#METABOLOMICS WORKBENCH darren.creek@monash.edu_20180813_180820 DATATRACK_ID:1475 STUDY_ID:ST001033 ANALYSIS_ID:AN001694 PROJECT_ID:PR000691
VERSION             	1
CREATED_ON             	August 14, 2018, 12:30 pm
#PROJECT
PR:PROJECT_TITLE                 	A Potent, in vivo Active Antimalarial Series Based on a Triazolopyrazine Core:
PR:PROJECT_TITLE                 	Open Source Malaria Series 4
PR:PROJECT_SUMMARY               	The mode of action of a representative active compound was investigated using an
PR:PROJECT_SUMMARY               	unbiased metabolomics approach, which has previously been shown to reveal both
PR:PROJECT_SUMMARY               	novel and established modes of action of antimalarials (Creek et al 2016, DOI:
PR:PROJECT_SUMMARY               	10.1128/AAC.01226-16). The active antimalarial OSM-S-313, and the inactive
PR:PROJECT_SUMMARY               	analogue OSM-S-291, were incubated with trophozoite stage P. falciparum
PR:PROJECT_SUMMARY               	parasites for five hours alongside reference compounds including atovaquone
PR:PROJECT_SUMMARY               	(ATV), chloroquine (CQ), dihydroartemisisin (DHA) and three PfATP4 inhibitors,
PR:PROJECT_SUMMARY               	MMV00073, MMV397264 and MMV390482. Metabolomics analysis of cell pellets and
PR:PROJECT_SUMMARY               	spent media allowed reproducible detection of diverse metabolites from a range
PR:PROJECT_SUMMARY               	of metabolic pathways, with the most significant OSM-S-313-induced perturbations
PR:PROJECT_SUMMARY               	observed within peptide, lipid and energy metabolism, suggesting a specific
PR:PROJECT_SUMMARY               	impact on parasite metabolism.
PR:INSTITUTE                     	Monash University
PR:LAST_NAME                     	Creek
PR:FIRST_NAME                    	Darren
PR:ADDRESS                       	Monash Institute of Pharmaceutical Sciences, 381 Royal Parade, Parkville,
PR:ADDRESS                       	Melbourne, Victoria, 3052, Australia
PR:EMAIL                         	darren.creek@monash.edu
PR:PHONE                         	+61 (0) 3 9903 9249
#STUDY
ST:STUDY_TITLE                   	Determination of mode of action of anti-malalrial drugs using untargeted
ST:STUDY_TITLE                   	metabolomics
ST:STUDY_SUMMARY                 	The mode of action of a representative active compound was investigated using an
ST:STUDY_SUMMARY                 	unbiased metabolomics approach, which has previously been shown to reveal both
ST:STUDY_SUMMARY                 	novel and established modes of action of antimalarials (Creek et al 2016, DOI:
ST:STUDY_SUMMARY                 	10.1128/AAC.01226-16). The active antimalarial OSM-S-313, and the inactive
ST:STUDY_SUMMARY                 	analogue OSM-S-291, were incubated with trophozoite stage P. falciparum
ST:STUDY_SUMMARY                 	parasites for five hours alongside reference compounds including atovaquone
ST:STUDY_SUMMARY                 	(ATV), chloroquine (CQ), dihydroartemisisin (DHA) and three PfATP4 inhibitors,
ST:STUDY_SUMMARY                 	MMV00073, MMV397264 and MMV390482. Metabolomics analysis of cell pellets and
ST:STUDY_SUMMARY                 	spent media allowed reproducible detection of diverse metabolites from a range
ST:STUDY_SUMMARY                 	of metabolic pathways, with the most significant OSM-S-313-induced perturbations
ST:STUDY_SUMMARY                 	observed within peptide, lipid and energy metabolism, suggesting a specific
ST:STUDY_SUMMARY                 	impact on parasite metabolism.
ST:INSTITUTE                     	Monash University
ST:LAST_NAME                     	Creek
ST:FIRST_NAME                    	Darren
ST:ADDRESS                       	Monash Institute of Pharmaceutical Sciences, 381 Royal Parade, Parkville,
ST:ADDRESS                       	Melbourne, Victoria, 3052, Australia
ST:EMAIL                         	darren.creek@monash.edu
ST:PHONE                         	+61 (0) 3 9903 9249
#SUBJECT
SU:SUBJECT_TYPE                  	Cultured cells
SU:SUBJECT_SPECIES               	Plasmodium falciparum
SU:TAXONOMY_ID                   	36329
SU:GENOTYPE_STRAIN               	3D7
SU:SUBJECT_COMMENTS              	Malaria parasite
#SUBJECT_SAMPLE_FACTORS:         	SUBJECT(optional)[tab]SAMPLE[tab]FACTORS(NAME:VALUE pairs separated by |)[tab]Additional sample data
SUBJECT_SAMPLE_FACTORS           	P_000073	P_000073_1	drug treatment:MMV00073	
SUBJECT_SAMPLE_FACTORS           	P_000073	P_000073_2	drug treatment:MMV00073	
SUBJECT_SAMPLE_FACTORS           	P_000073	P_000073_3	drug treatment:MMV00073	
SUBJECT_SAMPLE_FACTORS           	P_000073	P_000073_4	drug treatment:MMV00073	
SUBJECT_SAMPLE_FACTORS           	P_390482	P_390482_1	drug treatment:MMV390482	
SUBJECT_SAMPLE_FACTORS           	P_390482	P_390482_2	drug treatment:MMV390482	
SUBJECT_SAMPLE_FACTORS           	P_390482	P_390482_3	drug treatment:MMV390482	
SUBJECT_SAMPLE_FACTORS           	P_390482	P_390482_4	drug treatment:MMV390482	
SUBJECT_SAMPLE_FACTORS           	P_397264	P_397264_1	drug treatment:MMV397264	
SUBJECT_SAMPLE_FACTORS           	P_397264	P_397264_2	drug treatment:MMV397264	
SUBJECT_SAMPLE_FACTORS           	P_397264	P_397264_3	drug treatment:MMV397264	
SUBJECT_SAMPLE_FACTORS           	P_397264	P_397264_4	drug treatment:MMV397264	
SUBJECT_SAMPLE_FACTORS           	P_ATV	P_ATV_1	drug treatment:Atovaquone	
SUBJECT_SAMPLE_FACTORS           	P_ATV	P_ATV_2	drug treatment:Atovaquone	
SUBJECT_SAMPLE_FACTORS           	P_ATV	P_ATV_3	drug treatment:Atovaquone	
SUBJECT_SAMPLE_FACTORS           	P_ATV	P_ATV_4	drug treatment:Atovaquone	
SUBJECT_SAMPLE_FACTORS           	P_CQ	P_CQ_1	drug treatment:Chloroquine	
SUBJECT_SAMPLE_FACTORS           	P_CQ	P_CQ_2	drug treatment:Chloroquine	
SUBJECT_SAMPLE_FACTORS           	P_CQ	P_CQ_3	drug treatment:Chloroquine	
SUBJECT_SAMPLE_FACTORS           	P_CQ	P_CQ_4	drug treatment:Chloroquine	
SUBJECT_SAMPLE_FACTORS           	P_DHA	P_DHA_1	drug treatment:Dihydroartemisisin	
SUBJECT_SAMPLE_FACTORS           	P_DHA	P_DHA_2	drug treatment:Dihydroartemisisin	
SUBJECT_SAMPLE_FACTORS           	P_DHA	P_DHA_3	drug treatment:Dihydroartemisisin	
SUBJECT_SAMPLE_FACTORS           	P_DHA	P_DHA_4	drug treatment:Dihydroartemisisin	
SUBJECT_SAMPLE_FACTORS           	P_DMSO	P_DMSO_1	drug treatment:DMSO	
SUBJECT_SAMPLE_FACTORS           	P_DMSO	P_DMSO_2	drug treatment:DMSO	
SUBJECT_SAMPLE_FACTORS           	P_DMSO	P_DMSO_3	drug treatment:DMSO	
SUBJECT_SAMPLE_FACTORS           	P_DMSO	P_DMSO_4	drug treatment:DMSO	
SUBJECT_SAMPLE_FACTORS           	P_S291	P_S291_1	drug treatment:OSM-S-291	
SUBJECT_SAMPLE_FACTORS           	P_S291	P_S291_2	drug treatment:OSM-S-291	
SUBJECT_SAMPLE_FACTORS           	P_S291	P_S291_3	drug treatment:OSM-S-291	
SUBJECT_SAMPLE_FACTORS           	P_S291	P_S291_4	drug treatment:OSM-S-291	
SUBJECT_SAMPLE_FACTORS           	P_S313	P_S313_1	drug treatment:OSM-S-313	
SUBJECT_SAMPLE_FACTORS           	P_S313	P_S313_2	drug treatment:OSM-S-313	
SUBJECT_SAMPLE_FACTORS           	P_S313	P_S313_3	drug treatment:OSM-S-313	
SUBJECT_SAMPLE_FACTORS           	P_S313	P_S313_4	drug treatment:OSM-S-313	
#COLLECTION
CO:COLLECTION_SUMMARY            	Plasmodium falciparum (3D7 strain) parasites were cultured in vitro according to
CO:COLLECTION_SUMMARY            	the established method (Trager and Jensen 1976, DOI: 10.1126/science.781840)
CO:COLLECTION_SUMMARY            	with minor modifications and incubated with test compounds as previously
CO:COLLECTION_SUMMARY            	described (Creek et al 2016, DOI: 10.1128/AAC.01226-16). Briefly, parasites were
CO:COLLECTION_SUMMARY            	brought to a tightly synchronous life stage population (within 4 hours of the 48
CO:COLLECTION_SUMMARY            	hour life cycle) by treating with 5% (w/v) sorbitol twice at an interval of 14
CO:COLLECTION_SUMMARY            	hours, and incubated for a further 58 hours to bring all parasites to
CO:COLLECTION_SUMMARY            	mid-trophozoite stage (27-31 hours post infection). These cells were used for
CO:COLLECTION_SUMMARY            	drug treatment and further analysis.
CO:SAMPLE_TYPE                   	Cultured cells
#TREATMENT
TR:TREATMENT_SUMMARY             	In 96 well plates, 200 μl cultures at 7% parasitemia and 3% haematocrit were
TR:TREATMENT_SUMMARY             	incubated with 1 µM of test compounds for a further 5 hours (32-36 hours post
TR:TREATMENT_SUMMARY             	infection). Each compound was incubated in four replicates and untreated
TR:TREATMENT_SUMMARY             	controls were treated with DMSO.
#SAMPLEPREP
SP:SAMPLEPREP_SUMMARY            	After incubation with the test compounds for 5 hours, all red blood cells were
SP:SAMPLEPREP_SUMMARY            	settled at the bottom of the culture wells. Culture medium was carefully removed
SP:SAMPLEPREP_SUMMARY            	and the metabolism of the cells was quenched by placing the plate on ice and
SP:SAMPLEPREP_SUMMARY            	adding ice-cold phosphate buffered saline (PBS) to the culture wells. All
SP:SAMPLEPREP_SUMMARY            	subsequent extraction steps were performed on ice. Cells were centrifuged for 5
SP:SAMPLEPREP_SUMMARY            	min at 400g in a chilled centrifuge at 4°C. The supernatant was carefully
SP:SAMPLEPREP_SUMMARY            	removed and 135 µl of ice-cold methanol (containing internal standards TRIS,
SP:SAMPLEPREP_SUMMARY            	CHAPS, CAPS and PIPES) was added followed by rapid mixing of the cell suspension
SP:SAMPLEPREP_SUMMARY            	using the pipette three times. Spent media samples were also prepared by adding
SP:SAMPLEPREP_SUMMARY            	10 µl of the culture supernatants to 140 µl of ice-cold methanol (containing
SP:SAMPLEPREP_SUMMARY            	internal standards). All samples were agitated on ice for 1 hour and then
SP:SAMPLEPREP_SUMMARY            	centrifuged for 10 min at 1000g in a chilled centrifuge at 4°C. The supernatant
SP:SAMPLEPREP_SUMMARY            	was transferred to glass vials and stored at -80°C until analysis.
#CHROMATOGRAPHY
CH:CHROMATOGRAPHY_SUMMARY        	Metabolite extracts were analysed using hydrophilic interaction (HILIC) liquid
CH:CHROMATOGRAPHY_SUMMARY        	chromatography (LC) and high resolution mass spectrometry on an Orbitrap system.
CH:CHROMATOGRAPHY_TYPE           	HILIC
MS:INSTRUMENT_NAME               	Thermo Q Exactive Orbitrap
CH:COLUMN_NAME                   	ZIC-pHILIC (Merck Sequant) column
CH:FLOW_GRADIENT                 	linear gradient -time, %B as follows: 0min- 80%, 15min- 50%, 18min- 5%, 21min-
CH:FLOW_GRADIENT                 	5%, 24min- 80%, 32min- 80%.
