-01	279E-01
MANNITOL	420E+06	876E+06	465E+06	563E+06	520E+06	000E+00	541E+06	896E+06	125E+07	151E+07	121E+07	615E+06	880E+06	733E+06	547E+06	608E+06	712E+06	552E+06	342E+06	355E+06	530E+06	294E+06	962E+06	683E+06	142E-03	136E-03	134E-03	137E-03
L-ASPARTATE	143E+08	384E+08	262E+08	920E+07	154E+08	000E+00	109E+08	913E+07	613E+06	778E+07	146E+08	226E+08	221E+06	290E+08	561E+07	138E+08	122E+08	140E+08	164E+08	180E+08	140E+08	123E+08	165E+08	163E+08	339E-02	315E-02	322E-02	313E-02
BENZYL_ALCOHOL	303E+06	236E+05	000E+00	457E+05	935E+05	000E+00	198E+06	170E+06	116E+06	305E+06	122E+06	200E+06	104E+05	818E+04	145E+06	272E+06	124E+07	803E+05	299E+06	118E+06	987E+06	504E+05	908E+06	139E+05	409E-04	383E-04	414E-04	407E-04
GUANOSINE_5'-MONOPHOSPHATE	616E+06	488E+06	232E+06	153E+06	793E+06	000E+00	554E+06	103E+07	510E+05	179E+05	251E+06	193E+06	109E+05	374E+06	293E+06	597E+06	208E+06	999E+05	895E+06	359E+06	100E+06	995E+06	114E+06	104E+07	795E-04	740E-04	758E-04	797E-04
ADENOSINE_5'-MONOPHOSPHATE	233E+07	203E+07	110E+07	764E+06	452E+07	000E+00	361E+07	551E+07	413E+06	668E+05	898E+06	104E+07	743E+05	648E+06	145E+07	286E+07	110E+07	100E+07	342E+07	274E+07	511E+06	311E+07	622E+06	201E+07	338E-03	324E-03	327E-03	326E-03
ALLANTOIN	147E+07	649E+06	735E+06	154E+07	136E+07	000E+00	244E+07	215E+07	216E+07	325E+07	264E+07	163E+07	241E+07	106E+07	245E+07	136E+07	227E+07	174E+07	315E+07	153E+07	214E+07	123E+07	198E+07	130E+07	356E-03	332E-03	333E-03	331E-03
L-SERINE	336E+06	745E+06	599E+06	550E+06	400E+06	000E+00	101E+07	618E+06	486E+06	350E+06	513E+06	508E+06	940E+06	462E+06	572E+06	443E+06	769E+06	441E+06	808E+06	541E+06	804E+06	453E+06	580E+06	704E+06	128E-03	125E-03	131E-03	121E-03
URIDINE-5-MONOPHOSPHATE	462E+06	302E+06	185E+06	164E+06	635E+06	000E+00	550E+06	931E+06	656E+05	000E+00	157E+06	101E+06	677E+05	288E+06	269E+06	500E+06	156E+06	122E+06	179E+07	358E+06	538E+05	645E+06	541E+05	612E+06	656E-04	644E-04	642E-04	691E-04
THYMIDINE	366E+06	159E+06	928E+05	428E+06	374E+06	216E+03	458E+06	584E+06	980E+06	675E+06	747E+06	486E+06	785E+06	119E+06	581E+06	381E+06	524E+06	327E+06	120E+06	320E+06	454E+06	274E+06	664E+06	278E+06	749E-04	733E-04	773E-04	772E-04
N-ACETYL-L-METHIONINE	213E+06	259E+06	341E+05	213E+06	135E+06	305E+03	317E+06	504E+06	605E+06	185E+06	280E+06	403E+06	104E+07	735E+05	637E+06	185E+06	590E+06	120E+06	896E+05	121E+06	724E+06	231E+06	332E+06	196E+06	533E-04	497E-04	511E-04	532E-04
RIBOSE_5-PHOSPHATE	270E+06	588E+06	911E+06	529E+06	692E+06	000E+00	405E+06	580E+06	210E+06	491E+06	203E+06	356E+06	696E+06	335E+07	683E+06	802E+06	364E+06	130E+07	120E+07	272E+06	370E+06	112E+07	280E+06	206E+07	174E-03	167E-03	171E-03	165E-03
