#METABOLOMICS WORKBENCH Madjihounoum_20221203_055157 DATATRACK_ID:3622 STUDY_ID:ST002434 ANALYSIS_ID:AN003965 PROJECT_ID:PR001567
VERSION             	1
CREATED_ON             	January 10, 2023, 8:43 am
#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:DEPARTMENT                    	C3M
PR:LABORATORY                    	RICCI
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 heart 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
#FACTORS
#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           	-	Heart_1	Genotype:Wild-type | Gender:Male | Stage:Symptomatic	RAW_FILE_NAME=HILIC_POS_Heart_1.mzXML
SUBJECT_SAMPLE_FACTORS           	-	Heart_2	Genotype:Wild-type | Gender:Male | Stage:Symptomatic	RAW_FILE_NAME=HILIC_POS_Heart_2.mzXML
SUBJECT_SAMPLE_FACTORS           	-	Heart_3	Genotype:Wild-type | Gender:Male | Stage:Symptomatic	RAW_FILE_NAME=HILIC_POS_Heart_3.mzXML
SUBJECT_SAMPLE_FACTORS           	-	Heart_4	Genotype:Wild-type | Gender:Male | Stage:Symptomatic	RAW_FILE_NAME=HILIC_POS_Heart_4.mzXML
SUBJECT_SAMPLE_FACTORS           	-	Heart_5	Genotype:Wild-type | Gender:Male | Stage:Symptomatic	RAW_FILE_NAME=HILIC_POS_Heart_5.mzXML
SUBJECT_SAMPLE_FACTORS           	-	Heart_6	Genotype:Wild-type | Gender:Male | Stage:Symptomatic	RAW_FILE_NAME=HILIC_POS_Heart_6.mzXML
SUBJECT_SAMPLE_FACTORS           	-	Heart_7	Genotype:CHCHD10S59L/+ | Gender:Male | Stage:Symptomatic	RAW_FILE_NAME=HILIC_POS_Heart_7.mzXML
SUBJECT_SAMPLE_FACTORS           	-	Heart_8	Genotype:CHCHD10S59L/+ | Gender:Male | Stage:Symptomatic	RAW_FILE_NAME=HILIC_POS_Heart_8.mzXML
SUBJECT_SAMPLE_FACTORS           	-	Heart_9	Genotype:CHCHD10S59L/+ | Gender:Male | Stage:Symptomatic	RAW_FILE_NAME=HILIC_POS_Heart_9.mzXML
SUBJECT_SAMPLE_FACTORS           	-	Heart_10	Genotype:CHCHD10S59L/+ | Gender:Male | Stage:Symptomatic	RAW_FILE_NAME=HILIC_POS_Heart_10.mzXML
SUBJECT_SAMPLE_FACTORS           	-	Heart_11	Genotype:CHCHD10S59L/+ | Gender:Male | Stage:Symptomatic	RAW_FILE_NAME=HILIC_POS_Heart_11.mzXML
SUBJECT_SAMPLE_FACTORS           	-	Heart_12	Genotype:CHCHD10S59L/+ | Gender:Male | Stage:Symptomatic	RAW_FILE_NAME=HILIC_POS_Heart_12.mzXML
SUBJECT_SAMPLE_FACTORS           	-	Heart_13	Genotype:Wild-type | Gender:female | Stage:Symptomatic	RAW_FILE_NAME=HILIC_POS_Heart_13.mzXML
SUBJECT_SAMPLE_FACTORS           	-	Heart_14	Genotype:Wild-type | Gender:female | Stage:Symptomatic	RAW_FILE_NAME=HILIC_POS_Heart_14.mzXML
SUBJECT_SAMPLE_FACTORS           	-	Heart_15	Genotype:Wild-type | Gender:Male | Stage:Symptomatic	RAW_FILE_NAME=HILIC_POS_Heart_15.mzXML
SUBJECT_SAMPLE_FACTORS           	-	Heart_16	Genotype:CHCHD10S59L/+ | Gender:female | Stage:Symptomatic	RAW_FILE_NAME=HILIC_POS_Heart_16.mzXML
SUBJECT_SAMPLE_FACTORS           	-	Heart_17	Genotype:CHCHD10S59L/+ | Gender:female | Stage:Symptomatic	RAW_FILE_NAME=HILIC_POS_Heart_17.mzXML
SUBJECT_SAMPLE_FACTORS           	-	Heart_18	Genotype:CHCHD10S59L/+ | Gender:Male | Stage:Symptomatic	RAW_FILE_NAME=HILIC_POS_Heart_18.mzXML
SUBJECT_SAMPLE_FACTORS           	-	Heart_19	Genotype:Wild-type | Gender:female | Stage:Symptomatic	RAW_FILE_NAME=HILIC_POS_Heart_19.mzXML
SUBJECT_SAMPLE_FACTORS           	-	Heart_20	Genotype:Wild-type | Gender:female | Stage:Symptomatic	RAW_FILE_NAME=HILIC_POS_Heart_20.mzXML
SUBJECT_SAMPLE_FACTORS           	-	Heart_21	Genotype:Wild-type | Gender:Male | Stage:Symptomatic	RAW_FILE_NAME=HILIC_POS_Heart_21.mzXML
SUBJECT_SAMPLE_FACTORS           	-	Heart_22	Genotype:CHCHD10S59L/+ | Gender:female | Stage:Symptomatic	RAW_FILE_NAME=HILIC_POS_Heart_22.mzXML
SUBJECT_SAMPLE_FACTORS           	-	Heart_23	Genotype:CHCHD10S59L/+ | Gender:female | Stage:Symptomatic	RAW_FILE_NAME=HILIC_POS_Heart_23.mzXML
SUBJECT_SAMPLE_FACTORS           	-	Heart_24	Genotype:CHCHD10S59L/+ | Gender:Male | Stage:Symptomatic	RAW_FILE_NAME=HILIC_POS_Heart_24.mzXML
SUBJECT_SAMPLE_FACTORS           	-	Heart_QC1	Genotype:QC | Gender:QC | Stage:QC	RAW_FILE_NAME=HILIC_POS_Heart_QC1.mzXML
SUBJECT_SAMPLE_FACTORS           	-	Heart_QC2	Genotype:QC | Gender:QC | Stage:QC	RAW_FILE_NAME=HILIC_POS_Heart_QC2.mzXML
SUBJECT_SAMPLE_FACTORS           	-	Heart_QC3	Genotype:QC | Gender:QC | Stage:QC	RAW_FILE_NAME=HILIC_POS_Heart_QC3.mzXML
SUBJECT_SAMPLE_FACTORS           	-	Heart_QC4	Genotype:QC | Gender:QC | Stage:QC	RAW_FILE_NAME=HILIC_POS_Heart_QC4.mzXML
SUBJECT_SAMPLE_FACTORS           	-	Heart_QC5	Genotype:QC | Gender:QC | Stage:QC	RAW_FILE_NAME=HILIC_POS_Heart_QC5.mzXML
#COLLECTION
CO:COLLECTION_SUMMARY            	Cardiac tissue samples were immediately flash frozen in liquid nitrogen and
CO:COLLECTION_SUMMARY            	stored at -80 °C until further analyses
CO:SAMPLE_TYPE                   	Cardiac tissue
CO:STORAGE_CONDITIONS            	-80℃
#TREATMENT
TR:TREATMENT_SUMMARY             	NA
#SAMPLEPREP
SP:SAMPLEPREP_SUMMARY            	Tissues were ground to powder by using liquid nitrogen cooled mortar and pestle.