CH:FLOW_RATE                     	300 μL/min
CH:COLUMN_TEMPERATURE            	25°C
CH:SOLVENT_A                     	20 mM ammonium carbonate in water
CH:SOLVENT_B                     	100% acetonitrile
CH:INTERNAL_STANDARD             	internal standards (CHAPS, CAPS, PIPES and TRIS; all at 1 µM)
CH:SAMPLE_INJECTION              	10 μL
#ANALYSIS
AN:ANALYSIS_TYPE                 	MS
#MS
MS:MS_COMMENTS                   	-
MS:INSTRUMENT_NAME               	Thermo Q Exactive Orbitrap
MS:INSTRUMENT_TYPE               	Orbitrap
MS:MS_TYPE                       	ESI
MS:ION_MODE                      	UNSPECIFIED
MS:CAPILLARY_TEMPERATURE         	300°C
MS:CAPILLARY_VOLTAGE             	+50 V
MS:SPRAY_VOLTAGE                 	4kV
MS:RESOLUTION_SETTING            	35000
MS:SCAN_RANGE_MOVERZ             	85- 1275 m/z
#MS_METABOLITE_DATA
MS_METABOLITE_DATA:UNITS         	Peak height
MS_METABOLITE_DATA_START
Samples	P_000073_1	P_000073_2	P_000073_3	P_000073_4	P_390482_1	P_390482_2	P_390482_3	P_390482_4	P_397264_1	P_397264_2	P_397264_3	P_397264_4	P_ATV_1	P_ATV_2	P_ATV_3	P_ATV_4	P_CQ_1	P_CQ_2	P_CQ_3	P_CQ_4	P_DHA_1	P_DHA_2	P_DHA_3	P_DHA_4	P_DMSO_1	P_DMSO_2	P_DMSO_3	P_DMSO_4	P_S291_1	P_S291_2	P_S291_3	P_S291_4	P_S313_1	P_S313_2	P_S313_3	P_S313_4
Factors	drug treatment:MMV00073	drug treatment:MMV00073	drug treatment:MMV00073	drug treatment:MMV00073	drug treatment:MMV390482	drug treatment:MMV390482	drug treatment:MMV390482	drug treatment:MMV390482	drug treatment:MMV397264	drug treatment:MMV397264	drug treatment:MMV397264	drug treatment:MMV397264	drug treatment:Atovaquone	drug treatment:Atovaquone	drug treatment:Atovaquone	drug treatment:Atovaquone	drug treatment:Chloroquine	drug treatment:Chloroquine	drug treatment:Chloroquine	drug treatment:Chloroquine	drug treatment:Dihydroartemisisin	drug treatment:Dihydroartemisisin	drug treatment:Dihydroartemisisin	drug treatment:Dihydroartemisisin	drug treatment:DMSO	drug treatment:DMSO	drug treatment:DMSO	drug treatment:DMSO	drug treatment:OSM-S-291	drug treatment:OSM-S-291	drug treatment:OSM-S-291	drug treatment:OSM-S-291	drug treatment:OSM-S-313	drug treatment:OSM-S-313	drug treatment:OSM-S-313	drug treatment:OSM-S-313
Choline phosphate	11493079	10790535	8861662	11812059	12141188	11851542	10276706	10616261	13893780	8962466	10670365	8869440	14505151	14207368	19686704	18926386	12509494	14373732	13074049	12916272	44163612	42106536	35871380	42207148	18211904	18698354	16020323	15654699	13501043	16126070	16112257	15905515	16305161	12782953	14501632	10505726
Nicotinate	66848	47654	103067	66180	112911	87785	123508	119650	110831	117761	129709	120160	121590	46965	125433	81936	65286	60029	140904.8438	116506.4297	105035.8594	65878.09375	120453.1094	169701.8906	66322.20313	61058.19531	68330.17188	47608.09766	159403.7969	48431.76953	62227.80469	70847.24219	114458.1563	77696.375	107275.9141	104783.1797
CMP	42007	53946	35715	39770	39854	29497	33784	34493	33389	30725	41626	32462	31792	33284	62788	55300	42934	42123	51379.51172	39256.76953	94918.40625	129937.0234	107674.2266	103663.4375	59371.98047	60273.22656	62075.66406	56060.0625	47961.95313	43745.84766	75940.21094	72249.97656	38094.87891	42345.75781	41245.05078	35819.61328
Hercynine	8859457	10174829	10736033	13573259	11000977	9764962	10993747	13921940	7610829	6370428	11423167	10713717	12705864	15440512	10733621	13483216	13595807	14836521	13948139	12514707	10829145	13586833	13351235	16679534	7382138.5	6411735	7754488	8646674	1906394.375	9997590	9458525	11003970	11008415	7396088	15158185	9474806
FA methyl(18:0)	173481	165802	138823	181246	187299	170039	166255	143151	145572	151621	175227	146800	76354	88621	127271	100537	80730	76671	69741.45313	72982.01563	164285.1406	153593.8125	180619.1406	147769.2656	57558.35547	95153.89063	112015.3438	95069.59375	87093.96875	85896.25781	81411.82813	82076.25	171548.5625	206682.6875	149846.125	171558.25
PC(36:3)	8124929	8564436	8277022	8615025	2458844	8375435	2991417	4006463	4414742	3434671	4249428	4055009	5562865	4322191	4700518	2866338	8554142	7169923	5047804	7139378.5	8092479.5	8933710	8611464	8752200	8054150.5	3101274.25	3111426.5	5113915	6629629	8662218	9114797	8761601	8208616.5	8030768	9655553	7496666.5
[SP (16:0)] N-(hexadecanoyl)-sphing-4-enine	838501	874811	904066	847838	913485	617117	776644	733142	789268	592118	885522	473201	918352	887322	797786	831663	963633	934073	980264.875	751029.5625	1040403.375	1043334.125	1041176.188	786150.625	633897.3125	711598.0625	617139.125	617162.0625	324955.25	725416	621349.625	709131.5	782849.875	702672.8125	876520.875	582643.875
FA dimethyl(16:0)	15255587	13419221	12313913	14335985	12807966	14457130	14564633	13270426	15845331	13660499	14647163	15067778	6703154	7218619	10099461	10415301	7535842	9488536	7252146	7052863.5	13544748	13726321	20303732	12491716	9743294	11163488	9604843	10756831	7499867	12017835	7682629	6866746	14115168	15383198	14941498	14999913
Cer(d40:2)	718152	669006	566276	536357	710974	464054	663178	522697	669118	656112	457637	430748	753035	693060	444064	576756	614230	725096	602534.6875	664180.375	868575.875	733492.9375	638057.75	633554.9375	568294.6875	542873.1875	462445.3125	429952.4688	326976.5938	585055.5	376466.25	457287.375	601784.6875	570661.0625	650600.3125	382995.2813
Linoelaidylcarnitine	1275862	1451746	1390094	1308236	1542708	1596805	1452372	1688451	1437922	1257376	1790213	1266813	1064582	1302792	1293733	1145784	1284053	1235083	1249316.625	1205437.25	1514028.125	1567208.125	1512571.75	1451795.75	1017857.063	1182652.125	998811.9375	1061039	932076.5625	1282705.125	1023575.063	1126775.125	1303963.25	1276384	1389388.375	1144906.25
Clavulanic acid	183777	175629	168303	154092	210040	112265	129646	152063	176530	158701	166932	93291	223494	211210	86901	115530	226980	189041	140248.5625	127730.4219	171821.9531	204629.6094	226732.8438	203181.0313	148324.2344	127341.3438	102276.9609	197248.1563	66171.53906	184092.75	130253.1641	101600.6172	212594.6094	128593.9688	176811.2188	126171.2109
PE(30:4)	175280.6719	184315.125	134921.2031	179181.4688	155571.7969	148614.2188	140830.8281	163993.75	139960.9531	99273.10156	131130.6406	153963.4063	198847.7031	152234.8594	162738.9844	223566.0156	138580.125	199765.5313	237612.75	200696.8594	182155.7031	231755.3438	201432.6875	173613.6406	171257.6563	125580.6641	167859.1094	99804.27344	21523.85742	271217.0938	124178.0625	170700.6563	187164.4844	136214.6563	152426.1563	152940.6875
Monomethyl sulfate	131673.1719	138903.5156	125422.7188	142180.5	182721.4531	149681.6875	150287.1719	141390.7813	135908.1406	148420.9688	159525.875	164343.5	171838.7813	196287.1719	137766.6719	165910.4375	175009.6875	174182.7969	166721.0625	184689.875	161720.5	150003.0938	191077.4531	176742.5938	135325.9531	133778.5	117337.2891	102729.7578	64288.61328	143150.7344	130512.0703	124354.9297	151903.2344	140566.7969	151315.5781	172347.4375
PE(31:4)	342880.4375	341593.2813	361247.75	349570.9688	460551.5313	287823.7813	337929.875	298914.2813	319868.9688	296501.125	259174.3125	196192.0625	452477.7813	475868.1875	402064.5313	340959.1875	470011.5938	684951.625	448139.0938	270763.7188	436559.6875	423152.5313	380918.3438	484289.4063	374536.0625	347772.9688	310810.9063	213796	141745.6094	364275.875	171683.5	342947.7188	368857	225803.7188	363909.5	191991.8438
[SP (24:0)] N-(15Z-tetracosenoyl)-sphing-4-enine	2678027	2480574	2545152	2231876.5	2967405.5	2104384.75	2401681.5	2297008	2505348	2508194	1933727.75	1827389.625	3403669.25	2933488.25	2393116.25	2393338.75	2788352.5	3428297	2801609.5	2499932.5	3018202	3323600.75	3045128	2474855	2259600.5	2276807.25	2004696	2048860	558675.25	2245777.75	1959510.875	1937833	2764037	2228014.5	2792109.75	1884385.875
Heptadecanoylcarnitine	737421.125	706293.125	647123	667436	819767.3125	830075.9375	909134.875	810270.4375	809436.6875	636729.3125	807465.625	714469.8125	598123.0625	851195.6875	789773.0625	800541.5625	740264.3125	735163.5	819839.5625	663341.375	844891.75	1084815.5	832447.375	727153.75	625734.0625	754282	563630.5	600557.375	522495.75	656354.5	686142.5625	759654.75	810718.5	676537.8125	816961.9375	528961.875
Psychosine	110102.1797	117516.8203	109768.2813	111598.75	131913.1875	129824.6797	110966.2031	136505.1875	117236.9297	111608.75	116064.7344	111807.5781	89629.27344	102068.2109	113825.2656	104360.5156	109962.1328	105209.2422	112516.4922	91584.83594	137414.5156	121123.9766	110712.6875	113539.5469	85633.67969	95577.15625	93163.71094	79785.88281	94894.35156	96173.125	94215.48438	81509.67188	116768.4219	129722.3359	136131.5625	109162.2031
[SP (24:0)] N-(tetracosanoyl)-sphing-4-enine-1-phosphocholine	6759006.5	6237082	6173550	5484335.5	6671689	6205611	5647718.5	6223438	5345716.5	4869174	5019775.5	4776179.5	7172906	7088077	6332677.5	6300813	5625856.5	6679642.5	6504287.5	6253922	6653199.5	6695472.5	7035113.5	7423614	5650110	5379723.5	4992817.5	4454243.5	2255287	6255457.5	4867247	5406447	6883312.5	5473240.5	6464556	5902445.5
Oleoylcarnitine	5387178	5814307.5	5042543	5381120	6801294	5789781	6265524	6164185	5422360	5390161	5477996	4947906	4486683.5	5279655	5049301	5282886.5	5397937	6115649.5	4874755.5	4746844.5	6664683	6777461	6187112	5719253	4640257.5	5107651	4682763	4395298.5	3571829.75	5026320	4535531.5	4455262.5	5308071	5388692.5	6419793.5	4266901.5
[FA trimethyl(13:0)] 4,8,12-trimethyl-tridecanoic acid	9412502	10086139	8825669	11070433	9121726	8689470	10666128	10476655	11060346	10742750	9672378	10616354	6834623	5517154.5	8369200.5	7308701.5	5128925.5	6644252	6400651	5193581.5	9264973	8846627	16419403	9503139	9280323	8980748	7294879	8038068	7058863.5	11596276	5671248	6307839.5	9971133	14647046	9100848	11737770
D-Ribose	425101.2813	460259.7188	403486.5313	421894.8438	451812.3438	507974.2813	462075.875	487170.5	446975.75	394890.8125	484820.3438	433311.0938	438867.5938	458923.8438	480285.5938	461928.6563	470554.6875	482116.2813	457534.75	401238.9063	576722.0625	460803.875	466826.6875	484687.1875	422148.5313	429081.1563	401839.2188	285164.4063	156421.1094	394688.0938	412072	421554.375	472179.0938	388950.25	499396.4375	389052.7188
SM(d18:1/22:0)	3893581.75	3738908.75	3647437.25	3239734	3934305.25	3874303.75	3634032.5	3473198.75	3247409.5	3668375.75	3077634.75	2904334	4033015.25	3998744.75	3787834.75	3769523.5	4194037.5	3980538	4261083	3562217.75	4036478.25	4050375.5	4746671.5	3894708.75	3440395.5	3205485.5	3182340	3214090.5	1776120.625	3333808.75	2116640.75	3502854.25	4196235	3540197.75	4141302.25	3339939.5
2-amino-3,7-dideoxy-D-threo-hept-6-ulosonate	149503.6094	168876.2344	153507.7813	147559.5938	182392.25	163465.4219	151379.25	179462.1719	142767.4063	124303.5625	140318.875	146657.3125	160610.5156	159858.2969	157470.7969	156141.0156	183421.9219	162451.5781	157533.6406	135743.9531	189985.5469	187537.0469	136914.5156	169905.4375	147120.4063	110548.0703	180670.7813	95854.78906	110552.5	135586.7813	141042.5313	163904.0938	133111.2344	133226.75	152780.125	142545.9375
Ala-Met-Asp-Tyr	1103806.875	1139644.375	1189434.25	957649.375	1400459	1309033.125	1236838.625	1432586.625	1449878.375	1026120.625	1394914	1054954.25	1323106.25	1595848.25	1171181.625	1184076.375	1428409.625	1478314.875	1529652.25	1481580	1336189.25	1317360.375	1445345	1341828.125	1158292.625	1025182.313	1167641.125	923323.25	1098948.375	1315025.125	1365612.125	1478112.375	1250774.75	1189504.25	1426871.25	1155991.5
trans-Hexadec-2-enoylcarnitine	326557	323697.1563	395719.2188	419876.5313	501371.9375	445326.625	459439.4063	480255.9375	418202.25	364100.1875	384040.4375	401033.4063	312756.4688	477572.7188	330691.4688	314246.5	388952.8125	505807.1875	393319.3125	299723.25	449570.2188	362553.1875	360916.75	458570.7813	394099.625	281407.0938	279394.75	343787.4375	237098.8281	261428.1094	337708.75	372727.7813	534634.375	410663.2813	335009.5938	336416.5625
N-stearoyl tyrosine	385647.25	554798.25	378145.25	384144.5938	496732.0938	407495.4063	501049.75	432904.6875	438024.5625	325450.0313	345664	306811.3125	288335.3438	355111.9063	398461.1563	337612.2813	430048.4375	433986.5625	377884.8125	293803.0938	457411.5938	447704.5	439267.6875	411813.0313	362892.2813	413456.0625	312412.0313	310835.625	237099.4844	363110.875	318905.0938	294249.1563	373658.5625	383175	616110.5625	320294.625