MALATE	699E+07	963E+07	743E+06	214E+07	802E+06	000E+00	180E+07	345E+07	259E+07	682E+06	183E+07	106E+08	708E+07	147E+07	903E+07	116E+07	474E+07	365E+06	241E+07	564E+06	885E+07	130E+07	527E+07	202E+07	488E-03	481E-03	508E-03	514E-03
GLUCURONIC_ACID	108E+07	173E+07	448E+07	229E+07	270E+07	268E+04	253E+07	181E+07	519E+06	140E+07	208E+07	796E+06	589E+06	520E+07	167E+07	365E+07	239E+07	205E+07	367E+07	696E+07	236E+07	862E+07	134E+07	610E+07	655E-03	617E-03	636E-03	618E-03
N-ACETYL-L-GLUTAMIC_ACID	312E+06	137E+07	828E+05	254E+06	138E+06	254E+03	171E+06	302E+06	408E+06	576E+05	203E+06	193E+07	753E+06	118E+06	421E+06	188E+06	925E+06	737E+05	388E+06	138E+06	129E+07	129E+06	371E+06	216E+06	734E-04	698E-04	735E-04	739E-04
FUMARATE	637E+06	102E+07	150E+06	396E+06	219E+06	812E+03	448E+06	817E+06	727E+06	207E+06	434E+06	948E+06	148E+07	299E+06	146E+07	306E+06	934E+06	123E+06	627E+06	138E+06	115E+07	247E+06	664E+06	386E+06	105E-03	100E-03	102E-03	102E-03
3-SULFINO-L-ALANINE	332E+07	163E+07	164E+07	322E+07	354E+07	000E+00	265E+07	300E+07	270E+07	313E+07	196E+07	212E+07	510E+06	216E+07	261E+07	276E+07	277E+07	455E+07	655E+07	315E+07	252E+07	475E+07	197E+07	207E+07	497E-03	508E-03	515E-03	532E-03
CREATINE	521E+06	425E+06	451E+06	431E+06	585E+06	000E+00	116E+07	787E+06	751E+06	600E+06	567E+06	446E+06	188E+07	411E+06	563E+06	525E+06	732E+06	128E+07	115E+07	665E+06	508E+06	613E+06	571E+06	335E+06	144E-03	136E-03	141E-03	138E-03
GLUCONIC_ACID	640E+07	211E+08	154E+08	883E+07	106E+08	000E+00	988E+07	983E+07	223E+07	346E+07	759E+07	678E+07	249E+07	999E+07	876E+07	114E+08	135E+08	638E+07	168E+08	220E+08	140E+08	720E+07	927E+07	851E+07	226E-02	216E-02	224E-02	220E-02
CITRULLINE	439E+06	462E+06	624E+06	547E+06	570E+06	345E+03	934E+06	779E+06	547E+06	496E+06	765E+06	556E+06	169E+07	675E+06	813E+06	602E+06	101E+07	477E+06	104E+07	806E+06	113E+07	536E+06	586E+06	106E+07	155E-03	154E-03	159E-03	149E-03
XANTHINE	914E+05	254E+07	502E+06	228E+07	143E+07	000E+00	907E+06	237E+07	730E+07	237E+07	344E+07	271E+05	303E+05	189E+07	308E+07	175E+07	132E+07	828E+06	526E+06	655E+06	496E+06	873E+06	647E+07	851E+04	321E-03	309E-03	325E-03	321E-03
N6-(DELTA2-ISOPENTENYL)-ADENINE	502E+06	784E+06	168E+06	321E+06	303E+06	108E+06	514E+06	988E+06	720E+06	351E+06	500E+06	957E+06	422E+06	163E+06	117E+07	287E+06	845E+06	230E+06	295E+06	263E+06	111E+07	215E+06	820E+06	291E+06	911E-04	911E-04	918E-04	892E-04