SP:SAMPLEPREP_SUMMARY            	11.1 mg of powder tissue were extracted with 1 mL cold acetonitrile/water (1:1,
SP:SAMPLEPREP_SUMMARY            	v/v). The suspension was vortexed, incubated at 4°C for 1 h, centrifuged at 16
SP:SAMPLEPREP_SUMMARY            	000 x g for 10 mins at 4°C and then 450 µL of the supernatant was dried. For
SP:SAMPLEPREP_SUMMARY            	plasma metabolites extraction, 20 µL were precipitated with methanol and
SP:SAMPLEPREP_SUMMARY            	centrifuged at 16 000 x g for 10 mins at 4°C, and the supernatant was dried.
SP:SAMPLEPREP_SUMMARY            	All dried metabolites extract from tissues were reconstituted in 100 µL of
SP:SAMPLEPREP_SUMMARY            	either methanol/water (1: 9, v/v) or ACN/water (9: 1, v/v) depending on the
SP:SAMPLEPREP_SUMMARY            	LC-column used and 10 µL was injected into LC-HRMS system
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 C18 (150 x 2.1mm, 2.6 um)
CH:SOLVENT_A                     	Water
CH:SOLVENT_B                     	ACN
CH:FLOW_GRADIENT                 	20 minutes
CH:FLOW_RATE                     	0.4 mL/min
#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                      	POSITIVE
MS:MS_COMMENTS                   	During the full-scan acquisition, which ranged from 58 to 870 m/z, the
MS:MS_COMMENTS                   	instrument operated at 70,000 resolution (m/z = 200).A targeted analysis was
MS:MS_COMMENTS                   	applied on the samples, based on a library of standard compounds (Mass
MS:MS_COMMENTS                   	Spectroscopy Metabolite Library (MSML®) of standards, IROA Technologies™).
MS:MS_COMMENTS                   	The following criteria were followed to identify the metabolites: (1) retention
MS:MS_COMMENTS                   	time of the detected metabolite within ± 20 s of the standard reference, (2)
MS:MS_COMMENTS                   	exact measured of molecular mass of the metabolite within a range of 10 ppm
MS:MS_COMMENTS                   	around the known molecular mass of the reference compound, and (3)
MS:MS_COMMENTS                   	correspondence between isotopic ratios of the metabolite and the standard
MS:MS_COMMENTS                   	reference. The signal value was calculated using Xcalibur® software (Thermo
MS:MS_COMMENTS                   	Fisher Scientific, San Jose, CA) by integrating the chromatographic peak area
MS:MS_COMMENTS                   	corresponding to the selected metabolite.
#MS_METABOLITE_DATA
MS_METABOLITE_DATA:UNITS	relative units
MS_METABOLITE_DATA_START
Samples	Heart_1	Heart_10	Heart_11	Heart_12	Heart_13	Heart_14	Heart_15	Heart_16	Heart_17	Heart_18	Heart_19	Heart_2	Heart_20	Heart_21	Heart_22	Heart_23	Heart_24	Heart_3	Heart_4	Heart_5	Heart_6	Heart_7	Heart_8	Heart_9	Heart_QC1	Heart_QC2	Heart_QC3	Heart_QC4	Heart_QC5
Factors	Genotype:Wild-type | Gender:Male | Stage:Symptomatic	Genotype:CHCHD10S59L/+ | Gender:Male | 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:Wild-type | Gender:Male | Stage:Symptomatic	Genotype:CHCHD10S59L/+ | Gender:female | Stage:Symptomatic	Genotype:CHCHD10S59L/+ | Gender:female | Stage:Symptomatic	Genotype:CHCHD10S59L/+ | Gender:Male | Stage:Symptomatic	Genotype:Wild-type | Gender:female | Stage:Symptomatic	Genotype:Wild-type | Gender:Male | Stage:Symptomatic	Genotype:Wild-type | Gender:female | Stage:Symptomatic	Genotype:Wild-type | Gender:Male | Stage:Symptomatic	Genotype:CHCHD10S59L/+ | Gender:female | Stage:Symptomatic	Genotype:CHCHD10S59L/+ | Gender:female | Stage:Symptomatic	Genotype:CHCHD10S59L/+ | Gender:Male | Stage:Symptomatic	Genotype:Wild-type | Gender:Male | Stage:Symptomatic	Genotype:Wild-type | Gender:Male | Stage:Symptomatic	Genotype:Wild-type | Gender:Male | Stage:Symptomatic	Genotype:Wild-type | Gender:Male | Stage:Symptomatic	Genotype:CHCHD10S59L/+ | Gender:Male | Stage:Symptomatic	Genotype:CHCHD10S59L/+ | Gender:Male | Stage:Symptomatic	Genotype:CHCHD10S59L/+ | Gender:Male | 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	Genotype:QC | Gender:QC | Stage:QC
SPERMIDINE	271E+05	000E+00	294E+06	654E+05	451E+06	315E+04	804E+04	129E+06	336E+06	745E+06	182E+05	363E+05	306E+05	513E+06	368E+06	215E+06	106E+06	342E+06	119E+05	355E+05	104E+05	110E+06	247E+06	760E+06	258E+06	248E+06	219E+06	187E+06	188E+06