Stearoylcarnitine	5079456	5416127	5106236	4553658	5896302	4912259.5	5211389.5	5012302.5	5166804	4089556.5	4660987.5	4263846	4793591	5213383	4893031	4874898.5	5475068	6292152.5	5005960.5	4194135.25	5978097	6083573.5	5609439	5361860.5	4709382	5299310	4315396.5	4152665.25	3502705.75	4848170	4368309.5	4441853.5	4767872	4805998	5730650.5	3943321
PC(34:2)	33632908	75951136	67774048	74933216	73274256	70689504	73243608	67600416	73903192	60898644	74040568	67784248	64629712	78439760	74788224	75573064	69354528	70984912	73920688	73936304	77456288	74126360	74088096	79104288	69052032	31749452	70196920	73998552	57869144	74302288	72216560	76166272	70072168	71661648	77282376	62117652
PI(34:0)	268340.5313	205187.8906	234531.0469	220809.8594	185180.5781	72781.19531	137774.7656	211237.8594	207360.3125	173001.25	168517.7188	149148.3594	250638.9063	283059.375	243171.3281	226970.7969	247574.9375	279745.6563	257964.9063	227874.5781	218707.4844	257656.4688	209957.4844	253219.5469	227190.2031	202813.5	194158.7344	140602.8438	103655.6406	264951.125	207262.9688	160215.0469	206947.2969	255657.125	241624.2813	142612.7813
FA oxo(8:0) oxo-octanoic acid	76472.74219	70949.6875	76274.28125	74481.08594	85212.85156	87027.25	86009.23438	115100.2188	79584.21094	64621.15625	74631.375	75782.17969	81121.14844	65973.75781	58880.60547	61446.66406	62344.49219	65060.90625	77980.40625	66598.75	70914.11719	90029.16406	70619.07813	83104.26563	68130.1875	54025.05469	75382.84375	62990	70589.17188	57714.00391	75109.1875	73925.30469	68077.59375	62239.50391	98888.46875	71644.05469
PI(34:1)	432986.1563	323270.75	322739.4063	369750.5938	311195.0938	467626	300776.6875	320587.5938	300070.1875	294092.4688	337128.1563	266878.8438	395936.6563	411795.5	370846.25	334642.75	362426.5313	438492.875	396866.375	339842.9375	337972.375	395373.8125	360190.9688	403799.5938	335867.8438	343878.0313	310727.2188	256457	156892	431994.375	306338.3125	242802.875	339303.2813	219654.4219	308863.125	234939.9688
PS(42:9)	81689.41406	66315.25781	99026.84375	94963.60938	75355.32813	96096.40625	74650.74219	95402.04688	54251.14063	84060.29688	78310.1875	67251.42188	97458.38281	97120.67969	95049.38281	84424.71875	75088.375	99091.28906	97042.72656	89711.21875	84279.125	94160.53906	94201.75	88923.40625	60467.07422	95926.65625	74982.17969	70304.375	60609.94531	87393.95313	87544.89063	74026.27344	66901.04688	99376.77344	80243.92188	88944.6875
4a-Hydroxytetrahydrobiopterin	614749.75	481850.625	531714.5	432681.125	566895	499554.5938	540891.8125	513688.8125	475316.0313	455623.3438	519126.2813	353693.8438	519129.625	577101.375	536407.5	480124.9063	514618.7813	534670	596991.375	451914.9375	707136.75	590640.25	510711.3125	591647.5	599441.3125	461753.8438	464087.7813	479835.3125	286933.5625	507153.7188	489405.0625	488296.4688	536770.875	414796.4688	617575.25	517166.5938
(24R,24'R)-Fucosterol epoxide	1173548.625	1195939.5	1289695.5	1170167.125	1260765.75	1083596.5	1301935.875	1001110.813	1309258.125	1004665.5	1106940.5	893388.3125	1297614.75	1293930.375	1138844.875	1070717.25	1390169.25	1311472.375	1119118.75	1155067	1330999	1496044.125	1163439.125	1211974.25	1123126.375	1110529.875	1078209.25	1037417.625	715458.75	1091352	776460.4375	772018.875	1177399	1041135.5	1256024.875	753898.6875
alpha-N-Phenylacetyl-L-glutamine	138283.4844	150478.3594	154721	225085.0938	173131.4375	130021.4375	123770.1563	133123.8438	120580.6484	161271.7969	203459.5625	170491.0938	108695.0781	155052.0313	232354.2188	228632.3281	117100.2266	126135.3047	174121.4219	147538.0469	180375.0625	122897.9063	202869.3281	175525.4219	124307.2109	163450	115202.6797	167198.1875	158114.6875	136372.2969	167839.5	204293.2188	109463.9844	99257.11719	183899.9531	108449.1016
Glycerone phosphate	787603.75	827878.6875	707586.9375	850852	499564.5625	463767.3125	501647.4063	487632.5	850561.875	635771.375	860198	948925.125	138759.5938	117554.5625	231929.5938	222097.3594	125713.4141	95161.40625	131797.7813	113419.5078	290115.3438	182423.8438	209779.2031	216183.3906	138670.4844	184761.0313	172231.875	256914.3594	111012.8047	117190.4375	123210.2109	134770.8438	667033.9375	598205.25	582758.875	399962.875
Met-Cys-Cys	3588862	4009561.25	3499953.5	3665781	3771607.25	3093553.5	3762716	3917515.75	4043063.25	2853418.75	3682790.5	2501453.75	3526921.5	4035719.75	4540803.5	4369721	3704507.75	3891010	4402402	3759013.75	3496196.5	3468432	3852252.25	4481800	3034608.75	3381931	3327636.5	3080930.5	806488.75	3516624.5	3229740.75	3512403	3964820.5	2764619.5	4507521	2074152.125
Docosanoic acid	127253.2734	94842.78906	93298.64844	89508.44531	103691.3516	94520.84375	102851.3906	99199.34375	98340.78125	95362.91406	91259.14844	79682.46875	63855.44531	92145.72656	87968.4375	119840.3203	96883.30469	83495.17188	99734.71875	85240.65625	91361.4375	90920.92188	108751.5156	88873.44531	64404.54297	102046.1094	84641.27344	68086.32813	56612.71484	80689.76563	86665.54688	75739.42969	111883.4297	103688.875	110110.3281	94907.14844
SM(d18:2/24:0)	16898698	13823215	14505764	13006126	14703213	14226551	13895592	13674548	12435298	11289571	11561230	12135430	13962567	14151603	14914028	15358832	14020405	14415451	14235381	13442835	15119926	13776723	15345502	14541228	12999061	13057006	12277760	11122793	8998441	14392315	12546412	14174951	14815636	13218137	14005719	12125199
Dodecanedioic acid	97515	70024	89228	82763	89808	84580	87959	97364	88929	74327	73046	74617	69087	92836	93167	73112	90842	69902	88198.94531	69831.3125	88772.08594	100636.6094	84721.85156	77154.25	70766.22656	78979.86719	76254.05469	74349.375	95961.30469	77083.32031	63021.03906	102629.5469	69384.64063	69775.53906	69830.3125	78449.99219
Dodecanoic acid	448078	450877	497005	414626	745385	862172	884749	936967	510167	622648	554956	437954	643767	679620	485627	453042	467315	692367	628210.4375	465446.375	483991.9375	460763.6563	814221.0625	530839.5625	547967.6875	478399.0938	518639.1563	416419.0938	446121	681600.3125	421968.5938	497976.2813	527155.9375	582643.25	506189.6875	602127.9375
PI(32:0)	147571	97525	111131	103109	98711	107867	89163	100259	108460	82106	96009	88158	113574	119722	104787	109675	102131	111587	139798.6875	105314.4063	102438.5234	103547.7109	109284.3906	118263.625	102005.75	103323.9531	96947.42188	70078.76563	43236.64844	119325.4844	96762.42188	78329.78906	76100.9375	118346.625	110256.7188	67074.63281
S-Adenosyl-L-methionine	1221928	1214623	1019612	1101765	1195621	1122797	1277517	1192110	1266456	1072939	1292401	1274507	749425	1003499	1106122	1116124	1158166	1197815	1147328.875	1030884.313	1502443	1522546.25	1155076.75	1263850.25	1137441.625	1188731.375	1117349.75	1290675.625	1052734.625	1041906.375	1098795	1125333.375	1218222.375	1254138.5	1215810.25	938761.5
[SP (16:0)] N-(hexadecanoyl)-sphing-4-enine-1-phosphocholine	40065756	40268496	37723040	37253844	39280708	40204808	40825556	38346448	33810224	32032526	35780880	33441212	39534456	43053044	43915528	40864224	37527632	44945000	41885580	36913752	37332020	38097540	41537536	41174900	33264114	36919752	36129648	31288930	23866836	35872504	35088092	36458196	39632244	36303392	38883488	34098476
Asp-Lys-Lys-Tyr	81242	108768	106109	92362	84250	105039	94906	89840	84261	94129	92397	114369	81880	95445	93834	112300	83349	101510	94235.85156	86719.78906	100768.3984	100741.1484	94980.82813	114817.4375	76060.63281	94113.22656	83160.10938	105225.7969	58773.10938	99029.92188	95789.47656	102841.4375	79565.57813	69467.90625	90196.57813	124838.5078
SM(d34:2)	4658862	5762337	4498936	5318797	5196349	5286387	4790622	4931460	4321778	4440913	5012356	4199845	5488488	5416293	5318378	5398268	5172677	6339741	5186747	4720819	5162973.5	4977794	4953492.5	5228041.5	4497484.5	4425999	4576383.5	4226709	3165565.5	4342579	4479353	5054771	5096657.5	4505607.5	5740918.5	4547430.5
SM(d18:1/22:1(13Z))	3809950	3855198	3350956	3023927	3594624	3092684	3598261	3191327	3169737	2834342	3127962	2936256	3488109	3298664	3678738	3678490	3241618	3439536	3514196.75	3066436	3639264.75	3267992.5	3349522	3366645.25	2884862.25	3173166	3352259.25	2492791.75	2097850.75	3154505.75	3094046	2995283	3512722.25	2981533.5	3237561.5	3043803.5
FA methyl(14:0)	534204	564416	486377	557213	421629	507166	465230	421963	492112	577056	696654	629844	279931	393019	452433	474214	291763	368615	291087.6875	373076.25	524353.0625	544102.5	633630.3125	459554.25	440943.5625	512439.0313	443876.7813	510368.125	415382.4375	362266.125	310343.6875	293354.0313	440868.0938	647916.4375	460768.3125	665568.0625
2-Oxoglutaramate	53323	86617	151782	52321	85359	126386	97848	106264	104168	67921	180664	91950	76236	110426		68767	47904	100759	60710.57422	39799.62891	55361.42578	55371.70703	52016.05859	50311.03516	77921.375	29732.82031	80750.17188		72610.38281	127149.5859	110159.6563	92604.58594	109741.1563	93163.61719	163971.7969	119359.0234
SM(d18:1/18:0)	5495724	5097983	5086588	5021525	5647720	4636390	4978049	4542625	4260910	3835022	4307018	4568496	5104636	4989871	5870430	4960641	4794713	5258852	2753247.75	4624769	5511852.5	4479292	5276812.5	5300359	5038764	4402487	4479658.5	4268744.5	3057613.75	4682104	4314476	4930044.5	5194724	4630407	4784547	4561173.5
6-Acetyl-D-glucose	355190	326538	430807	275600	395782	395287	368753	372468	352810	359896	454380	340991	373220	456147	398544	414540	383562	387854	404940.4375	433647.5	551257.25	412751.3438	361150.5938	430538.1875	391348.375	402992.3438	387605.1563	380086.2188	310284.4375	390117.0938	350829.7188	368520.2188	342005.6875	340408.7188	473903.0938	345072.375
5,8,13,13a-Tetrahydrocolumbamine	1320357	1350353	1249966	1356147	1388803	1490694	1410337	1354307	1302962	1196708	1326271	1187162	1403048	1293563	1198842	1207390	1287556	1080235	1393483.375	1308602.375	1594109.875	1393641.25	1269995.375	1290261.5	1193988.625	1302825.25	1298662.375	1179112.875	1128160.125	1259211.875	1351110.25	1436909.125	1296822	1232382.75	1208283.25	1242720.625
Fagomine	253855	256422	242362	264006	235478	251488	252047	263234	269964	215216	266388	291974	232487	219564	255970	260099	202099	244259	254120.875	199457.125	258792.0625	218108.7813	258030.6563	256250.9844	233512.2344	219781.25	222156.2813	214942.625	160860.0625	207956.875	237865.625	220563.375	204214.6563	264537.7813	243871.8125	213947.1875
PE(P-40:4)	281274	281089	269380	257149	286091	269941	317112	302646	266173	246370	258225	252634	279703	257063	278542	288250	273902	264038	305821.4688	288359.5	304836.1875	330321.75	284780.3125	273111.3125	264810.4688	271709.0625	300667.6563	235308.5781	190824.5313	277829.0625	260369.2031	352280.9688	298995.1875	304435.0625	284556.4688	301404.4375
5-Hydroxytryptophan	462648	457590	561022	519397	673157	673735	670538	695427	598713	583439	639249	741888	742779	843513	685237	754250	670465	715122	826489.8125	701221	726711.125	592154.3125	715860.875	831545.4375	611715.625	653564	734114.4375	591536	192315.4844	626742.125	642791.3125	560688.0625	625274.625	611631.375	736953.8125	776320.5625
3-Dehydrocarnitine	484365	457645	453655	495703	414388	519341	476234	485789	480974	472383	721379	680300	417335	539149	496950	867955	610146	574329	455309.5938	407976.0313	484949.125	632589.1875	455176.9375	509027.2813	523998	552379.625	384880.6563	421688.2188	367189.375	427069.5938	473479.4063	451024.2813	434245.7813	493873.5938	496510.9688	647713.9375
O-Palmitoyl-R-carnitine	2801406	3356415	3311375	3518578	3959022	3110455	3565652	3503054	3493584	2771035	3634766	3452415	2008002	2547776	2826263	3347754	3022752	2743745	2644569.75	2469864.5	2778690	3551794.5	2460472.75	2798733.75	2975720.5	2479275	2438393	2599754.75	1906925.75	2652708	3031193.5	2858792	3389629	3183504.75	3488740.25	3355905.25
N2-Acetyl-L-aminoadipate	2221509	2474258	2158995	2750802	2236541	2693157	2299346	2594911	2625103	2088251	2579726	2664043	1831295	2372924	2373582	2629614	2272997	2023716	2318129.5	2409648.75	2416561.5	2534026.75	2284133.5	2463347	2236222.5	2304393.25	1953741.875	2326383.5	1629821.25	2147475.5	2243428.75	2345381.25	2200200.25	2317008.25	2627854.25	2155417