TAURINE	923E+07	209E+08	151E+08	136E+08	129E+08	502E+03	234E+08	222E+08	186E+08	204E+08	178E+08	111E+08	302E+08	150E+08	132E+08	120E+08	144E+08	132E+08	671E+08	142E+08	176E+08	193E+08	925E+07	166E+08	374E-02	359E-02	370E-02	354E-02
PANTOTHENIC_ACID	253E+07	307E+07	480E+06	167E+07	117E+07	000E+00	134E+07	239E+07	439E+07	125E+07	212E+07	505E+07	559E+07	937E+06	280E+07	124E+07	385E+07	723E+06	110E+07	975E+06	429E+07	213E+07	434E+07	162E+07	402E-03	389E-03	409E-03	409E-03
TRANS-ACONITATE	807E+06	112E+07	322E+06	557E+06	481E+06	000E+00	375E+06	731E+06	331E+06	146E+06	389E+06	945E+06	131E+07	104E+07	138E+07	611E+06	868E+06	279E+06	248E+06	626E+06	109E+07	704E+06	773E+06	114E+07	117E-03	119E-03	121E-03	120E-03
CITRATE	892E+08	103E+09	538E+08	737E+08	603E+08	000E+00	397E+08	733E+08	273E+08	216E+08	515E+08	984E+08	961E+08	900E+08	123E+09	645E+08	886E+08	407E+08	310E+08	652E+08	113E+09	674E+08	856E+08	992E+08	141E-01	134E-01	137E-01	140E-01
DEOXYCHOLATE	383E+06	119E+06	000E+00	185E+06	350E+06	000E+00	331E+06	891E+06	262E+07	124E+07	958E+06	320E+06	531E+06	636E+05	108E+07	280E+06	567E+06	285E+06	379E+06	334E+06	895E+06	337E+06	123E+07	207E+06	871E-04	896E-04	868E-04	902E-04
URIDINE	478E+07	828E+07	332E+06	140E+07	138E+07	000E+00	326E+07	646E+07	318E+07	210E+07	260E+07	725E+07	234E+07	529E+06	493E+07	574E+06	415E+07	709E+06	863E+06	421E+06	439E+07	148E+07	944E+07	671E+06	547E-03	527E-03	544E-03	554E-03
INOSINE_5'-MONOPHOSPHATE	205E+07	126E+07	497E+06	168E+06	316E+06	000E+00	135E+07	242E+07	699E+05	413E+05	109E+06	319E+06	000E+00	404E+06	185E+06	275E+06	147E+06	534E+06	463E+07	447E+06	491E+05	119E+07	252E+06	558E+06	135E-03	129E-03	135E-03	134E-03
HOMOSERINE	137E+07	395E+07	186E+07	217E+07	181E+07	000E+00	455E+07	334E+07	184E+07	175E+07	256E+07	263E+07	366E+07	174E+07	276E+07	207E+07	485E+07	185E+07	423E+07	272E+07	508E+07	159E+07	256E+07	394E+07	603E-03	582E-03	597E-03	576E-03
ALPHA-GLUCOSE	345E+08	290E+08	664E+08	551E+08	617E+08	000E+00	726E+08	528E+08	366E+08	564E+08	632E+08	315E+08	388E+08	425E+08	443E+08	625E+08	540E+08	567E+08	611E+08	635E+08	542E+08	395E+08	320E+08	458E+08	103E-01	995E-02	990E-02	982E-02
3-HYDROXYPHENYLACETATE	792E+07	269E+07	335E+06	374E+07	209E+07	000E+00	619E+07	640E+07	146E+07	348E+07	653E+07	895E+07	000E+00	482E+06	571E+07	333E+07	811E+07	412E+07	354E+07	316E+07	852E+07	585E+07	983E+07	254E+07	822E-03	802E-03	809E-03	838E-03
GLYCERATE	416E+06	514E+06	631E+06	556E+06	506E+06	000E+00	597E+06	462E+06	620E+06	499E+06	539E+06	632E+06	487E+06	536E+06	689E+06	444E+06	688E+06	723E+06	122E+07	636E+06	714E+06	515E+06	560E+06	418E+06	103E-03	991E-04	100E-03	102E-03