L-ORNITHINE	944E+05	315E+05	747E+06	405E+06	216E+06	667E+05	661E+05	161E+06	328E+06	277E+06	113E+06	128E+06	689E+05	123E+06	256E+06	914E+05	480E+06	207E+06	692E+05	126E+06	846E+05	118E+06	124E+06	151E+06	232E+06	226E+06	213E+06	226E+06	234E+06
L-LYSINE	219E+07	161E+05	379E+07	274E+07	424E+07	270E+07	189E+07	310E+07	411E+07	357E+07	188E+07	347E+07	282E+07	358E+07	282E+07	287E+07	307E+07	343E+07	188E+07	225E+07	270E+07	207E+07	370E+07	219E+07	298E+07	291E+07	289E+07	286E+07	292E+07
HISTAMINE	498E+06	000E+00	105E+07	723E+06	699E+06	238E+06	139E+06	238E+07	139E+07	871E+06	306E+06	170E+07	238E+06	246E+06	192E+07	566E+06	284E+07	691E+06	131E+06	119E+06	278E+06	326E+06	343E+06	254E+07	921E+06	892E+06	888E+06	885E+06	890E+06
3-METHYLHISTAMINE	109E+06	000E+00	831E+05	692E+05	241E+06	561E+05	740E+05	108E+06	105E+06	109E+06	791E+05	172E+06	944E+05	102E+06	863E+05	779E+05	207E+06	107E+06	250E+05	420E+05	139E+06	653E+05	595E+05	964E+05	116E+06	106E+06	106E+06	102E+06	100E+06
N,N,N-TRIMETHYL-LYSINE	112E+07	000E+00	264E+07	757E+06	278E+07	894E+06	971E+06	151E+07	171E+07	347E+07	907E+06	203E+07	180E+07	279E+07	272E+07	125E+07	132E+07	474E+07	585E+06	129E+07	199E+07	243E+07	215E+07	188E+07	201E+07	190E+07	186E+07	179E+07	185E+07
DIETHANOLAMINE	267E+05	298E+05	348E+05	140E+05	315E+05	147E+05	154E+05	255E+05	185E+05	205E+05	261E+05	103E+05	122E+05	193E+05	250E+05	159E+05	205E+05	258E+05	229E+05	988E+04	299E+05	252E+05	151E+05	130E+05	293E+05	260E+05	326E+05	249E+05	303E+05
CHOLINE	211E+05	000E+00	420E+05	435E+05	416E+05	323E+05	298E+05	498E+05	801E+05	508E+05	320E+05	426E+05	324E+05	421E+05	498E+05	522E+05	469E+05	405E+05	216E+05	180E+05	323E+05	301E+05	365E+05	214E+05	395E+05	360E+05	380E+05	325E+05	350E+05
L-ARGININE	464E+07	361E+05	436E+07	296E+07	757E+07	430E+07	346E+07	533E+07	531E+07	746E+07	328E+07	687E+07	470E+07	729E+07	543E+07	369E+07	339E+07	991E+07	342E+07	427E+07	694E+07	434E+07	643E+07	426E+07	526E+07	516E+07	508E+07	487E+07	495E+07
L-HISTIDINE	194E+07	338E+05	189E+07	249E+07	266E+07	172E+07	104E+07	221E+07	351E+07	264E+07	829E+06	247E+07	188E+07	243E+07	222E+07	331E+07	259E+07	168E+07	136E+07	121E+07	163E+07	130E+07	294E+07	211E+07	217E+07	213E+07	214E+07	204E+07	212E+07
3-Methylhistidine	428E+06	398E+03	914E+06	784E+06	729E+06	463E+06	404E+06	732E+06	619E+06	107E+07	229E+06	600E+06	418E+06	463E+06	309E+06	315E+06	770E+06	455E+06	413E+06	349E+06	416E+06	501E+06	114E+07	285E+06	595E+06	555E+06	552E+06	510E+06	529E+06
EPINEPHRINE	459E+06	000E+00	475E+06	349E+06	142E+07	493E+06	527E+06	528E+06	606E+06	678E+06	341E+06	835E+06	581E+06	979E+06	439E+06	381E+06	471E+06	919E+06	427E+06	589E+06	818E+06	284E+06	463E+06	297E+06	544E+06	506E+06	509E+06	491E+06	517E+06
4-AMINOBUTANOATE	146E+06	000E+00	389E+06	281E+06	268E+06	122E+06	994E+05	265E+06	345E+06	440E+06	203E+06	218E+06	104E+06	122E+06	215E+06	185E+07	310E+06	301E+06	126E+06	141E+06	197E+06	413E+06	475E+06	132E+07	356E+06	393E+06	358E+06	353E+06	355E+06
CARNOSINE	769E+05	000E+00	320E+06	637E+06	155E+06	651E+05	341E+05	379E+06	817E+06	493E+06	243E+05	107E+06	505E+05	112E+06	499E+06	493E+06	487E+06	108E+06	458E+05	621E+05	769E+05	222E+06	803E+06	417E+06	286E+06	269E+06	265E+06	248E+06	261E+06
5-HYDROXYLYSINE	136E+06	338E+03	691E+05	744E+05	295E+06	161E+06	177E+06	105E+06	108E+06	995E+05	813E+05	183E+06	217E+06	227E+06	676E+05	743E+05	779E+05	107E+06	157E+06	149E+06	211E+06	461E+05	715E+05	341E+05	125E+06	124E+06	125E+06	119E+06	121E+06
L-ANSERINE	456E+04	000E+00	411E+05	438E+05	202E+06	872E+05	250E+04	521E+05	103E+06	774E+05	410E+04	453E+05	233E+04	349E+05	383E+05	341E+05	610E+05	249E+05	193E+05	214E+05	224E+05	211E+05	619E+05	360E+05	504E+05	471E+05	442E+05	482E+05	457E+05
L-CARNITINE	494E+08	112E+05	282E+08	320E+08	916E+08	571E+08	635E+08	369E+08	416E+08	376E+08	327E+08	637E+08	703E+08	742E+08	251E+08	292E+08	295E+08	412E+08	555E+08	523E+08	703E+08	203E+08	284E+08	173E+08	446E+08	448E+08	444E+08	421E+08	436E+08
S-Adenosylmethionine	129E+06	000E+00	118E+06	137E+06	164E+06	135E+06	101E+06	135E+06	191E+06	147E+06	824E+05	172E+06	139E+06	149E+06	876E+05	158E+06	116E+06	115E+06	130E+06	148E+06	145E+06	100E+06	192E+06	859E+05	129E+06	139E+06	148E+06	131E+06	129E+06