Indoleacrylicacid	1073698	1017096	1004072	950935	1247321	1178041	1195579	1111906	1216479	952486	1142924	908090	1049848	1050626	1064862	1054283	1138505	1174751	1140294	1056812.375	1118102.25	1303760.625	1015966.813	1033748.438	984862.0625	1062393.75	1041655.125	980804	907906.4375	1107029.25	1121555.375	1151725.25	1158451.5	1031632.563	1255932.125	745557.125
Capryloylglycine	183375	205581	179910	186342	223663	202547	248615	220279	215547	176608	246543	207309	178666	198768	200385	200758	203541	205231	187483.6094	178361.7188	225165.5938	215651.1094	156867.5938	230756.6563	183171.3125	189715.8906	196985.0781	186093.2188	137691.0313	180713.5	196933.0625	200440.7813	196190.375	187442.1406	202589	160240.2188
L-Citrulline	7972078	8510448	7785204	7880078	8710758	9204447	8393502	9785075	8656263	7102086	9635550	8119180	7203900	8028756	9002124	9421802	7469108	8271026	10090055	7739348.5	9384504	8202723.5	8592731	8580573	7446073.5	8756707	8518245	7024617	5016164.5	7761908.5	7715180.5	8329166	8275046	7843578.5	9263241	7385499
N4-(Acetyl-beta-D-glucosaminyl)asparagine	235444	292852	229286	268131	247696	249035	238792	294177	271390	202292	248733	243972	225828	272422	279597	253159	223021	258600	258402.7813	228868.8438	275125.375	251811.9375	243416.9844	281244.3438	250300.2344	237636.7969	245311.5781	227871.5781	167581.25	229700.1719	224508.7344	240155.625	263743	236093.9375	257908.1719	182839.625
SM(d18:1/14:0)	6011745	6486999	5785835	5450450	6247111	6762596	6176458	5969247	5356836	5198950	6154606	5026979	5760135	6455262	6227603	6638737	5842840	6688943	6143984	6118130.5	5834522	5440721	6447905.5	6375668	5276129.5	5892135.5	5763555	5109746	4819568.5	5468440	5318871.5	5853034	5222699	5397766.5	6096260.5	5428292.5
2,3,4,5-Tetrahydrodipicolinate	87608.66406	128367.4844	139696.9844	109149.5391	106508.4688	58719.83594	116245.9922	51258.29688	146998.1094	88411.14844	87858.10156	152130.3125	82759.41406	74238.17188	151277.3438	72683.47656	105836.6953	55438.21094	105506.3203	111415.7656	57457.25391	120429.8672	107657.9766	113347.0625	55741.35547	134314.6563	119877.1875	55282.25391	120200.9219	45719.14844	65257.15625	112560.5781	98037.5625	102535.6563	96632.35156	134440.4375
3-beta-D-Galactosyl-sn-glycerol	376870	370665.0938	336617.6875	346669.5938	405385.4688	365462.75	391020.125	402657.4688	392813.9688	336480.8438	401278.125	386039.7188	322468.8438	353572.75	387580.625	397812.0938	353000.2813	376896.1563	377034.5938	374458.75	384800.875	389244.3125	380235.9063	364237.625	367268.9688	352330.9375	351293.9375	321564.3125	222630.1406	320849.5938	365044.4063	350798.75	342598.0313	353051.4063	425798.5625	305505.4063
[FA (18:1)] 9R,10S-epoxy-12Z-octadecenoic acid	19020.04297	28984.17773	26394.44727	45191.04688	40105.72656	43663.23828	41378.28125	42798.78516	21439.85938	55368.26172	51946.95313	52421.96484	34542.1875	43941.3125	21626.34375	22231.52539	37181.50391	35615.49219	47852.125	37500.36719	62725.39063	48020.34766	39690.21094	21003.28906	20757.74219	49863.875	42896.62891	43729.55859	35293.59375	24308.62305	38629.10547	41417.51953	19637.80273	23848.69727	43782.86328	36417.39453
Ile-Ala	1471449.75	1890971.875	1625490.375	1569093.875	1767803.75	1657097.75	1750060.375	1926035.875	1809833.25	1436220.375	1653211.5	1669249.375	1525877.875	1766037.375	1825331.625	1760683.25	1766275.5	2111117	1669760.625	1562855.75	1762434.375	1920099.125	1506223.75	1757871.875	1553970.75	1539193.75	1639450.125	1641760.625	1095660.125	1458205.5	1749189.375	1581571.875	1626931.875	1642809.25	1837739.125	1291654.5
PE(P-36:5)	122784.5938	147643.0781	130859.9766	123189.1875	129261.7031	124770.9531	153341.6875	136647.8438	148109.1719	107604.2031	114465.1953	105636.3906	121339.2109	150024.5938	148250.2969	160833.9375	116643.8047	128272.1797	148013.2969	136393.1406	123813.8203	113718.3281	151800.4219	140968.4063	126348.8047	120366.4609	120969.4609	119086.4453	57876.42969	107695.4922	121523.0625	123478.4844	115374.8125	107136.6719	165063.5156	118117.5078
SM(d18:2/22:1)	455476.8438	442510.0313	443831.625	430352.2813	490590.5313	438345.0938	444015.5313	476017.125	526663.5625	475386.7813	416112.5	374025.6875	504278.4375	397871.3438	449417.8438	488513.6563	355568.9688	439073.375	494015.5313	463514	384265.6563	495749	540017.4375	548419.75	491504.0313	516612.5313	434113.9063	365318.9063	383912.4375	486061.4063	610327.875	516248.3438	491316.6563	430903.8125	384140.625	540513.3125
Cys-Gly-Pro	1447201.5	1389056	1538554.375	1773066.25	1519513.125	1696531.875	1715568.5	1471762	1924355.125	1169737.625	1510399.125	1439599.625	1295912.25	1448603.75	1370613.125	1219379.375	1528259.125	563890.1875	1951157.5	1802508.875	1458565.375	1399908.125	1255541.875	1354937.875	1253661.125	1346768.625	1296800	1124717	1350152.875	1453127.5	1702311.75	1613365.25	1384966.125	1356310	1826558.875	1403118
N-dimethylethanolamine	157035.2344	92824.10156	75434.70313	146400.125	45396.41797	130857.9297	143240.5313	269167.1875	123640.875	50192.09375	99513.79688	139229.4531	47141.1875	54167.19922	82243.71875	85088.63281	73897.00781	120197.3281	107252.375	104725.5859	78189.92188	114715.6797	112829.8828	102186.5078	152938.6094	64724.03906	78126.00781	79277.30469	154225.6406	80198.32031	59534.33203	172466.375	154375.0938	78311.61719	162626.4219	171085.4531
PE(P-34:1)	607707.125	607343.1875	527007.1875	673591.625	597667.3125	532462.4375	726105.4375	542746.875	551907.25	433225.25	550126.5625	572230.75	776591.8125	587885.4375	494516.5625	638633	532242.625	594504.5625	690151.875	569706.9375	561997.0625	607743.3125	586206.4375	808884.4375	587097.5625	652495.5625	486875.375	632135.3125	531806.375	546225.125	488433.5313	525560.125	669361	591197.0625	576290.125	548194.6875
5'-Methylthioadenosine	1547460.125	1932727.125	2158151.75	2778242.5	1585656.375	2899208.75	2247738.25	2697059.75	1757268.5	1605503.5	2669506.25	3676456	1435312.875	1897596.625	3101747	2913661.5	1487594.625	2115074	2109102.75	2305297	1799637.5	2043859.625	2202364.25	3124896	1069216.375	2007062	2675506	2706236	1115568	1575475.875	2088878	2500398.75	1612460.875	2309131.5	2727363.75	2815098
LysoPC(18:0)	9299855	11047970	9493559	10451196	5869378	5652604.5	6085474.5	5846957	6682094.5	8448783	6805010	9400948	5982824.5	10295728	13270250	13030676	7189495	6056519	7518974.5	6883670.5	11098977	8380932.5	12724174	11692702	8164801	11785142	8838113	11704949	4813840.5	7227530	6513581	5999274.5	5718602.5	10473367	5746422.5	8054842.5
9-Oxononanoic acid	193430	146629.7656	179308.3906	192050.1563	161599.3906	198328.4531	226075.125	262997.9688	209052.4375	182814.6875	191064.8281	190424.7813	178784.1563	225794.625	158733.9688	164288.1875	161913.5469	167109.9375	169065.5938	148884.0625	162101.3281	202671.8906	194737.9531	177186.2344	190374.3906	156882.125	150519.2969	181827.875	187288.2344	218083.5313	142991.4063	190076.9219	186743.5938	214086.5469	244576.9063	187568.25
PC(32:0)	17617266	17014532	15373959	17204184	16197970	16780364	15389170	15357472	17489954	13455016	15974544	15312994	15733268	19143866	18220332	19184456	16111972	18982130	19116216	17756212	18325484	16304661	17293964	18420608	16393215	16586297	15861635	16068742	11596141	16818696	17707818	17641516	15298766	15654608	18339158	13422848
PS(52:0)	224197.0625	199390.0625	191539.9844	209707.0938	202641.2813	209656.2969	175946.7344	200109.0781	213159.2344	183932.625	237450.5938	175494.7344	195564.3906	243292.3906	240538.0469	231577.9531	185232.5156	202315.1406	180015.6563	155213.6875	189018.8125	237783.4219	197016.9688	259730.7969	251309.4688	203474.25	199818.0469	166603.5781	53201.28125	195395.7188	181673.8906	172889.2344	199587.6406	180577.8594	233100.625	154752.4531
N6-Acetyl-N6-hydroxy-L-lysine	260219.9219	288898.1563	283099.25	288755.5313	284329.4375	249895.2031	271551.3125	266714.9688	303833.75	229130.8281	320285.5313	236808.375	218599.0313	296010.1875	298313.1563	340306.5	253529.7656	286373.4063	344344.8438	297176.5313	322870.4375	295363.6875	257412.4688	289570.4688	242658.5	278050.125	288601.1875	277927.0938	218464.3125	262868.7813	266373	312953.3438	268071.9375	240951.6094	312125.5313	209942.2188
SM(d16:1/22:1)	1129977.375	915116.8125	890630.1875	996718.6875	942547.6875	1002638.5	916602.1875	946251.875	1014778.688	822550.4375	677065.625	843168.4375	926967.5	956460.875	1010082.5	1187077.25	887703.625	1309083.625	1051920.375	1095092.5	1050844.625	833509.0625	1138283.875	998362.0625	1011729.625	1037867.25	863678.0625	843485.125	656663.75	867190.0625	808225.375	927755.6875	937726.5625	949532.125	1116423.25	782909
LysoPC(O-18:2)	391592.1563	398454.0313	394598.8438	385696.5	414359.5313	362097.3125	396132.5625	383147.25	372157.9063	392383.6563	419259.75	434119.9063	337136.2188	407067.3438	361533.0625	377191.1875	368741.0313	415527.8125	413429.4063	397299.2813	355792.3125	405466.375	447868.5	377871.9375	362968.4063	420466.0313	316576.4688	385932.2813	311590.1563	343344.3125	340149.0313	346538.5625	418525.1563	357720.6875	404321.0938	285266.7188
2-phthalimidoglutarate	228317.0938	261375.2656	291435.4375	271159.875	320390.3125	261663.7969	387113.1875	283771.125	297312.5313	281082.1875	330025.7813	295076.8125	312322.6875	285416.5313	265083.0938	300590.0313	255282.3594	289288.4063	288584.0313	277480.125	299500.1875	282002.1563	243375.1875	274056.9375	240446.125	267209.1875	271727.8438	249579.9063	257502.0625	247248.9375	301256.9375	317145.25	260856.6563	274040.0313	248725.0156	313789.4375
N,N-Dihydroxy-L-tyrosine	107269.1328	116811.2969	140255.4375	112935.9219	115497.7109	121205.9375	107028.9375	100203.8359	119287.7266	76391.66406	87611.00781	85099.60938	97794.94531	105031.3906	108921.6094	134042.1875	110103.1406	110181.5781	103297.3047	104033.9297	100096.5781	126723.0859	88692.0625	120282.1875	93792.97656	116033	98934.16406	99737.00781	72028.9375	88120.17969	101246.4141	100485.5938	113840.1797	91440.19531	117384.7656	89305.24219
D-Glucono-1,5-lactone	3917630.5	4222481	3814658.5	4265248	4057295.75	4340280	4187979.5	4303186	4241383.5	3627022.25	4662552	4196405	3632542.75	4021119	4593810.5	4414719.5	4156660.75	4232399.5	4249444.5	3841472.5	4548286	4139804.5	4085977.75	4440507	4026269.25	4131571.5	3975396.75	4015117.25	2601875.75	3634933.75	3799125.75	3939503.5	4089115.5	3768095.75	4639070	3328005
Asn-Cys-Cys	184705.3281	213332.3281	249047.9219	235176.6875	184326.9375	225599.1719	214796.9063	276503.25	204393.8594	210480.5469	220166.25	320443	223114.5156	220508.8125	229638.0156	278552.7813	202185.2188	212482	241609.3594	239406.2188	131435.0469	209652.4531	224927.4531	235189.3906	156988.7813	190179.0156	208006.9688	198927.5625	148149.4375	196661.3438	168582.5	226033.0313	164110.4531	228187.0781	201018.4531	321214.0625
O-Acetylcarnitine	21929158	23603012	18551830	22392844	20629250	22791360	21069040	23696084	25749126	18873630	22697220	22097868	19426706	21262166	22085230	23475550	21447042	24582554	21373004	19560208	25485426	22347950	20637338	20916482	20579362	20919874	20531616	22222824	17795900	24114376	21548958	22121920	21983454	20664328	23828852	20470748
SM(d18:2/24:1)	5961499	4689758.5	4913335.5	5298421.5	5021528.5	5260945	5386150	5689535	4560376.5	4375767.5	4372910	4775863.5	4606550.5	4711745.5	5542192.5	5113488	4738411.5	5127777.5	5469334.5	5125465.5	5047276.5	5059927	5164413	5007786	4947475	4868371	5383780	3955987.5	3190201	4913042	5130289	5146059	4912996.5	4782740.5	5095393.5	4206765.5
SM(d44:1)	1030446.313	886998.25	1028732.875	1088524.375	966475.4375	1176043.75	981767.625	1064306.25	1010749.375	869442.9375	906623.4375	819093.8125	952774.375	1067145.125	1066384.75	1011985.75	955249.25	1221684	1087659.125	1011280.125	1062880.75	1040350.438	918427.125	1077695.125	1033107.563	1040544.188	960609.4375	839421.125	287033.8125	1058886.5	1031147.688	908036	1053862.625	1017637.25	1068653.5	643480.125
Methacholine	7553048	6267739	6145953.5	6264188	6803816.5	6632676.5	6237475	7083091	7299884	5682121	7145370.5	6526352	5732178	6844826.5	6573845.5	6314270.5	6454605	6300920	6904406.5	6929676.5	7070912.5	7856261	5929130	7203186	6218590	6773545	7300548.5	6255961.5	5045660.5	6594690.5	7417389	6651301	6525538	6573373.5	7324275	5723394