HIPPURATE	451E+07	158E+07	308E+07	216E+08	160E+08	000E+00	184E+08	409E+08	118E+09	535E+08	479E+08	679E+06	247E+08	750E+07	376E+08	215E+08	231E+08	154E+08	114E+08	123E+08	139E+08	105E+08	191E+08	815E+07	406E-02	392E-02	405E-02	408E-02
5-OXO-L-PROLINE	634E+07	581E+07	875E+07	179E+08	132E+08	000E+00	115E+08	959E+07	278E+08	643E+07	100E+08	443E+07	594E+08	843E+07	131E+08	148E+08	964E+07	626E+07	622E+07	167E+08	870E+07	168E+08	711E+07	163E+08	226E-02	220E-02	229E-02	226E-02
CETOGLUTARATE	802E+06	105E+07	274E+06	133E+07	635E+06	000E+00	181E+07	303E+07	228E+07	544E+06	212E+07	477E+07	105E+08	640E+06	564E+07	124E+07	471E+07	365E+06	283E+06	330E+06	545E+07	616E+06	234E+07	136E+07	367E-03	359E-03	368E-03	364E-03
SUBERIC_ACID	535E+08	539E+08	549E+08	536E+08	524E+08	553E+08	530E+08	528E+08	517E+08	528E+08	535E+08	533E+08	553E+08	550E+08	526E+08	543E+08	529E+08	529E+08	535E+08	539E+08	514E+08	505E+08	536E+08	539E+08	991E-02	955E-02	957E-02	955E-02
SUCCINATE	215E+08	684E+08	248E+07	740E+07	449E+07	211E+04	698E+07	275E+08	105E+08	146E+07	722E+07	476E+08	146E+08	276E+07	332E+08	360E+07	292E+08	192E+07	426E+07	244E+07	458E+08	331E+07	413E+08	326E+07	315E-02	306E-02	319E-02	314E-02
4-METHYL-2-OXO-PENTANOIC_ACID	531E+07	124E+07	100E+07	685E+07	439E+07	111E+05	760E+07	112E+08	188E+08	909E+07	107E+08	395E+07	855E+07	104E+07	125E+08	730E+07	752E+07	619E+07	483E+07	413E+07	797E+07	512E+07	625E+07	346E+07	113E-02	111E-02	115E-02	115E-02
INDOXYL_SULFATE	238E+08	136E+08	352E+06	652E+07	786E+07	000E+00	245E+08	339E+08	558E+08	558E+08	404E+08	343E+08	170E+08	239E+07	229E+08	107E+08	571E+08	557E+07	144E+08	582E+07	718E+08	766E+07	379E+08	294E+08	417E-02	405E-02	412E-02	420E-02
N-ACETYL-L-PHENYLALANINE	720E+06	453E+06	194E+06	693E+06	532E+06	127E+05	975E+06	130E+07	160E+07	560E+06	954E+06	139E+07	189E+07	239E+06	177E+07	677E+06	172E+07	560E+06	252E+06	577E+06	241E+07	562E+06	840E+06	545E+06	157E-03	151E-03	154E-03	154E-03
3-HYDROXYBUTANOIC_ACID	694E+07	105E+08	263E+07	827E+07	677E+07	000E+00	769E+07	122E+08	111E+08	532E+07	577E+07	999E+07	416E+07	263E+07	129E+08	737E+07	960E+07	399E+07	420E+07	640E+07	119E+08	448E+07	827E+07	518E+07	124E-02	124E-02	126E-02	128E-02
FORMYL-L-METHIONYL_PEPTIDE	329E+06	187E+06	851E+05	381E+06	261E+06	198E+03	301E+06	357E+06	228E+06	212E+06	246E+06	487E+06	190E+06	105E+06	405E+06	256E+06	596E+06	403E+06	239E+06	301E+06	530E+06	202E+06	358E+06	291E+06	517E-04	509E-04	521E-04	510E-04
4-ACETAMIDOBUTANOATE	805E+07	172E+07	108E+06	704E+06	490E+06	252E+04	427E+07	166E+08	210E+07	751E+06	396E+07	820E+06	101E+07	144E+06	964E+07	916E+06	655E+07	412E+06	687E+06	421E+06	125E+08	354E+06	203E+07	476E+06	519E-03	513E-03	530E-03	516E-03