GLYCINE	744E+06	359E+05	236E+07	251E+07	114E+07	985E+06	806E+06	298E+07	347E+07	316E+07	884E+06	128E+07	810E+06	955E+06	235E+07	299E+07	265E+07	995E+06	774E+06	710E+06	862E+06	185E+07	308E+07	246E+07	186E+07	184E+07	197E+07	188E+07	192E+07
L-SERINE	148E+07	305E+06	512E+07	535E+07	215E+07	200E+07	139E+07	518E+07	644E+07	614E+07	157E+07	223E+07	153E+07	302E+07	397E+07	397E+07	468E+07	216E+07	160E+07	129E+07	164E+07	300E+07	476E+07	271E+07	334E+07	347E+07	362E+07	345E+07	347E+07
DEOXYCARNITINE	133E+07	000E+00	157E+07	159E+07	291E+07	202E+07	151E+07	132E+07	206E+07	243E+07	123E+07	230E+07	195E+07	367E+07	153E+07	141E+07	170E+07	181E+07	162E+07	178E+07	214E+07	117E+07	221E+07	105E+07	173E+07	187E+07	187E+07	177E+07	176E+07
L-ASPARAGINE	644E+06	210E+05	263E+07	248E+07	838E+06	952E+06	595E+06	235E+07	247E+07	244E+07	597E+06	100E+07	761E+06	159E+07	154E+07	209E+07	210E+07	796E+06	830E+06	668E+06	665E+06	155E+07	230E+07	153E+07	147E+07	149E+07	159E+07	144E+07	144E+07
ETHANOLAMINE_PHOSPHATE	406E+06	000E+00	708E+06	415E+06	440E+06	474E+06	428E+06	773E+06	515E+06	433E+06	768E+06	108E+07	533E+06	526E+06	581E+06	505E+06	108E+07	394E+06	348E+06	399E+06	600E+06	444E+06	426E+06	103E+07	546E+06	622E+06	575E+06	574E+06	582E+06
GUANIDINOACETATE	145E+06	000E+00	162E+06	138E+06	197E+06	186E+06	156E+06	175E+06	195E+06	267E+06	205E+06	216E+06	148E+06	192E+06	661E+05	880E+05	148E+06	157E+06	156E+06	182E+06	167E+06	139E+06	260E+06	102E+06	159E+06	164E+06	181E+06	168E+06	158E+06
2-DEOXY-D-GLUCOSE	419E+08	129E+05	309E+08	380E+08	410E+08	410E+08	419E+08	350E+08	383E+08	319E+08	335E+08	422E+08	423E+08	380E+08	341E+08	389E+08	365E+08	324E+08	421E+08	397E+08	395E+08	322E+08	408E+08	341E+08	375E+08	386E+08	382E+08	369E+08	374E+08
TAURINE	419E+08	129E+05	309E+08	380E+08	410E+08	410E+08	419E+08	350E+08	383E+08	319E+08	335E+08	422E+08	423E+08	380E+08	341E+08	389E+08	365E+08	324E+08	421E+08	397E+08	395E+08	322E+08	408E+08	341E+08	375E+08	386E+08	382E+08	369E+08	374E+08
L-GLUTAMINE	598E+08	264E+05	365E+08	510E+08	706E+08	584E+08	503E+08	474E+08	495E+08	495E+08	419E+08	691E+08	643E+08	849E+08	300E+08	643E+08	455E+08	525E+08	595E+08	590E+08	617E+08	330E+08	586E+08	349E+08	512E+08	540E+08	549E+08	526E+08	524E+08
4-HYDROXY-PROLINE	203E+06	000E+00	130E+07	138E+07	327E+06	210E+06	149E+06	983E+06	900E+06	168E+07	147E+06	511E+06	162E+06	245E+06	443E+06	100E+06	119E+07	466E+06	333E+06	317E+06	273E+06	399E+06	960E+06	762E+05	488E+06	566E+06	489E+06	448E+06	540E+06
L-THREONINE	203E+07	903E+05	730E+07	613E+07	334E+07	220E+07	172E+07	696E+07	948E+07	737E+07	206E+07	375E+07	217E+07	238E+07	723E+07	744E+07	772E+07	345E+07	227E+07	220E+07	203E+07	355E+07	590E+07	442E+07	439E+07	458E+07	460E+07	442E+07	458E+07
PHOSPHOCHOLINE	474E+07	655E+04	850E+07	980E+07	753E+07	622E+07	461E+07	112E+08	135E+08	101E+08	924E+07	117E+08	743E+07	962E+07	889E+07	792E+07	108E+08	524E+07	632E+07	631E+07	627E+07	557E+07	940E+07	792E+07	835E+07	823E+07	798E+07	801E+07	794E+07
L-ASPARTATE	258E+07	126E+06	651E+07	585E+07	569E+07	774E+07	280E+07	870E+07	131E+08	880E+07	943E+07	684E+07	517E+07	466E+07	529E+07	105E+08	708E+07	278E+07	504E+07	427E+07	290E+07	616E+07	957E+07	753E+07	654E+07	668E+07	676E+07	652E+07	674E+07
L-GLUTAMIC_ACID	286E+08	868E+06	383E+08	503E+08	500E+08	359E+08	256E+08	414E+08	520E+08	512E+08	369E+08	468E+08	445E+08	363E+08	277E+08	354E+08	407E+08	312E+08	395E+08	386E+08	359E+08	314E+08	523E+08	195E+08	379E+08	375E+08	385E+08	370E+08	376E+08
1-NH2-CYCLOPROPANE-1-CARBOXYLATE	276E+07	722E+05	418E+07	494E+07	407E+07	317E+07	232E+07	433E+07	539E+07	506E+07	308E+07	421E+07	369E+07	322E+07	345E+07	421E+07	437E+07	291E+07	342E+07	337E+07	306E+07	300E+07	483E+07	247E+07	372E+07	375E+07	377E+07	362E+07	370E+07
GLYCERO-3-PHOSPHOCHOLINE	308E+07	633E+05	623E+07	657E+07	441E+07	373E+07	209E+07	690E+07	871E+07	765E+07	506E+07	688E+07	533E+07	428E+07	370E+07	472E+07	654E+07	292E+07	372E+07	365E+07	350E+07	529E+07	826E+07	360E+07	512E+07	488E+07	468E+07	446E+07	498E+07
CREATINE	544E+09	258E+05	284E+09	442E+09	746E+09	598E+09	487E+09	406E+09	597E+09	448E+09	342E+09	685E+09	632E+09	677E+09	336E+09	533E+09	395E+09	426E+09	538E+09	519E+09	551E+09	334E+09	614E+09	306E+09	513E+09	496E+09	483E+09	464E+09	484E+09