Amurensine	160716.8125	220379.9688	143142.9531	233710.5625	150509.1094	87102.57813	105381.8672	117684.7969	127027.1484	237693.6094	129806.1172	223034.2344	126192.875	245153.0781	214140.4844	259240.2031	156641.4063	146556.4531	86649.03125	138751.9531	193388.6563	136155.7344	177541.4219	259741.1094	171655.4219	197144.7188	179548.625	178411.0625		132882.8594	50089.36328	111118.4688	82928.89063	240417.5469	128168.5234	247408.3906
N-Acetyl-L-leucine	1374454.75	1423078.5	1286659.25	1556971.625	1425328.125	1678155	1461967	1454563.75	1615304.875	1202081.375	1522390.75	1534601	1299896	1801679.375	1558781.75	1491720.875	1366289.375	1385431.25	1303712.875	1454672.375	1629123.25	1666733.5	1402257.375	1473758.875	1583132.375	1498210.625	1424339.625	1364737.5	968898.75	1238383.25	1423617.875	1370788.625	1441130.25	1218891.5	1518053.375	1337106.75
Muramic acid	1729899.25	1992894.875	1656548.375	1668002	1720259.75	1508841	1750906.875	1691379.375	1753514.5	1316117.125	1631138.625	1579007.875	1293340.25	1750044.5	1876999.875	1827854	1707847.5	1571787.625	1653146.125	1618150.625	1795458.75	1731695.25	1526812.125	1639631.875	1582638.5	1623087.25	1553207.75	1614138.875	1337885.5	1529158.375	1519447	2074281.875	1737556.75	1566991.375	1820224.625	1346506.75
4-Trimethylammoniobutanoate	7894411	6905059	6965005.5	6988891	7290108.5	7200189	6833745.5	7863257	7972433	6186543	7932681	7220950.5	6562157	7556431	6938984.5	6925653.5	6776010.5	6658789	7901816.5	6657111	7774017	8342876.5	6531524	8172345.5	7011457.5	7420551.5	7846239.5	7092632.5	5667655.5	7181942.5	8094029	7482433	6547552.5	7159164.5	7807904.5	5918690
N-acetyl -D- glucosaminitol	684915.5625	712581.4375	692244.5	696503.9375	767692.9375	685580.9375	656954.5625	719611.875	821356.875	564886	717735.125	761941.6875	612539	718464.5	718145.5	741914.8125	651948.75	692013	646001.125	699010.25	827189.875	679112.875	650188.4375	657694.375	673976.875	725109.5625	644700.625	643694.25	486451.2188	622947.125	659867	652796.5625	728411.0625	648944.6875	721269.6875	679136.3125
Procollagen 5-(D-galactosyloxy)-L-lysine	122222.1563	152017.8906	124828.0078	132473.0469	150546.5156	117536.3906	120437.7578	126785.2578	141334.6406	108845.0859	129020.6563	131112.4844	139355.7031	139581.5469	132414.8125	139232.7188	133122.1406	109556.5625	128160.5234	138717.3281	161935.9844	101067.7031	120756.2813	110590.6406	129650.6094	119194.0703	114683.6016	108820.5391	92114.79688	120772.6328	111602.125	129190.5156	115171.0469	128246.2969	133167.6094	91780.47656
Guanidinoacetate	148054.5625	163520.0469	192932.1719	150900.0313	150981.1563	196103.0938	174818.4219	148925.375	161533.9531	98499.83594	184339.2188	162938.8594	130200.4141	150732.9063	168834.2969	157470.0625	150935.8594	148042.3906	138148.125	128262.6875	188566.375	176010.9375	121927.8984	138086.4531	140711.2188	155910.8438	153491.5938	147410.8281	115030.3359	154186.4531	157293.1563	212975.2344	173212.6406	184234.1563	152855.8438	176630.2031
PE(20:2(11Z,14Z)/P-18:1(11Z))	345921.1563	342964.9063	351695.1563	316762.6875	338594.9063	348722.2813	300999.0625	345245.75	308048.875	273133.0313	332137.6875	287219.1563	282749.8438	355681	346839.75	370160.0938	317327.625	334343.5625	339305.2188	331142.375	303318.4063	296894.0938	354350.125	326273.2188	296060.5	306204.5	321104.4063	302882.75	201730.8438	323958.5938	322218.7813	336134.0625	342148.9375	314832.5938	335352.125	278829.6875
O-Butanoylcarnitine	371453.25	516418.0938	459149.6875	382467.6563	401723.875	382385.3438	388628.25	405555.9375	422796.2813	376045.2188	461299.0625	381953.0625	369398.3125	361149.25	444453.6875	358676.4375	375984.9688	390815.7188	359761.9688	451772.8438	505015.25	414396.375	390573.9063	396465.5	390728.3125	404180.7188	429138.5313	410065.9063	375831.6563	399325.3125	358356.4688	384034.3438	385482.7813	409457.25	400336.6875	363472.5625
Ectoine	200227.4219	181204.3125	212361.2969	254970.7344	226818.6563	269976.8125	238623.4063	281568.8438	194026.6719	148798.0938	216622.4844	227565.9844	180986.7188	255481.3125	336719.5625	314868.1563	165445.0781	263087.7188	263317.1563	312341.875	152005.5938	218763.9688	215835.9531	247883.9844	143392.0469	277484.3125	217560.9531	163286.8125	50386.05469	154768.1719	175948.8594	195886.7031	178569.5469	193438.4063	278961.5	211574.2031
Sedoheptulose	80520.875	95397.24219	77614.52344	87452.9375	84340.54688	88252.28125	81579.39063	78650.57813	93069.80469	72014.25	90861.375	75100.09375	77223.75	79782.10938	101219.4219	90342.96094	94015.79688	80091.20313	80835.42188	79692.30469	92360.80469	91852.79688	84636.96094	86919.75781	84616.85938	82219.23438	89258.57813	85886.85156	59469.94531	79858.65625	79258.51563	85463.66406	84878.79688	79679.28906	96054.53125	66454.34375
PE(O-38:5)	6036074	5732200.5	5801978	5307496	5472351	5115323	5482222.5	4740290	5219511	6252891.5	5925180	5421397	5656067	5539762.5	5348814.5	6318650	4883808.5	5806438	6133341.5	5208719.5	5091191.5	5702575.5	5282942	5288495	4958585.5	5570033	5260474	4754950.5	3697785.25	4963460	5511451	5274104	5330864.5	5121246.5	5453943	4372411.5
SM(d38:1)	3577793.75	3685566.5	4108449.75	3642964.5	3668985.75	3694537.75	3526512.25	3467695	3274195	2935957.75	3315618	3102644.75	3130834.5	3331369.75	3414531.75	4058356.25	3322567.75	3371589	3389978.5	3227173.5	4309820.5	3772445.5	3314564.75	3611813.25	3418698.5	3400870	4035178.5	3581222.75	2676701.5	3569863.25	3796006.25	3772328.5	3203362	3695167.5	3833214	2869401.25
4-Aminobenzoate	739057.875	781998.4375	800406.625	1140517.75	1107777.75	1008779.188	935528.6875	874699.25	860196.3125	828960.25	1112684.125	887972	782759.1875	895922.125	885900.25	817504.4375	818465.125	851656.25	1062410	741395.6875	1005640.938	788777.1875	982415.8125	855921.1875	926211.625	891339.875	877505.625	809678.625	692419.625	777542.875	897805.25	825312.6875	979817.5625	818281.3125	859513	880147.8125
N-Acetyl-D-glucosaminate	517036.0313	535939.6875	494587.25	530194.625	559926.875	506602.5625	530385.8125	564024.25	543471.9375	480800.6563	593434.75	506655.1875	438591.5313	571111.75	560616.9375	555761.75	523900.875	515185.4063	545497.0625	508710.4688	591641	562992.125	524933.875	528802.875	518441.625	509563.3438	539435.6875	569796.3125	1012348.25	507942.1875	517088.5938	504360.75	551259.5625	498245.875	580847.4375	385160.4375
N-Ethylmaleimide	125131.6875	159099.0313	147820.1719	199432.5156	156385.125	182852.1719	171206.3594	172974.0625	176829.4219	163131.7344	209768.6094	191755.25	134675.7344	156267.1563	169831.6719	211672.4375	161612.1094	178944.0625	177815.2656	188606.7031	164905.1563	203417.5313	154164.6563	191249.25	135610.5313	175253.2813	171414.7969	209909.7656	112127	153449.9375	142309.0781	162537.7813	161010.125	159957.0938	175222.3281	151731.9375
O-Propanoylcarnitine	2394617.5	2568101.5	2048870.625	2397127.5	2504308.5	2557637.75	2231865	2404915.25	2513066.25	2146598.5	2421200.25	2810015.5	2021907.375	2322697	2731441.5	2864088	2455561	2258271.25	2324935.75	2256164.25	2713649.25	2850202.75	1977347.625	2075907	2340150	2429609.25	2301075.5	2256874	1918039.125	2148009.25	2273415.5	2422999.75	2389438.25	2318316.75	2345269	2188313.25
Mannitol	37110032	39552436	38248408	37132052	39557264	40976940	45310788	39878040	42652440	35101844	44627924	38646084	35262076	41671896	42710520	40533760	37351404	39909700	40733128	37321340	40109740	38609196	40792700	40296488	40422540	39557904	39023844	35997744	28679020	37212600	38921520	38357672	41534676	39642084	44770376	37170796
PE(36:2)	535483.125	580903.5625	541563.1875	497933.8438	446998.2813	474526.8125	559671.125	505768.0625	534674.1875	465408.125	550982.625	539693.375	497921.5313	523913.625	539774.1875	532841.25	480878.5938	535986.9375	555868	481737.1563	518961.625	487877.5	593107.1875	569932.8125	523734.9688	560371.375	515792.7188	504847.5625	438188.9063	480147.4688	468141.7188	570347.875	500917.875	519469.875	511219.4063	531631.9375
Gibberellin A20	244107.9219	229001.0313	169800.9844	164078.9375	229005.4375	204924.0625	230030.5313	174027.6563	190246.3594	218746.1094	148866.1406	252960.2656	194250.2813	170308.4063	152206.1563	208713.3125	202243.1094	157297.6563	183596.3281	224123.0781	163082.9844	166288.8906	250889.1094	226614	176452.9688	218887.1094	226245.6094	161882.0938	111757.4375	138734.0469	147017.1719	203513.3438	200366.2031	190186.5938	213857.0781	185584.5
PA(36:5)	94743.35156	108639.2734	103172.7656	92357.49219	111306.3203	87021.99219	89945.21875	94033.70313	105967.2578	76217.16406	84667.11719	107112.0938	83386.46875	116319.6328	103395.3906	110517.5078	76611.42188	95578.14063	82489.875	87581.95313	74457.50781	92617.32031	92471.25	113134.2734	80191.4375	95795.91406	89583.64063	96793.77344	59152.67188	96906.78125	86885.66406	89235.61719	88102.14063	86828.50781	102701.6484	60406.18359
Met-Ala-Gly	1489498	1544802	1433570.25	1371787.625	1486108.875	1502622.125	1361058	1631761.875	1396160.875	905343.9375	1177706.75	1084254.25	1771664.375	1906276.5	1670025.875	1919571	1673097	1941165.625	1693937.75	1373305.5	1393098.375	1365411.875	1212438.25	1766685.625	1377754	1525397.375	1416095.75	1264010.125	399506.125	1496280.125	1323899	1459958.75	1434994.125	1115876	1400476	704807.25
PC(34:1)	83578456	86669824	77510440	84272192	84842448	79951864	84148472	76871504	80440176	68659560	79978208	79080816	77089520	91594336	60497316	88748312	78885400	83026448	85594720	84403232	91355216	79603344	82491192	89521216	79846168	83733208	82965728	88006040	65235268	89110240	84580064	85333952	78690960	82761040	88206728	72589760
PA(34:2)	965721.9375	920913.8125	826479.1875	809340.5625	728432.8125	725529.1875	861082.5625	796715.25	777037	627877.5625	736731.1875	753496.25	719352.5	838117.8125	869695.75	906121.4375	705779.0625	759362.8125	839993.9375	789825.0625	716589.375	916382.0625	835691.9375	750835.875	734739.8125	861679.5625	804741.1875	743782.625	540226.375	728166.6875	790513.0625	812404.3125	825776.5	694138.875	837008.875	505587.2188
PA(34:1)	1233916.5	1273521.875	1066639.5	1211672.5	1066642.625	925800.6875	1163796.375	1027624.375	1014236.25	873688.5	995989.3125	1014136.25	980520.6875	1095854.875	1207923.25	1346513.875	921227.4375	1019158.688	1132698.5	1017173.75	950870.625	1116075.5	1134967.625	1019911.875	971909.8125	1100633.375	1055013	1005417.563	596852.5	928539.5	961464.5	1012324.625	1052370.75	998252.25	983542.5625	666039.625
Asp-Gly-Arg	187700.5625	249700.375	214851.5938	197737.8594	199664.8281	194640.8594	221511.8125	211263.1719	202255.7031	154158.9219	198572.6406	181907.9844	175632.2344	202923.5469	222466.0781	227814.0313	177959.3281	178223.6406	205905.6719	181904.4531	196392.9219	218844.625	185515.2656	210169.5156	184892.375	222529.3906	217234.9688	171184.9375	143447.375	210348.0938	219929.625	195950.3125	171962.625	185068.5625	188543.0625	173334.7813
flaviolin	58348.22266	86833.625	69905.125	59634.84766	69961.85938	78985.44531	83828.33594	54011.625	55282.78125	66756.10156	85265.83594	46801.14453	55873.37891	83160.32813	78576.39063	56472.3125	64467.875	80166.9375	72696.47656	66449.50781	76787.07031	59850.69141	111745.1875	73064.50781	62404.83594	81340.03125	84721.25781	88261.09375	45126.98047	76430.09375	58491.25	62495.28906	57294.48828	79568.25	78127.125	53436.53516
Slaframine	3987614	4375120.5	3498763.75	4339753.5	4091515.75	4140242.5	4075509	4772663	4285050	3187527.5	4558730.5	3350856.75	3322022.5	4004072.5	4215834.5	4157829	4719048.5	4036844.25	3914605.75	3751647.75	4442055	4111233	3839935.75	3736538.75	3958358	4271295	3748818.5	3937690.25	2596961.75	3364579	3684673	4409587	4023091.25	3789312.5	4171684	3277933.5
[FA (5:2)] 2,4-pentadienoic acid	239348.8906	280026.6563	245724.4531	297355.9688	256057.6563	263985.875	267943.75	331540.5625	265332.375	256669.8438	282003.1563	288034.9688	203994.4219	290303.9688	284294.5	273538.75	248129.8438	253173.1094	240925.8281	239104.9375	273558.0625	233844.4531	263687.375	249415.1719	226869.2031	275228.4375	253280.9531	251638.4063	225359.8906	279581.1875	245810.25	262903.125	278201.3438	240503.5938	261520.2813	247273.7344