4-METHYL-2-OXOVALERIC_ACID	500E+07	137E+07	133E+07	575E+07	426E+07	993E+04	730E+07	102E+08	191E+08	865E+07	933E+07	342E+07	106E+08	119E+07	106E+08	578E+07	669E+07	533E+07	495E+07	385E+07	775E+07	596E+07	517E+07	267E+07	109E-02	107E-02	110E-02	110E-02
N-ACETYL-TRYPTOPHAN	552E+06	256E+06	165E+06	543E+06	443E+06	000E+00	955E+06	124E+07	148E+07	946E+06	102E+07	585E+06	219E+07	380E+06	146E+07	565E+06	880E+06	326E+06	322E+06	340E+06	120E+07	585E+06	685E+06	602E+06	130E-03	130E-03	131E-03	132E-03
MS_METABOLITE_DATA_END
#METABOLITES
METABOLITES_START
metabolite_name	RT (min)
OROTIC_ACID	1.5494308
N-ACETYLNEURAMINATE	0.95982426
L-ASPARAGINE	0.83376608
N-ACETYL-L-ASPARTIC_ACID	1.3221222
CREATININE	0.82930775
CITRAMALATE	1.3221222
3-UREIDOPROPIONATE	1.139387
MALONATE	1.1794995
ALPHA-AMINOADIPATE	0.86050777
L-ARABITOL	0.8471369
LINOLEATE	14.183729
CYTIDINE_2',3'-CYCLIC_MONO-PHOS-PHAT	1.6621581
PALMITATE	14.428865
STEARATE	15.073351
L-HISTIDINE	0.82930775
2-HYDROXY-4-(METHYLTHIO)BUTYRIC_ACI	8.1026959
3-(2-HYDROXYPHENYL)PROPANOATE	8.65239399999999
GLUCOSE_6-PHOSPHATE	0.95982426
L-TRYPTOPHAN	5.2666198
L-PHENYLALANINE	3.3781045
L-TYROSINE	1.4736622
3-HYDROXYBENZOATE	5.9529968
N-ACETYLGLYCINE	1.175041
L-GLUTAMIC_ACID	0.8471369
3-DEHYDROSHIKIMATE	1.9251204
CHOLATE	12.1647079999999
ELAIDIC_ACID	14.593775
LACTATE	1.2374412
MANNITOL	0.83822207
L-ASPARTATE	0.86050777
BENZYL_ALCOHOL	9.7657399
GUANOSINE_5'-MONOPHOSPHATE	1.7869539
ADENOSINE_5'-MONOPHOSPHATE	1.4558327
ALLANTOIN	0.86050777
L-SERINE	0.83376608
URIDINE-5-MONOPHOSPHATE	1.5984581
THYMIDINE	5.1418239
N-ACETYL-L-METHIONINE	6.4610951
RIBOSE_5-PHOSPHATE	0.9642807
MALATE	1.0413325
GLUCURONIC_ACID	0.86050777
N-ACETYL-L-GLUTAMIC_ACID	1.7735831
FUMARATE	1.5939997
3-SULFINO-L-ALANINE	1.1661287
CREATINE	0.83376608
GLUCONIC_ACID	0.86050777
CITRULLINE	0.83822207
XANTHINE	1.6220455
N6-(DELTA2-ISOPENTENYL)-ADENINE	9.0040878
TAURINE	0.83822207
PANTOTHENIC_ACID	5.6543783
TRANS-ACONITATE	2.7853231
CITRATE	1.4023493
DEOXYCHOLATE	12.806516
URIDINE	1.8582663
INOSINE_5'-MONOPHOSPHATE	2.139058
HOMOSERINE	0.83822207
ALPHA-GLUCOSE	0.83822207
3-HYDROXYPHENYLACETATE	9.5817172
GLYCERATE	0.91844716
HIPPURATE	7.1118184
5-OXO-L-PROLINE	1.617589
CETOGLUTARATE	1.5583434
SUBERIC_ACID	8.9091545
SUCCINATE	1.6577015
4-METHYL-2-OXO-PENTANOIC_ACID	8.8155585
INDOXYL_SULFATE	8.1561813
N-ACETYL-L-PHENYLALANINE	8.8423003
3-HYDROXYBUTANOIC_ACID	2.3217958
FORMYL-L-METHIONYL_PEPTIDE	5.6989489
4-ACETAMIDOBUTANOATE	4.4554442
4-METHYL-2-OXOVALERIC_ACID	9.09322749999999
N-ACETYL-TRYPTOPHAN	8.83338539999999
METABOLITES_END
#END