CREATININE	501E+07	000E+00	226E+07	355E+07	645E+07	511E+07	383E+07	337E+07	514E+07	385E+07	272E+07	582E+07	539E+07	574E+07	275E+07	452E+07	326E+07	379E+07	479E+07	437E+07	474E+07	281E+07	510E+07	243E+07	446E+07	421E+07	417E+07	380E+07	425E+07
CITRULLINE	123E+07	158E+05	161E+07	146E+07	193E+07	142E+07	108E+07	170E+07	196E+07	191E+07	105E+07	164E+07	149E+07	174E+07	190E+07	116E+07	149E+07	157E+07	115E+07	122E+07	144E+07	724E+06	155E+07	649E+06	140E+07	138E+07	142E+07	142E+07	141E+07
ALPHA-AMINOADIPATE	190E+06	361E+03	565E+06	506E+06	555E+06	184E+06	195E+06	496E+06	495E+06	830E+06	335E+06	470E+06	267E+06	275E+06	395E+06	202E+06	467E+06	657E+06	132E+06	216E+06	337E+06	498E+06	879E+06	278E+06	395E+06	406E+06	405E+06	372E+06	373E+06
TRIGONELLINE	575E+06	276E+05	163E+07	211E+07	112E+07	718E+06	373E+06	112E+07	289E+07	230E+07	356E+06	848E+06	454E+06	574E+06	782E+06	928E+06	147E+07	669E+06	480E+06	517E+06	677E+06	127E+07	240E+07	773E+06	113E+07	111E+07	105E+07	101E+07	104E+07
L-PROLINE	643E+07	724E+05	355E+08	294E+08	160E+08	662E+07	497E+07	237E+08	371E+08	317E+08	508E+07	133E+08	575E+07	958E+07	205E+08	233E+08	349E+08	103E+08	621E+07	887E+07	531E+07	126E+08	218E+08	139E+08	165E+08	157E+08	165E+08	162E+08	159E+08
ALLANTOIN	118E+06	290E+03	168E+06	137E+06	165E+06	105E+06	105E+06	119E+06	136E+06	118E+06	109E+06	136E+06	941E+05	137E+06	145E+06	146E+06	140E+06	175E+06	784E+05	100E+06	109E+06	143E+06	118E+06	163E+06	125E+06	128E+06	116E+06	128E+06	122E+06
4-GUANIDINOBUTANOATE	451E+05	205E+04	105E+06	568E+05	137E+06	835E+05	601E+05	720E+05	810E+05	115E+06	109E+06	988E+05	364E+05	751E+05	136E+06	174E+04	857E+05	152E+06	692E+05	889E+05	121E+06	338E+05	171E+05	243E+05	577E+05	837E+05	540E+05	595E+05	683E+05
CYTIDINE_5-DIPHOSPHOCHOLINE	152E+06	000E+00	884E+05	682E+05	255E+06	189E+06	107E+06	890E+05	109E+06	821E+05	898E+05	242E+06	177E+06	183E+06	343E+05	412E+05	827E+05	111E+06	127E+06	143E+06	118E+06	796E+05	159E+06	279E+05	117E+06	121E+06	108E+06	106E+06	114E+06
CYTOSINE	183E+07	000E+00	166E+07	304E+07	194E+07	207E+07	181E+07	271E+07	513E+07	258E+07	134E+07	249E+07	208E+07	200E+07	197E+07	515E+07	294E+07	132E+07	168E+07	160E+07	165E+07	265E+07	421E+07	203E+07	254E+07	237E+07	245E+07	238E+07	240E+07
ADENINE	810E+06	193E+05	810E+06	196E+07	202E+07	232E+07	102E+07	161E+07	425E+07	217E+07	105E+07	196E+07	192E+07	161E+07	952E+06	000E+00	356E+06	119E+07	141E+07	118E+07	112E+07	347E+06	256E+07	000E+00	128E+07	122E+07	118E+07	114E+07	117E+07
UROCANATE	274E+06	197E+06	205E+06	229E+06	607E+06	216E+06	253E+06	193E+06	505E+06	462E+06	364E+06	145E+06	148E+06	852E+05	119E+06	180E+06	616E+06	102E+06	123E+06	896E+05	126E+06	240E+06	186E+06	194E+06	623E+06	599E+06	606E+06	590E+06	584E+06
NICOTINAMIDE_MONONUCLEOTIDE	214E+06	000E+00	401E+06	622E+06	308E+06	554E+06	263E+06	649E+06	114E+07	776E+06	542E+06	514E+06	389E+06	324E+06	394E+06	131E+07	322E+06	378E+06	345E+06	201E+06	289E+06	168E+06	304E+06	126E+06	445E+06	398E+06	447E+06	495E+06	444E+06
CREATINE_PHOSPHATE	120E+07	000E+00	300E+07	260E+07	116E+07	542E+06	712E+06	340E+07	353E+07	281E+07	942E+06	207E+07	111E+07	136E+07	315E+07	495E+07	558E+07	839E+06	140E+07	139E+07	749E+06	414E+07	378E+07	287E+07	154E+07	157E+07	139E+07	124E+07	135E+07
DIHYDROOROTATE	324E+06	435E+03	178E+06	254E+06	292E+06	314E+06	246E+06	231E+06	290E+06	206E+06	198E+06	288E+06	307E+06	274E+06	189E+06	275E+06	202E+06	198E+06	229E+06	226E+06	243E+06	200E+06	284E+06	207E+06	233E+06	234E+06	230E+06	228E+06	240E+06
GLUCOSE_1-PHOSPHATE	400E+07	000E+00	277E+07	479E+07	222E+07	344E+07	329E+07	458E+07	481E+07	245E+07	346E+07	164E+07	317E+07	273E+07	390E+07	403E+07	336E+07	115E+07	313E+07	215E+07	183E+07	483E+07	660E+07	469E+07	278E+07	267E+07	273E+07	241E+07	246E+07
N-Acetyl-4-O-acetylneuraminic_acid	352E+06	157E+04	255E+06	454E+06	368E+06	398E+06	234E+06	332E+06	545E+06	367E+06	245E+06	451E+06	372E+06	325E+06	300E+06	494E+06	418E+06	240E+06	398E+06	392E+06	408E+06	340E+06	573E+06	489E+06	411E+06	400E+06	376E+06	391E+06	360E+06