4-Pyridoxolactone	186219.75	194232.6406	166761.6719	170172.5313	162768.6875	175091.7969	189904.7969	170955.9688	166132.7344	159051.7656	180361.9531	190010.1719	166587.1406	202693.9375	173491.4375	194264.0156	177072.9844	222057.0313	180460.2656	158557.4375	186059.8906	173545.5313	180108.5	179616.7031	197810.2969	169685.0313	190764.7031	153244.75	149881.8438	164312.7813	218811.875	178257.375	137451.2188	186436.6719	148579.9531	199481.9531
[SP (26:0)] N-(17Z-hexacosenoyl)-sphing-4-enine-1-phosphocholine	1914326.25	1535010	1613769.125	1743628.875	1428581.625	2032163.125	1639833.5	1728516	1656727.625	1473456.625	1780577.625	1470055.875	1475637.875	1686726	1819642.375	1864130.5	1572823.625	1703342.25	1821691.5	1693897.875	1736091.5	1621629.625	1440855	1800560.375	1544843.5	1770670.375	1605007.25	1607102.125	742707.375	1709461.25	1602431.5	1611236.125	1830464.5	1655318.875	1718725.5	1248857.75
N-Acetylornithine	540431.75	586880.75	485893.0313	564512.8125	485747.4375	473530.4375	601320.625	467102.1563	557596.625	473396.25	596410.125	513424.3125	409205.25	525871.1875	549324.5	584979.1875	529844.4375	498378.5	469890.5	488726.5	574835.25	545121.625	589993.0625	495950.3438	561669.6875	566488.25	533131.4375	525899.375	443956.875	494047.75	478201.3438	574517	485982.5938	500716.5	514406.375	439867.9375
Asp-Arg	81397.19531	88189.35938	75558.88281	80045.50781	117886.8594	115319.0859	116354.5703	98972.625	86874.48438	70690.96875	90234.34375	78791.57031	78017.23438	77978.28125	75243.59375	92441.90625	75823.82031	99077.39063	94422.57031	76768.79688	92310.82031	99568.44531	90736.94531	96926.35156	95137.70313	84907.34375	88670.98438	108795.0781	73243.4375	81558.17969	99647.70313	96592.61719	92404.61719	75842.28125	102600.3047	74973.14063
PE(36:4)	4191260.5	4209650	4304187.5	3991960.75	4165204.75	3610442.75	4060229	3835195.25	3957280	3536056.75	4403943.5	4123501.5	3657029	3718581.25	3968388.5	4406958.5	4021816.75	3963399.25	3740242.75	3767439.5	4123055.5	3851740.5	4108572.75	3622043.5	3704994.5	4055474.75	4170037.75	3708247.5	3893001.75	3776798.75	4047656.25	4102278.25	4051289.25	3791214.25	4078742.25	3388705.25
PE(P-36:4)	1979620.875	1965401.625	2259650	1918917	1985594.5	1791165.375	1908873	1765460.25	1729043.125	2094043	1943726	980323	1907516.5	2042869.25	2156975.75	2551389.75	1950471	961971.25	1979750.875	1948743.75	2026763.375	2028952.125	2126358.75	1940095.25	1793182.125	2055251.5	2163125	2077990.625	1853870.375	2071311.25	2067798.375	1607334.5	2098265.5	1926038.875	2062483.75	1824057.125
PA(36:4)	482807.4063	476918.0313	437512.7188	491260.6875	438457.7188	430239	529008.875	391419.9688	377448.0938	376344.9688	424725	410031.8125	367288.25	477591.3125	494966.0938	515755.2188	421922.0313	430352.1875	420487.3125	506058.7813	350851.125	398250.125	450400.5313	421421.7813	384492.2188	399366.9063	431110.25	399921.875	308415.9688	401767.3125	406018.4063	486494.6563	430907.75	394515.9688	419613.6875	300858.3125
Pyridoxine phosphate	246727.0781	225475.375	211339.7188	245831.6094	188166.125	172198.375	204241.3594	191993.4688	215174.4844	194289	204710.25	193101.6719	181259.2656	205949.9375	223820.5938	230672.0625	228052.3125	218854.7031	203451.4688	198612.375	211875.3125	218508.0938	198683.5156	219627.9844	206095.7031	216824.0625	219524.4063	204142.9531	167945.6094	204857.4844	196912.8438	197353.5313	197996.0625	184584.5469	236427.625	153012.3906
Creatinine	215030.8281	399856.0938	512016.6875	459841.1563	456632.0625	502486.2188	471719.8125	459448.0625	405540.0938	284849.2188	554889.4375	505682.6563	329582.6875	541887.0625	359320.5313	428054.9375	474678.1875	416021.9688	482524.1563	419491.8125	374887.9375	393891.2813	508923.0313	384521.2188	346740.125	418522.25	352239.2813	541181.0625	208965.0625	393832.2188	428653	415122.25	368760.5313	506332.4063	573397.875	413683.625
CTAB	105270.6172	109857.4453	93994.26563	113764.6094	93256.14844	88721.60938	99583.10938	105449.4688	105621.3047	76415.20313	118096.1484	125087.75	84419.99219	108455.9453	143229.7969	109945.7266	98629.78906	134151	102674.7813	107740.4453	110711.4219	104597.5625	95916.38281	111251.0625	104577.9844	106921.8906	97247.57813	112991.0547	86586.89063	98087.25781	93677.03906	117275.7266	94858.42969	94603.75	119774.4844	97051.375
PC(36:2)	35297600	32464608	32593780	33037238	35117160	31474698	34042664	32566916	34218844	27259784	31323452	31685346	31270338	32264342	33220436	33973120	30146460	31881660	30319336	31287894	34296944	32326234	31481346	32873668	31666682	33953896	32605818	32587554	25934296	35068644	31093228	33851332	31344850	31982682	32697362	26148060
Stachydrine	577175.3125	608417.1875	549363.5	595296.625	545328.5625	597737.625	569174.4375	672783.8125	637176.3125	621287.5625	681207.0625	624538.8125	593616.25	628454	607889	717034.625	535303.0625	608677.75	619052.4375	572245.125	653197.5	644958.1875	551274.375	570605.1875	569828.25	638758.375	617673.25	593004	453321.5313	527407.625	585529.8125	551367.5	521088	549440.9375	668003.125	565133.75
ancymidol	427972.9063	421229	382906.1563	367676.5938	383438.8125	362821.4375	401857.5938	354277.5938	409555.5938	315413.4063	365313.4375	337946.1563	327728.7188	380743.4688	380498.9688	406978.9688	361182.25	380859.0625	351819.125	341275.875	344355.125	432204.7813	337046.1875	335895.5938	315136.75	436201.7813	339914.1563	360039.0625	501908.1563	312052.6563	345205.4688	317604.4063	372024.875	389172.5313	484432	248382.4063
Phosphophosphinate	83525.67188	111871.6563	127819.8359	90375.8125	95912.07813	152921.7188	113119.9766	101078.6875	104535.0469	106663.0391	135019.9844	138230.6406	95089.88281	137704.7344	120152.0625	119742.3594	76660.99219	120442.1094	115339.8125	89472.35938	97933.64844	111230.4609	113294.1719	116876.3359	91324.38281	145003.8906	112414.7813	91457.48438	96147.4375	100899.9766	113347.25	102674.0547	87673.17188	125873.9922	149728.2344	77217.45313
PE(P-38:6)	2133654.5	2179096.75	1741826.875	1897097.625	1922550.125	1493659.75	1744823.25	1762341.25	1762598.875	1985547.5	1702285.125	1789371.125	1768122.75	1669189.875	1803203.875	1857717.375	1484325.25	2013890.5	1585531	1775173.375	1665554.875	1941588.875	1743522.375	1684549.5	1746273.125	1976812.75	1680121.25	1666025.375	1304559.5	1714648.875	1808854.75	1763472.75	1814384.75	1722544.375	1885186.375	1624483.375
PE(P-38:5)	4182344.5	4678711	4164783.5	4122003.75	3421126.75	3772354	3766374.75	192381.0313	3701318.25	4588404	4289894.5	4026038.75	3833759.75	3969338.75	4251685	4459565	3745788.75	4360220	4427280.5	4197658	4377391	4129624	4098725.5	3773381.25	3785318	4490712	4245983	3946073.25	3277746.25	3665682	4389913.5	4610015.5	4114115.75	4045154	4181463.75	3753390.75
PE(34:4)	166630.7656	163819.6719	164638.1719	141790.5938	180192.6719	139606.4844	150345.4844	175437.1875	151243.3438	110522.5078	183259.7969	131108.9688	124341.2578	130990.6484	149798.3438	200165.6406	203036.2031	151135.7656	141533.6719	138487.2344	122879.3359	157453.2344	144525.5938	168591.8281	161334.8125	161270.5	146466.1875	127695.9453	135659.6563	169122.4688	149089.0156	180578.7344	141773.0625	168956.4219	179535.0469	109706.3906
sn-glycero-3-Phosphoethanolamine	306225.1563	320286.25	304398.6563	329735.0938	332886.0625	292882.1875	293621.25	326280.125	343461.7813	280993.2188	338956	309057.5625	222665.4375	259944.0938	327098.4063	379102	315774.5313	352115.8438	313378.7813	288734.9688	310452.7813	292983.7188	264385.0313	279200.6563	283535.125	261540.7813	309367.75	299758.7813	237804.9219	276713.5938	309720.6875	334935.7813	343363.7813	327856.7188	326346.25	274375.6875
PE(P-40:5)	3225713	3420923	3125199	2842136.5	2800189.25	2667372.5	2783028.75	2676787.25	3073316.75	3344753.75	3139550.25	2743878.75	2868126.25	2619681.5	3131373.75	3183615	2736532.25	3630288	2820275.25	3000917.5	3044382.25	2882660	2665769.25	2951002	2633337	3189623	3006888	2786691.75	1870553.375	2849805	2760170.75	2914592.25	3017995	2675374.5	3047803	2541887.5
PS(40:8)	120729.7031	173807.5938	135547.625	195004.5625	126515.0625	127816.1406	171954.1406	138738.1094	168706.0625	140291.7188	153396.6875	162776.0938	142715.2969	164237.6719	147672.2969	182736.3281	143168.875	148689.125	157935.125	175329.3438	169920.4375	165135.375	149688.5781	138889.6406	150136.6094	160432.9531	160483.1875	157453.9844	121131.2734	172329.4688	149728.2031	162909.6406	151173.25	139149.5625	145562.8281	104689.9922
Ethanolamine phosphate	151780.2969	180757.7188	187380.7969	188900.375	177516.8594	161132.3594	160121.1563	167192.625	206941.9375	127114.0938	222503.9844	167821.6094	246441.8125	290092.7813	341219.3438	342889.0313	181906.8281	156265.0469	196278.5625	172748.2031	304143.9063	306245.5625	243702.0781	283104.7188	300387.9063	291788.8438	266544.5938	289973.5938	229819.4844	262473.1875	257346.75	295054.5938	179480	145380.7344	189922.7188	147954.3281
PC(30:0)	2715670	2414820.5	2239965.5	2442632	2804312.75	2502120.75	2681504	2575877	2633637	2318395	2445398	2622522	2594114.5	3102634.75	2870170.25	2715431	2415290.25	2671125	2889891	2654078	2680203.5	2491441	2758228.25	2546760.5	2631840.25	2796975	2633430	2553190.75	2103861	2568442.75	2873020.75	2950672.75	2377863.5	2791934.75	2897927	2184176.75
(R)-2-Hydroxyglutarate	10084295	11421776	10026057	9807834	9769458	8911788	9202590	8620652	9595850	8956731	10152698	9953259	7753383	8929735	9807050	11469873	8846269	9131615	9382865	9168196	9953741	9005027	9693138	10023596	9611902	10193522	9698585	9717432	7140369.5	9102709	9010697	9534687	9562626	10036561	9898328	8654215
PE(32:0)	1590218	1462786	1286368	1384219	1234469	1208196	1289274	1228933	1247151	985071	1220956	1210487	1131966	1254751	1352766	1567447	1231567	1283149	1280145.25	1157711.875	1107247	1183803.875	1114522.25	1306277.875	1164637.625	1202055.75	1209380.5	1208083.125	803275.25	1225963.25	1284710.625	1347913.375	1231797.125	1265482.5	1306910.5	815001.3125
PE(36:0)	1900690	1698402	1368243	1404833	1657444	1697970	1505232	1591849	1596126	1350842	1504306	1511249	1329827	1855455	1656059	769828	1651168	1623840	1768267.125	1570750	1491787.375	1504565.25	1415105	1677249.75	1492336.625	1546620	1581242.625	1586263.5	1325483.75	1487142.625	1649942.375	1834965	1258898.5	1372765.375	1750438.25	1354445.375
PC(38:4)	12012037	12025251	11665938	11965308	12359555	11893658	12084950	10786121	11371340	9645501	11192296	10076420	11589564	12186089	11907968	11621538	11427972	11376408	10670243	11458141	12129802	11808507	11237406	11492060	12674536	11378263	11894607	11641822	9393889	11742597	10889410	12587903	11485110	10804490	12376413	9869999
PE(34:3)	780266	762699	764431	733611	690638	704749	745025	636657	742354	617520	792058	681627	798377	779013	787218	833044	639080	735670	635584.125	637110.8125	636952.9375	690074.5	716179.0625	751598.75	661245.125	786793.625	741866.8125	663360.875	557827.3125	731873.8125	843472.75	729491.1875	698320.75	702175.25	713285.375	506190.5
8-Amino-7-oxononanoate	1757923	2155116	1744510	2070374	2190720	2150089	1990747	1983576	2058535	1741665	2059194	2002560	1800986	1981497	2032314	2045527	1908002	1907251	1959283.375	1880428.625	1924342.625	2149911	1879652.375	1761713.875	1962923.875	1900662.5	2040841.25	1979507	1370788.25	1728263.875	1804782.25	1819352.25	2062755.75	1754320.875	1981765.125	1800153.125
Hydroxybutyrylcarnitine	383443	357552	368207	361503	396476	359885	339406	438198	437049	326033	405675	379086	316717	358312	436682	424229	379794	354694	416790	471309.2188	468227.4375	397960.625	340601.875	365640.6875	489812.5	380556.0938	372840.3125	365554.5	318565.1875	349694.25	415903.3438	345305.2188	461670.5313	401917.4375	429768.6875	341049.5938
Ala-Ala-Ala-Ser	418835	467586	391340	450720	502980	469968	461908	431113	508650	356871	417586	421998	367800	432184	479397	530229	409164	444662	437303.5	382437.8125	479940.6875	464815.4375	415742.2813	445055.0625	431139.4063	544439.8125	425729.125	446382.5625	314850.0938	450780.3438	413407.5313	456626.875	443167	406601.0313	450381.5313	334794.5