GLYCEROL_3-PHOSPHATE	360E+07	155E+04	226E+07	271E+07	324E+07	301E+07	250E+07	252E+07	323E+07	321E+07	180E+07	425E+07	299E+07	377E+07	184E+07	272E+07	269E+07	177E+07	318E+07	361E+07	228E+07	206E+07	372E+07	102E+07	275E+07	285E+07	277E+07	266E+07	265E+07
L-PIPECOLIC_ACID	290E+06	524E+04	132E+07	106E+07	273E+06	224E+06	225E+06	517E+06	162E+07	166E+07	141E+06	424E+06	153E+06	297E+06	336E+06	121E+07	961E+06	382E+06	251E+06	319E+06	351E+06	747E+06	188E+07	783E+06	623E+06	630E+06	715E+06	710E+06	660E+06
L-METHIONINE	101E+07	000E+00	408E+07	426E+07	255E+07	939E+06	153E+06	426E+07	834E+07	453E+07	161E+06	321E+07	954E+06	125E+07	276E+07	417E+07	545E+07	199E+07	380E+05	495E+05	427E+06	131E+07	413E+07	178E+07	224E+07	225E+07	224E+07	232E+07	227E+07
LYXOSE	575E+05	187E+03	231E+06	240E+06	135E+06	512E+05	327E+04	246E+06	478E+06	268E+06	353E+04	192E+06	492E+05	649E+05	156E+06	237E+06	313E+06	116E+06	995E+03	431E+03	202E+05	750E+05	236E+06	110E+06	124E+06	127E+06	131E+06	135E+06	124E+06
GUANINE	469E+05	674E+03	199E+06	186E+06	117E+06	432E+05	336E+04	210E+06	356E+06	226E+06	189E+04	148E+06	422E+05	558E+05	134E+06	171E+06	237E+06	857E+05	118E+05	478E+03	168E+05	204E+06	196E+06	771E+05	901E+05	119E+06	110E+06	109E+06	106E+06
5,6-DIHYDRO_URACIL	366E+05	000E+00	124E+06	135E+06	294E+06	110E+06	685E+05	114E+06	176E+06	134E+06	106E+06	172E+06	524E+05	259E+06	834E+05	122E+06	119E+05	165E+06	230E+05	163E+06	988E+05	118E+06	145E+06	755E+05	132E+06	136E+06	133E+06	135E+06	135E+06
N-ACETYL-ASPARTIC_ACID	182E+06	322E+03	142E+06	113E+06	508E+06	326E+06	164E+06	251E+06	588E+06	231E+06	698E+06	870E+06	504E+06	470E+06	243E+06	296E+06	283E+06	368E+06	596E+06	737E+06	478E+06	112E+06	175E+06	191E+06	352E+06	329E+06	367E+06	356E+06	366E+06
HYPOXANTHINE	909E+07	173E+05	623E+07	247E+06	257E+08	134E+08	125E+08	817E+07	150E+04	546E+07	734E+07	113E+08	111E+08	161E+08	414E+07	103E+04	580E+03	220E+08	670E+07	107E+08	195E+08	108E+08	600E+06	660E+06	849E+07	825E+07	802E+07	807E+07	803E+07
L-TYROSINE	406E+07	329E+05	883E+07	766E+07	115E+08	385E+07	248E+07	647E+07	924E+07	799E+07	233E+07	918E+07	286E+07	714E+07	550E+07	571E+07	861E+07	737E+07	360E+07	358E+07	339E+07	406E+07	787E+07	429E+07	585E+07	570E+07	580E+07	573E+07	576E+07
NICOTINAMIDE	534E+08	000E+00	380E+08	613E+08	106E+09	657E+08	683E+08	458E+08	705E+08	411E+08	385E+08	738E+08	613E+08	709E+08	394E+08	703E+08	550E+08	750E+08	699E+08	691E+08	102E+09	461E+08	575E+08	499E+08	604E+08	595E+08	575E+08	562E+08	585E+08
ADENOSINE_5-MONOPHOSPHATE	557E+08	000E+00	190E+08	104E+08	523E+08	492E+08	328E+08	157E+08	139E+08	204E+08	331E+08	556E+08	444E+08	493E+08	134E+08	158E+08	208E+08	500E+08	348E+08	427E+08	373E+08	200E+08	250E+08	150E+08	345E+08	334E+08	337E+08	313E+08	318E+08
OPHTHALMIC_ACID	548E+05	000E+00	365E+06	227E+06	362E+06	881E+05	544E+05	302E+06	384E+06	347E+06	142E+06	121E+06	169E+06	815E+05	479E+06	198E+07	199E+06	299E+06	322E+05	720E+05	135E+06	271E+06	420E+06	975E+06	354E+06	329E+06	315E+06	305E+06	337E+06
XANTHINE	164E+07	343E+04	261E+07	153E+07	499E+07	305E+07	243E+07	404E+07	121E+07	302E+07	172E+07	353E+07	265E+07	299E+07	308E+07	000E+00	151E+07	390E+07	259E+07	274E+07	445E+07	340E+07	184E+07	362E+07	251E+07	247E+07	246E+07	273E+07	263E+07
URIDINE_5-MONOPHOSPHATE	806E+06	000E+00	772E+06	492E+06	685E+06	439E+06	451E+06	783E+06	745E+06	845E+06	507E+06	862E+06	582E+06	640E+06	769E+06	694E+06	101E+07	559E+06	491E+06	651E+06	127E+06	791E+06	958E+06	136E+07	658E+06	661E+06	656E+06	641E+06	672E+06
N-ACETYL-GLUTAMIC_ACID	215E+05	000E+00	359E+05	167E+05	319E+05	274E+05	187E+05	551E+05	317E+05	349E+05	739E+05	563E+05	114E+05	134E+05	150E+05	227E+05	398E+05	248E+05	183E+05	297E+05	152E+05	176E+05	212E+05	369E+05	310E+05	283E+05	241E+05	264E+05	288E+05
GUANOSINE_5-PHOSPHATE	229E+07	000E+00	164E+07	996E+06	266E+07	190E+07	191E+07	152E+07	131E+07	862E+06	120E+07	258E+07	197E+07	235E+07	165E+07	110E+07	164E+07	184E+07	116E+07	190E+07	282E+07	252E+07	219E+07	144E+07	187E+07	187E+07	188E+07	176E+07	186E+07
URIDINE	210E+06	000E+00	268E+06	562E+06	379E+06	311E+06	241E+06	518E+06	103E+07	550E+06	197E+06	405E+06	295E+06	299E+06	433E+06	120E+07	664E+06	236E+06	260E+06	222E+06	278E+06	301E+06	804E+06	377E+06	429E+06	432E+06	436E+06	425E+06	465E+06