NG,NG-Dimethyl-L-arginine	58574	65725	52047	66751	72067	73669	65533	75989	78013	59313	75089	72707	78701	87560	97967	107302	648554	717554	825861.4375	725355.9375	95811.75781	72613.96094	60569.89453	76642.875	83702.32813	75446.85156	79743.21875	74332.3125	62859.00781	67221.49219	77058.58594	76222.625	67002.39844	82716.45313	69688.27344	91422.40625
1,6-diaminohexane	80933	70475	65237	92344	97331	132717	96078	113463	78135	82069	100740	94706	95111	74463	68106	80424	88345	102574	97789.51563	64551.08594	76768.33594	73412.45313	79040.48438	84722.5625	75657.89844	72225.10938	90036.10156	83844.38281	81004.11719	89897.64063	112495.2109	96716.40625	72827.78125	98397.34375	61535.54688	87985.80469
L-beta-aspartyl-L-alanine	132951	157903	142131	167654	169351	160343	159639	138627	161398	107400	162980	137838	123915	155392	166517	160894	160460	164864	153160.0781	133907.8594	149378.4375	155561.6094	131899.125	135472.1719	161228.7344	135235.1406	143321.7031	147621.8438	102628.0859	143377.5625	179907.5938	156008.3594	165632.5781	128926.25	165066.7344	99899.625
N6-Acetyl-L-lysine	491696	593577	456958	513771	569662	557523	513228	491725	548996	403135	606436	471722	472782	522706	550729	540975	484850	515822	590192.8125	470973.6563	526563.875	529636.625	459197	493999.0625	502903.6563	588978.0625	528281.5	447192.4375	327259.2188	470491.75	512036.0313	495912.8125	468815.5938	476589.625	540593	396661.5625
Elaidiccarnitine	3331785	3580432	3709663	4099606	3311305	3684827	3720045	4293125	3520214	3018726	3904573	3800674	2179616	3630744	3721973	3791877	3120933	3016968	3050735.25	3317879.25	3468936.5	3314811.25	3071850.5	3135816.75	2829778.5	3370246.5	3730693.75	3436270.75	2540806	2748764.5	3394853.25	3405260.25	3704750.25	3158830.5	4123983.5	3335559.5
Lys-Met-Phe	89364	109931	104045	113204	81291	96992	93631	77297	96692	97463	105887	88960	85379	92639	95262	109968	80128	100203	105821.2188	120277.9922	110581.8984	96209.53906	91532.69531	101419.4844	101767.7891	104078.2578	106044.9063	99414.94531	63977.71875	95068.96094	104196.0781	97273.64063	94874.44531	113732.5156	80753.1875	89472.85938
PS(38:5)	4110663	3827046	3647385	3676255	3716834	3543532	3754804	3640631	3955389	3002579	3656435	3825930	2803279	3620380	3932225	4298579	3551189	3448665	3516014.75	3422966	3347521.75	3586611.25	3275299	3595143.75	3389462.5	3588271.25	3653759	3572540	3266252	3612332.75	3835374.75	4164397.75	3316259.5	3848429.5	3639809.25	3001467.25
PE(32:1)	1249573	1192872	1024252	1124632	1186010	1086617	1084902	991445	1089687	830155	1027101	1078253	900093	1053238	1287467	1294741	1088119	1126326	955439.125	1010126.625	953499.3125	1035466.125	1034098.188	1119445.625	948821.5	1102263.625	1109364.625	1106487.25	687053.5	1074362.5	1090920.875	1070873.125	971894.5	1119637.75	1098832.25	759876.3125
L-isoleucyl-L-proline	1186304	1151023	1000027	1067088	1066692	1145174	1183993	1190856	1182335	1091180	1108693	1066382	892528	1039171	1273438	1108167	1020251	1071392	1058101.375	1047088.688	1153845.25	1105906.75	1022504.625	1127104.25	1077147.875	1301585.25	1139832.5	1024461	818854.625	1142102.875	1095998.875	1124297.875	1131997.5	1067807.625	1138661.25	870290.25
CMP-N-trimethyl-2-aminoethylphosphonate	2576539	2885120	2437566	2903887	2449751	2344775	2552985	2471239	2330498	2141303	2517486	2719487	1986462	2465779	2719085	3004941	2409256	2474350	2483835.5	2470148.25	2369938.25	2519620.75	2691645.25	2685244	2426673.25	2758504.75	2702324.25	2690225.25	2052263.125	2519441.25	2399124.5	2509399	2568447.5	2651343	2467173.5	2246155.25
PC(40:6)	3965206	4072420	4133492	4079401	4353090	3755029	4004586	3733888	4340363	3113840	3785923	3592842	3505935	3804020	4277808	4108430	3652131	4203855	3791715.25	3787241.75	3873149.25	4316410.5	3627079	4063838.75	3946132.25	3753672.25	4426095	4259885.5	3167892.5	3816124.5	4248156.5	4252332.5	4071582	3520278.5	4228640	3088620
Cytidine	87473	104515	98614	111453	97239	112569	87338	109148	107869	119006	120246	148513	28573	29814	47241	50154	136719	133326	119506.6875	131779.7969	71356.39063	70246.92188	56918.30469	61171.82031	65838.39844	67650.47656	59329.40625	75175.80469	101877.6094	66264.875	67919.41406	68386.46875	122126.2031	108987.0938	146166.7031	109795.6797
Resazurin	65295	92168	93762	105654	76288	113648	93492	73351	65839	65192	97490	86094	68343	103533	73239	64711	63964	93562	91016.28125	83664.75781	65124.33594	88617.60156	80374.21875	78633.07813	63122.40234	103260.4219	85644.46094	70734.96875	45655.42578	71511.92969	86706.45313	89669.70313	68127.80469	104394.6094	130125.3516	54101.05469
D-Gluconic acid	12991048	14087843	13312163	12575273	12972779	12975163	13138433	14004367	14632165	11797808	14778219	13525485	10832093	13319617	14115974	13804584	12898528	13005991	12843554	12437909	13186077	13511418	12625353	13319249	12840863	13773808	13756462	13987126	9806797	12539738	13639636	13163483	12677923	12994179	14386504	10927443
PS(38:4)	25827218	23370726	21965692	21181572	21469822	20331922	22006492	20771690	20734316	18077082	21068450	21735252	17488898	20694106	23074128	24605196	20518970	21090912	21423902	19491024	19322214	21745710	19601412	21357246	20192792	21333902	22467172	20744686	18727852	22411796	23052204	22463208	19939108	22452632	20852634	17347150
Cholesterolsulfate	901067	894754	829475	884776	883437	801661	777500	805745	866056	726298	884424	801077	735410	871067	853579	927845	790505	864591	835808.125	876834.625	788753.875	799549.25	802740.1875	806048.3125	788005.75	878817.3125	857211.125	779736.125	601209.0625	771860.25	808956.625	802698.4375	821894.75	815305.0625	897356.375	613749.9375
Cholesta-5,7-dien-3beta-ol	172802	214540	198875	246725	181157	210621	210340	216763	197252	167043	231993	203625	179181	208388	226137	208592	171002	169082	232680.2813	202664.9531	204829.8281	176934.1094	199021.5469	225069.7344	217641.3125	195947.2344	193473.2188	230102.3438	178996.5	161010.9688	180331.8125	178929.3906	193561.3438	200195.2188	219080.0469	263752.7813
[ST] (5Z,7E)-9,10-seco-5,7,10(19)-cholestatriene	325850	293312	322167	290139	1184512	299309	284500	278717	1443425	1273412	282158	316798	803522	310151	252758	472463	893486	263957	257513.1875	262766.5625	353936.9063	585467.3125	280974.9375	266886.3125	572963.25	267771.125	358964.8438	345395.375	284288.9063	312806.0625	351795	290150.8438	1193919.25	335794.9375	276443.75	372218.7813
3-(4-Hydroxyphenyl)lactate	101979	107212	103467	113880	116127	125675	116649	119979	116895	67688	117160	110159	72858	105904	97755	107443	93349	87870	89878.60938	92365.14844	92700.4375	105984.1953	94646.85156	90206.14063	100716.5859	111385.2266	89101.65625	98101.27344	91055.36719	95529.53125	99518.64844	95738.51563	113900.5234	105658.3359	138273.8906	95868.25
PS(34:0)	1557184	1151624	1010267	1037050	1063529	1159971	1117371	1173437	1041281	961319	1144801	1184644	955116	1288264	1287444	1429261	1235250	1310564	1338673.375	1151029.125	1091384.25	1247481.625	1163177.625	1155944.125	1297323.125	1226656.5	1239235.375	1112529.625	799009.9375	1204358.625	1477108.125	1337870.125	985088.875	1078496.5	1100778	810293.4375
SM(d36:2)	2924031	3112978	3408077	3467887	3080831	2882582	3187400	2960822	3035454	2491449	2708324	2849661	2259881	2518651	2991545	3448810	2902217	2818524	2781976	2993100.75	3065148.75	3392646.25	2504058.25	3176434	3553767.75	2977092.75	3299508.5	2875398.5	2541782.5	2952415.75	3344931.25	3175878	2981414.5	2887643.75	3687026.25	3096395
LysoPE(20:4)	332505	290127	349144	326926	343395	463472	453706	455163	385587	402898	461340	433481	221101	236268	434495	396485	225193	207085	391380.8438	344936.625	331802.5	344485.4375	386740.4375	346201.7188	257766.5156	444134.375	394586.3438	379184.9063	312705.2188	327539.9375	331858.125	340783.7188	333678.0625	461258.4063	341258.5	492917.75
Vicine	118738	122813	111955	130358	137448	118422	142129	132626	149620	119616	125248	116216	98909	91278	132639	127878	99987	117363	86728.17188	128875.9375	119852.6094	116634.8359	101217.5234	144952.8281	135181.5469	124913.6641	117959.6094	127846.8281	88014.625	119826.5234	112655.4609	147640.75	141200.9688	113962.75	127422.1953	97900.125
thiomethyl glutamate	101708	120520	117906	112675	110461	110345	122582	100821	114382	119024	125594	134765	89605	119042	130809	132784	111728	107068	111304.8047	106900.5469	122634.6797	103528.1094	123032.8359	107845.3281	117367.1797	148382.25	111549.6172	102791.3672	119669.4844	101512.0781	120908.6563	110494.8906	121123.1406	139502.8125	112964.4844	111726.9375
(S)-Malate	6078925	6186434	5721119	5970013	6237205	5761163	6726863	5981874	5512715	4789863	6362506	5692576	4375725	5548765	6326564	6334984	4526404	4499927	4836935	4559396	4879529.5	4847825	4414780	4929227.5	4545849	5343045	5156748	4989336	3259958.5	4781930.5	4483829.5	5297174	5328126	5720570.5	5766955	4797066
Taurine	3301634	3900999	3429478	4026182	2698060	2954866	2772263	2542394	3079365	3699044	3446222	4037992	1863012	2951921	3350163	3654349	2813224	2415544	2487863	2522661.75	3656852.75	2530145.75	3639009.25	3524656.25	3352502.75	3833831.25	3286498.25	3562964.25	2610682	2470076.25	2938061.25	2364636.5	3022005.75	4241415	3244592.25	3648333.25
D-Arabinonate	715747	824786	750982	842712	784172	750146	814724	777273	810754	692263	816009	818588	634281	918031	885880	919433	765829	761430	780936.8125	790516.3125	828585.3125	791959.6875	758034.5	799886.4375	812013.625	838743.0625	853867.9375	837333.0625	196685.4375	731256.6875	767295.3125	795757.375	728074	865556.5625	864494.4375	684258.875
Ala-Leu-Gly-Arg	166769	112490	104223	90843	125115	65901	79544	78736	139839	131964	98621	107447	81905	80569	103215	100438	102842	82925	100221.7969	79008.76563	209120.2031	90278.75	73066.14063	83829.46094	209652.2031	89883.07813	80654.00781	99773.14063	118114.2969	71391.57031	65867.74219	86810.625	155809.5625	99760.125	77825.39063	100627.8906
Lys-Thr-Thr	196834	223120	239197	208048	186357	180933	195231	200426	237709	202006	243845	197433	179429	181472	194191	215662	208632	208808	193354.6563	194602.4375	191320.75	235287.1563	201791.5781	196558.2031	208687.7656	228461.6719	211893.5938	219177	151786.8594	215183.2969	238105.0625	214610.3125	209301.9063	172008.0469	204746.3906	153510.9688
L-Carnitine	14648897	19328542	15734407	15349234	15595497	19682980	14980896	16297264	16967970	12538941	18496332	16713409	13237211	17786438	17849264	19315796	17377506	16471712	16275838	20767172	18649506	17847864	16819812	15383137	17941642	16826666	19896324	17653568	11319484	15069045	18137488	15990994	15144931	18355466	20676694	15542117
Otonecine	112204	114721	114298	132034	140469	124972	123596	116740	120379	112344	125801	118882	99740	130189	126891	129439	122270	121250	124566.125	116870.6719	117808.0781	112398.0234	113238	126638	125748.4297	108912.2734	122042.3203	138253.3281	91557.38281	109413.0859	115498.125	128003.6016	115638.1016	109678.7969	141587.625	114082.2578
Thr-Trp-Cys	225535	214013	186863	203468	151656	155604	167143	169216	199211	141379	136409	164925	139361	151115	206886	223130	183859	197234	173189.8125	167778.2344	190141.8438	187879.75	144379.1406	198889.4688	168770.3438	182612.625	193861.125	214470.5156	199424.7031	158810.5	232164.2969	204131.125	149999.5469	159401.2969	184632.0781	110779.6641
PI(38:4)	1609823	1855494	1394631	1598345	1381518	1253275	1582959	1474477	1375515	1211127	1401812	1662350	1179148	1435228	1425993	1671518	1229987	1291111	1545754.25	1438639.375	1250839.5	1442054.5	1466871.5	1285937.75	1371305.5	1544704.75	1383918.625	1436332.25	1407855.5	1468109.75	1340330.625	1414594	1454710.75	1426163.375	1559314.625	1083022
3-Amino-2-piperidone	72739	101316	97559	84117	105856	131890	129177	116078	90551	87487	115933	120424	83110	88501	77594	122683	81404	93653	103624.125	101130.4141	78527.53125	87142.8125	68106.85938	120508.8438	73906.14844	122598.0391	103759.9688	73113.67188	56403.23047	76103.91406	98202.95313	148448.9375	86708.78906	65633.42969	118118.1172	118328.2266
PS(42:10)	517709	432922	497963	435555	399142	363619	404885	476215	398879	337286	415893	434577	353583	408013	508600	485972	373134	425935	422469.9375	393672.6875	392375.2813	424287.4063	376373.375	391134.6875	382800.9063	415214.5	436204.4375	437117.8438	335336.4063	411671.8125	413532.7813	475148.8125	419107.3125	398032.6875	466275.1563	406976.4063