URACIL	167E+07	000E+00	228E+07	436E+07	293E+07	239E+07	186E+07	404E+07	802E+07	417E+07	155E+07	326E+07	224E+07	244E+07	332E+07	914E+07	517E+07	200E+07	200E+07	172E+07	226E+07	249E+07	626E+07	302E+07	363E+07	349E+07	352E+07	331E+07	344E+07
ADENOSINE_3,5-DIPHOSPHATE	246E+07	000E+00	496E+04	700E+06	464E+07	170E+07	891E+06	919E+06	149E+07	216E+07	136E+07	592E+07	432E+07	377E+07	934E+06	113E+07	133E+07	196E+07	388E+07	318E+07	254E+07	921E+06	238E+07	758E+06	190E+07	205E+07	179E+07	179E+07	193E+07
INOSINE_5-MONOPHOSPHATE	164E+07	000E+00	547E+07	542E+07	125E+08	224E+07	978E+07	567E+07	424E+07	260E+07	207E+07	412E+07	593E+07	873E+07	667E+07	261E+07	528E+07	166E+07	231E+07	399E+07	846E+07	430E+07	287E+07	815E+07	531E+07	558E+07	606E+07	543E+07	530E+07
NAD	141E+07	000E+00	350E+06	430E+06	202E+07	157E+07	755E+06	603E+06	104E+07	106E+07	798E+06	249E+07	208E+07	210E+07	212E+06	553E+06	550E+06	703E+06	141E+07	147E+07	876E+06	290E+06	139E+07	109E+06	104E+07	979E+06	896E+06	865E+06	882E+06
GUANOSINE	288E+06	361E+03	267E+07	480E+07	140E+07	844E+06	538E+06	437E+07	811E+07	393E+07	651E+06	138E+07	650E+06	891E+06	378E+07	718E+07	407E+07	127E+07	719E+06	626E+06	115E+07	275E+07	650E+07	271E+07	262E+07	264E+07	264E+07	286E+07	281E+07
INOSINE	289E+07	000E+00	392E+07	839E+07	486E+07	307E+07	291E+07	667E+07	144E+08	489E+07	152E+07	427E+07	402E+07	327E+07	566E+07	128E+08	910E+07	329E+07	221E+07	293E+07	431E+07	397E+03	720E+07	620E+07	618E+07	654E+07	710E+07	783E+07	816E+07
L-PHENYLALANINE	698E+07	270E+05	156E+08	149E+08	163E+08	661E+07	401E+07	165E+08	297E+08	184E+08	467E+07	131E+08	716E+07	118E+08	246E+08	279E+08	246E+08	129E+08	568E+07	726E+07	720E+07	106E+08	159E+08	171E+08	129E+08	131E+08	130E+08	130E+08	133E+08
THYMINE	727E+05	000E+00	984E+05	135E+06	201E+06	100E+06	871E+05	158E+06	251E+06	106E+06	820E+05	241E+06	114E+06	157E+06	982E+05	217E+06	245E+06	116E+06	838E+05	778E+05	121E+06	138E+06	166E+06	170E+06	139E+06	135E+06	136E+06	134E+06	127E+06
L-TRYPTOPHAN	146E+07	403E+04	404E+07	299E+07	627E+07	190E+07	419E+06	267E+07	471E+07	399E+07	106E+07	283E+07	155E+07	260E+07	271E+07	287E+07	344E+07	536E+07	119E+07	108E+07	165E+07	245E+07	407E+07	213E+07	275E+07	279E+07	268E+07	266E+07	247E+07
PANTOTHENIC_ACID	227E+07	000E+00	829E+06	122E+07	717E+07	591E+07	294E+07	259E+07	362E+07	174E+07	315E+07	355E+07	609E+07	230E+07	345E+07	627E+07	198E+07	272E+07	249E+07	276E+07	266E+07	970E+06	182E+07	212E+07	291E+07	288E+07	290E+07	294E+07	290E+07
5-METHYLTHIOADENOSINE	235E+06	947E+03	497E+05	613E+05	918E+05	908E+05	863E+05	668E+05	141E+06	135E+06	909E+05	977E+05	660E+05	693E+05	378E+05	209E+04	289E+05	164E+06	793E+05	143E+06	682E+05	238E+06	968E+05	125E+04	456E+05	415E+05	428E+05	485E+05	502E+05
XANTHURENIC_ACID	168E+06	000E+00	343E+06	131E+06	426E+06	328E+06	339E+06	293E+06	147E+06	397E+06	332E+06	387E+06	387E+06	355E+06	294E+06	177E+06	157E+06	502E+06	231E+06	406E+06	356E+06	292E+06	137E+06	105E+06	237E+06	242E+06	277E+06	307E+06	315E+06
HIPPURATE	531E+05	000E+00	189E+06	904E+05	165E+06	796E+05	340E+05	164E+06	123E+06	150E+06	805E+05	661E+05	884E+05	225E+05	218E+06	242E+05	154E+06	169E+06	308E+05	766E+05	337E+05	191E+05	428E+05	182E+05	829E+05	784E+05	856E+05	786E+05	845E+05
RIBOFLAVIN	351E+05	000E+00	285E+05	396E+05	846E+05	340E+05	156E+05	328E+05	899E+05	466E+05	149E+05	575E+05	427E+05	304E+05	271E+05	693E+05	326E+05	310E+05	338E+05	550E+05	416E+05	394E+05	499E+05	283E+05	434E+05	452E+05	447E+05	438E+05	440E+05
FERULATE	217E+06	212E+06	285E+06	213E+06	267E+06	216E+06	219E+06	279E+06	223E+06	247E+06	252E+06	214E+06	212E+06	240E+06	275E+06	202E+06	229E+06	252E+06	199E+06	208E+06	240E+06	214E+06	215E+06	225E+06	196E+06	230E+06	208E+06	245E+06	219E+06
GLYCERALDEHYDE_3-P_DIETHYL_ACETAL	219E+08	566E+07	119E+08	263E+08	707E+07	311E+08	320E+08	926E+07	803E+07	433E+07	362E+08	717E+07	946E+07	630E+07	500E+07	231E+08	168E+08	594E+07	365E+08	302E+08	190E+08	143E+08	697E+07	663E+07	111E+08	109E+08	123E+08	132E+08	144E+08
LAUROYLCARNITINE	629E+06	000E+00	395E+05	717E+05	312E+06	159E+07	418E+06	105E+06	235E+06	923E+05	769E+06	872E+06	789E+06	584E+06	525E+05	375E+06	917E+05	372E+06	105E+07	897E+06	311E+06	116E+06	279E+06	728E+05	412E+06	424E+06	381E+06	363E+06	327E+06
OMEGA-HYDROXYDODECANOIC_ACID	903E+05	123E+06	981E+05	899E+05	915E+05	987E+05	900E+05	941E+05	958E+05	935E+05	936E+05	865E+05	905E+05	882E+05	932E+05	897E+05	882E+05	780E+05	860E+05	955E+05	943E+05	824E+05	970E+05	963E+05	893E+05	943E+05	975E+05	892E+05	898E+05
SPHINGANINE	227E+05	000E+00	356E+05	484E+05	107E+05	729E+04	781E+04	422E+05	555E+05	470E+05	152E+05	128E+05	103E+05	198E+05	277E+05	188E+05	451E+05	420E+05	200E+05	182E+05	229E+05	769E+05	989E+05	332E+05	297E+05	309E+05	285E+05	234E+05	216E+05
3-(4-HYDROXYPHENYL)PYRUVATE	276E+06	253E+06	255E+06	245E+06	250E+06	238E+06	234E+06	238E+06	224E+06	233E+06	237E+06	275E+06	247E+06	233E+06	245E+06	221E+06	235E+06	285E+06	249E+06	250E+06	255E+06	259E+06	271E+06	275E+06	276E+06	295E+06	251E+06	242E+06	234E+06
GLYCEROL_MYRISTATE	213E+06	189E+06	225E+06	220E+06	226E+06	236E+06	214E+06	219E+06	193E+06	209E+06	207E+06	208E+06	182E+06	191E+06	195E+06	201E+06	215E+06	194E+06	224E+06	224E+06	216E+06	228E+06	232E+06	247E+06	206E+06	207E+06	222E+06	188E+06	197E+06
LEUKOTRIENE_B4	227E+06	306E+06	252E+06	193E+06	187E+06	188E+06	177E+06	181E+06	180E+06	187E+06	192E+06	231E+06	181E+06	178E+06	187E+06	164E+06	152E+06	201E+06	167E+06	185E+06	192E+06	221E+06	200E+06	207E+06	246E+06	233E+06	192E+06	168E+06	159E+06
RETINOATE	115E+06	687E+03	978E+05	919E+05	265E+06	142E+06	941E+05	458E+05	474E+05	694E+05	109E+06	233E+06	809E+05	112E+06	300E+05	640E+05	158E+06	270E+06	266E+06	230E+06	232E+06	569E+05	133E+06	882E+05	145E+06	146E+06	108E+06	103E+06	885E+05
1-OLEOYL-RAC-GLYCEROL	122E+07	144E+05	467E+06	432E+06	671E+06	983E+06	854E+06	472E+06	474E+06	305E+06	976E+06	948E+06	330E+06	218E+06	312E+06	204E+07	114E+07	866E+06	144E+07	140E+07	111E+07	153E+07	115E+07	244E+07	110E+07	111E+07	854E+06	670E+06	616E+06
MS_METABOLITE_DATA_END
#METABOLITES
METABOLITES_START
metabolite_name	RT (min)
SPERMIDINE	0.63221525
L-ORNITHINE	0.66787123
L-LYSINE	0.67232768
HISTAMINE	0.6959755
3-METHYLHISTAMINE	0.70934627
N,N,N-TRIMETHYL-LYSINE	0.73163195
DIETHANOLAMINE	0.73608795
CHOLINE	0.74500282
L-ARGININE	0.74945876
L-HISTIDINE	0.74945876
3-Methylhistidine	0.74945876
EPINEPHRINE	0.74945876
4-AMINOBUTANOATE	0.75391727
CARNOSINE	0.75391727
5-HYDROXYLYSINE	0.75391727
L-ANSERINE	0.75391727
L-CARNITINE	0.75837363
S-Adenosylmethionine	0.76728815
GLYCINE	0.77174446
L-SERINE	0.77620253
DEOXYCARNITINE	0.77620253
L-ASPARAGINE	0.77620253
ETHANOLAMINE_PHOSPHATE	0.78065895
GUANIDINOACETATE	0.78065895
2-DEOXY-D-GLUCOSE	0.78511532
TAURINE	0.78511532
L-GLUTAMINE	0.78957348
4-HYDROXY-PROLINE	0.78957348
L-THREONINE	0.79402992
PHOSPHOCHOLINE	0.79848827
L-ASPARTATE	0.79848827
L-GLUTAMIC_ACID	0.8029442
1-NH2-CYCLOPROPANE-1-CARBOXYLATE	0.8029442
GLYCERO-3-PHOSPHOCHOLINE	0.81185903
CREATINE	0.82522992
CREATININE	0.82522992
CITRULLINE	0.83860075
ALPHA-AMINOADIPATE	0.85642965
TRIGONELLINE	0.86980051
L-PROLINE	0.87425692
ALLANTOIN	0.87425692
4-GUANIDINOBUTANOATE	0.87425692
CYTIDINE_5-DIPHOSPHOCHOLINE	0.88317143
CYTOSINE	0.91882785
ADENINE	0.93348825
UROCANATE	0.93348825
NICOTINAMIDE_MONONUCLEOTIDE	0.93348825
CREATINE_PHOSPHATE	0.96468805
DIHYDROOROTATE	0.9736008
GLUCOSE_1-PHOSPHATE	0.9825154
N-Acetyl-4-O-acetylneuraminic_acid	0.99142968
GLYCEROL_3-PHOSPHATE	0.99588622
L-PIPECOLIC_ACID	1.0819446
L-METHIONINE	1.1502154
LYXOSE	1.1502154
GUANINE	1.1502154
5,6-DIHYDRO_URACIL	1.1962235
N-ACETYL-ASPARTIC_ACID	1.3535197
HYPOXANTHINE	1.4484614
L-TYROSINE	1.4484614
NICOTINAMIDE	1.5344779
ADENOSINE_5-MONOPHOSPHATE	1.5478487
OPHTHALMIC_ACID	1.6013341
XANTHINE	1.6637323
URIDINE_5-MONOPHOSPHATE	1.7052448
N-ACETYL-GLUTAMIC_ACID	1.7988428
GUANOSINE_5-PHOSPHATE	1.8746136
URIDINE	1.883528
URACIL	1.8879844
ADENOSINE_3,5-DIPHOSPHATE	2.1152929
INOSINE_5-MONOPHOSPHATE	2.2445468
NAD	2.4228305
GUANOSINE	3.0824724
INOSINE	3.1493287
L-PHENYLALANINE	3.390008
THYMINE	5.1906544
L-TRYPTOPHAN	5.2753378
PANTOTHENIC_ACID	5.6631005
5-METHYLTHIOADENOSINE	6.5663442
XANTHURENIC_ACID	6.7936527
HIPPURATE	7.1056468
RIBOFLAVIN	8.4930244
FERULATE	9.0869912
GLYCERALDEHYDE_3-P_DIETHYL_ACETAL	10.8604939999999
LAUROYLCARNITINE	10.998663
OMEGA-HYDROXYDODECANOIC_ACID	11.616109
SPHINGANINE	11.616109
3-(4-HYDROXYPHENYL)PYRUVATE	12.30184
GLYCEROL_MYRISTATE	13.2224679999999
LEUKOTRIENE_B4	13.657616
RETINOATE	13.770455
1-OLEOYL-RAC-GLYCEROL	14.1788469999999
METABOLITES_END
#END