PC(40:5)	2666847	2607323	2604677	2344758	2548420	2517034	2553973	2536443	1114712	2619328	2785324	2503078	2100955	2354296	2605326	2459470	2386387	2737605	2318895.75	2416488.25	2324619.25	2368535.25	2355016	2156507	2137006.75	2476579.25	2695001.75	2408675	1808555.375	2122877.5	2592372.25	2886897.75	2656216.25	2279367.75	2599277.25	2136292.5
Ile-Lys-Pro	2556747	2576995	2310912	2580145	2409813	2509502	2350983	2398645	2533723	1975962	2560773	2163392	1769345	2269499	2794759	2818728	2281532	2615543	2485826.25	2434617	2282192.5	2460461.25	2075547.875	2554863.25	2187222.75	2457599.75	2545283.25	2710040.75	1893153.625	2217932.5	2371363.25	2726859.25	2538981.75	2386549	2664142	2088396
[FA oxo,amino(6:0)] 3-oxo-5S-amino-hexanoic acid	811510	845384	784230	855141	728105	966293	870983	933945	867067	726506	907014	869823	686505	949306	822113	849505	693036	784217	815188.125	782257.3125	852138.6875	949388.1875	804329.375	827998.625	813109.375	970655.4375	1012051.5	836436.4375	593777.375	790513.6875	751437.1875	844839	871579.9375	758440.4375	862734.8125	781228.8125
Ala-Leu-Thr-Ala	2215574	2035963	2059381	2302608	1842668	1835858	1828174	2104301	2119082	1891644	2054167	2173791	1390321	1799915	2110441	2653337	2033338	2071191	1845696.75	1970751	1976026.875	2051613.25	1827648.25	2291401.75	1982938.25	2379689.25	2131541	2126670.25	1548863	1918329.625	2119548.5	2194311.5	1995817.75	2119094.25	2108344.75	1708220.875
N6,N6,N6-Trimethyl-L-lysine	4526896	4846404	4632304	4371394	4678796	4563873	4898609	4698533	4451053	4426751	5172902	4591741	3575271	4825782	4741973	5550657	4778061	4731122	5882699.5	4761801	5039137	5464732.5	4082295.5	4960481	4400048.5	5229229.5	5644462.5	5459555.5	3871101.5	4335797	4680590.5	5433922	4196221.5	5095149	4704995.5	4101279.25
PI(40:6)	128215	141632	86197	107167	87915	94943	112908	101763	93827	71160	99250	145745	87737	128842	146159	110610	98372	86290	99614.96094	102647.0859	87594.83594	114347.1094	106580.8047	98755.69531	90266.875	120031.5156	118662.9844	103170.7031	73525.96875	100319.1406	86425.60938	107864.8516	118660.3984	94844.35938	98282.64063	76736.23438
PE(38:6)	3798850	4090563	3799518	3654312	3407579	3194485	3565977	3400113	3487117	4055929	3409125	3653392	3154567	3420922	3841011	3853052	3023139	3656514	3440639.75	3289178.25	3347154.75	3411536	3590018	3110391.25	3310885.75	3729985.75	3658153	3641543.75	3101565	3424272.25	3997273	3821063.25	3667466.75	3383000	3568654.25	3266261.5
N-(L-Arginino)succinate	566763	585435	525633	677793	560347	518922	539954	613583	581140	512397	622893	595155	464134	534380	636709	653200	502336	530419	503989.3438	524156.1563	474044.9688	499766.7813	426464.4063	539367.4375	474801.6563	550142.4375	531995	512608.4688	369234.6875	481516.6563	519693.4375	557982.125	568823.875	546326	591611.375	436550.25
PE(38:1)	3484091	1826451	3180818	1562758	3190224	3095277	3433051	3058750	3017688	2759314	3424111	2898795	3302905	3361103	3760926	3717718	2637908	3128124	3229045	3221582.5	2979328	3096013	2858583.25	3507799.25	3145326.5	3282552.25	3380388.5	3471767	2546077.25	3406017.25	3127608.75	3548420	3253358	2941316.75	3231828.5	2813776.5
Apiole	322483	309429	336066	345385	349480	313389	295952	319072	302028	306246	309585	375796	344982	309830	293828	293250	312836	318939	299751	280544.6563	293634.125	342928.1875	334241.5313	312364.7188	297438.4063	350284.9063	314541.375	407622.9688	375633.125	382802.9688	363753.0938	400903.625	288272.5313	291351.875	299696.3438	337790.875
Orotidine	799732	842795	745674	885472	787838	745186	782588	792973	864440	704709	916054	814647	620465	706740	861206	847775	811908	756422	743849.875	757195.125	802072.25	811721.75	704762.375	746952.625	763986.6875	856002.875	828875	823974.375	541660.1875	706810.875	800651.8125	812739.75	808959.4375	777475.75	862610.5	617136
PC(36:1)	20879592	21253144	20788362	20650976	21826490	20722164	22466480	19790390	21368646	17090474	19519594	19930698	18723386	21278692	22423642	21670242	19964662	19736556	20913838	20741778	21254350	20402726	19433688	20269528	21362452	21234710	21765314	22725480	15665756	23338366	18766692	21239980	20301942	18299108	20505410	17099176
N2-(D-1-Carboxyethyl)-L-lysine	107637	124584	126472	142742	106954	134677	127712	137021	116353	120825	141869	130894	91942	107939	124339	137783	106441	109039	109869.25	121129.1641	121917.3281	106503.0938	117405.7578	126961.3438	113966.4531	119364.7734	129824.3359	143190.5156	100597.0156	108518.2031	121467.2422	126833.5625	112861.875	121464.1719	130651.3984	142373.5
5,6-Dihydrothymine	1543787	1794757	1799201	1792128	1771104	1877819	1957719	1822072	1936994	1478111	2043407	1917203	1224559	1781181	1837063	1595757	1440480	1769357	1649965.5	1726492.375	1778842.75	1664735.375	1585887.125	1808561.875	1613189.875	1901353.75	2042291.25	1768603.5	1366524.5	1678862.25	1660642.75	1734784.25	1817988.125	1849887.875	1906696.625	1711955.625
NAD+	12207859	12005392	11650039	12712509	11480148	11320580	11643452	11298978	12115838	10520543	12878731	12067764	11449234	11758084	13567756	14153248	12726986	12216355	12501057	12216132	12239610	12610289	11509359	13355736	12694583	13071997	13422692	14108735	10935906	11580132	12758244	13290351	12437973	11648994	12277249	10532107
(R,R)-Tartaric acid	389183.25	412634.25	413796.8438	357883.0313	403529.3438	385171.5	377077.25	367124.8125	381079.0313	393080.6563	425488.5313	428320.6875	363120.9375	365598.0625	469809.0313	411122.0625	352368.8438	373373.0313	421045.9063	392531.6563	408407.25	360770.0938	410651.5313	413664.75	427317.8125	451350.5313	397018.4063	434662.0938	367214.875	333243.625	433951.875	407998.125	421116.875	417659.2188	403980.9688	437020.25
PS(38:6)	824793.1875	769077.75	677494.5	680050.625	676386.125	654096.5625	685719.8125	709295.5	701832	573122.0625	690571.75	702428.875	561585.625	792697.875	698342.3125	752257.1875	719776.5625	718247.6875	710486.8125	664484.375	596976.8125	703010.5	573781.75	588322.0625	630925.0625	721985.8125	620475.125	674388.875	603720.875	725272.125	656309.875	672882.1875	678084.0625	722136.625	699988	528821.0625
Lys-Thr-Ser	281076.5	286342.25	256761.9219	276389.4688	272678.8438	251623.3281	235500.9531	240771.75	334518.1875	205168.0156	261367.1875	237809.6875	209622.875	257564.1094	264958.2813	310511.9063	227753.8281	267854.1563	252783.2969	274291.7813	305260.3438	310015.375	203304.1094	224084.3594	266477.0938	284727.4063	272970.5625	297678.9375	234848.7813	222608.2344	257764.1094	263461.5938	249073.9219	217928.4688	251604.1719	164536.9688
Gln-Leu-Lys-Tyr	574410.1875	556710.625	564076.5	567954.3125	550372.3125	528242.375	547428.1875	522459.0625	543424.6875	509707.2188	551250	556230.1875	539095.625	514925.4375	570159.1875	509280.5313	515641.25	543210.0625	527188.8125	574688.375	538902	435928.3125	494251.6563	576246.75	528400.3125	561267.625	554781.75	560308.1875	478410.375	507339.8125	557980	519442.8438	512445.5	492508.375	549228.4375	558608.5625
PC(36:4)	22634730	23211508	22180036	22261390	22388462	22157822	22989186	21958012	24393538	19160878	21758540	21813280	20769236	23309618	22796840	21946830	20998676	20918666	20403592	21895674	21947290	22107572	22216254	21798172	22354892	23441300	23633644	25523026	18361794	22749596	21222478	22652424	22586522	21757698	21660608	18775720
PS(40:5)	10427668	9213391	8564298	8634882	8303945.5	8039453.5	8562047	8201867.5	8244190	7069105.5	8535938	8562814	7001805.5	8153341.5	9213725	9840827	8221534.5	8509698	8795500	7613395.5	7634257.5	8587305	7709452.5	7727188	8233692.5	9069675	8691563	8160358	6968735.5	9130005	8762011	8682163	7836102	8865128	8293574.5	6275224.5
Phthalate	987390.9375	1100675	977728.4375	1033696.688	923957.9375	1099807.25	988991.4375	1104261.25	959393.9375	965234.375	1013756.063	1057482.125	901366	991241.25	916873.1875	1053834.25	928054.9375	972759.75	938709.6875	941436.625	897781.375	882678.9375	941328.4375	983392.6875	960534.1875	1032640.5	1034530.813	975312.375	964938.75	968634.875	969355.0625	1049159.875	957773.4375	916575.5625	902888.5625	1009162
PS(34:2)	144835.125	149324.8281	150594.7031	127823.6172	129397.9766	145322.2344	161671.1875	130316.5703	175580.875	144953.5938	186528.7969	162118.625	111531.9922	136206.7188	164443.9063	202798	127392.0625	131884.6719	175432.5625	170835.0313	131841.9688	147692.1875	140486.6719	158631.375	120994.3828	173804.875	169019.5938	162528.5156	120592.7031	137705.7188	144193.1094	154468	175914.5938	161041.0469	183898.2344	124651.7188
D-Glucosamine	202759.5469	199893.5	182733.4688	222409.2031	217508.0469	182045.5469	204343.2031	184764.1563	197947.1563	170183.7969	261229.9375	231676.625	148364.25	157105.4844	159252.7344	191109.25	189225.4063	196086.7031	209378.0781	194249.1406	204243.1719	189289.8906	158967.1563	222591.6094	194100.2969	204772.3906	224028	217697.8594	173203.4063	169249.7813	202671.7188	215606.5	234324.1406	193731.8281	181731.2969	182974.3438
N-(eicosanoyl)-sphinganine-1-phospho-(1'-myo-inositol)	130858.3438	118838.8984	138580.875	138656.5156	147097.7656	151408.9844	141072.3438	136983.5	159250.6406	129949.6563	176050.8281	136386.5313	102701.0938	125467.3594	167420.9688	159475.4063	119009.4063	135387.125	120196.6484	139969.2031	146745.6094	132645.25	126538.6953	146245.8594	153259.7656	157311.5	152780.5938	135646.6094	130887.9219	131669.0313	151998.7031	130800.8047	175016.125	131144.1406	158665.9375	147130.2656
L-Methionine S-oxide	148871.7031	247568.4219	156396.5156	185697	94490.36719	118875.1328	118860.8672	120381.7266	104908.4063	185414.6406	266655.4375	252191.125	172803.5625	135741.3594	179594.8906	210635.9063	133968.8125	113376.0859	114173.1641	133432.0469	165612.8281	107566.5625	166749.375	149902.3906	140450.1406	165456.5469	152993.4844	180986.3438	125624.9688	153925.875	139860.1406	112188.6172	94212.71094	197276.1563	109626	210984.2188
Sucrose	45340.88281	40371.91406	43374.78125	42531.33984	77603.08594	86668.35156	78370.64844	72087.51563	37411.53906	41371.96875	42368.08984	61243.36719	39105.84375	42252.02734	41320.53516	38080.35547	34896.47266	46214.17188	37259.94922	40451.5	39348.48438	36932.38281	40222.98047	34709.01172	41938.75391	39376.85938	42902.48047	40047.68359	40071.72266	56677.41406	50931.34375	57529.08984	36757.00781	42030.58594	36471.31641	44539.97266
D-Ribose 5-phosphate	989422	937068.5625	940876.3125	950240.625	1069226.875	786866.4375	901626.3125	899961.125	1135107.875	823663.3125	939279.9375	786356.75	978032.25	762858	895508	902843.5625	862234.625	887445.5	913475.125	880936.75	754847.8125	897354.9375	712548.8125	774611.5	880004.1875	838293.4375	886845.9375	830883.125	770980.3125	821279.375	1026431.25	1038170.563	1063710	803775.5625	1013295.313	615441.4375
PS(40:4)	3572791.5	3320267.25	3216291.5	2998925.75	3012521	2910273	2899648.75	3031485	2856022.25	2418095.25	2803007.75	3027467.75	2553360	3014092.25	3238299.75	3600684.25	2879172.75	3113519.5	3009977.75	2691273.5	2862471.75	2827425.25	2842835.75	2845151.5	3144812	3222571.5	3226588.25	2864216.5	2420131	3298706.25	2828264.25	3063053.5	2884059.25	3365929.75	2989650.5	2182624.75
PS(36:1)	5606667	4982932	4347271	4797692	4536569.5	4541708.5	4485636.5	4403423.5	4441294	3691117	4771756.5	5049315.5	3895386.75	4740172.5	5661698.5	5873218.5	4906536.5	5138632	5043437	4655331.5	4223479	4718583	4182123.25	4847581	4694153	5085424	5047801.5	4868529	4085523	5171373.5	5303946.5	5398197	4256067	4857440.5	4460014.5	4119346.75
PS(42:7)	146179.4219	214958.7188	134685.4844	151086.9844	173520.4531	142951.7344	158858.7031	146161.2969	131844.9688	155526.1563	155592.6875	166762.6875	146630.3906	140925.3438	139995.5	163033.75	184991.6406	168209.4844	154769.75	156666.7031	140160.2969	130407.4297	143417.9688	139703.75	142709.0469	146070.8281	152459.5938	166348.5	106993.25	125278.1016	147655.5469	132503.9531	131713.8438	177653.625	139986.6875	116798.3281
Asp-Leu-Lys-Asp	141948.9688	112848.2891	102922.4688	119983.0625	106466.5469	112656.7656	94905.28125	135365.0625	120022.4531	100299.1016	113764.9922	142553.9063	95358.99219	108935.5703	128987.6406	168126.875	98280.28906	121646	91016	80602.79688	103196.7266	104916.1016	93978.125	123771.3125	127573.2578	117563.3203	126528.2813	95704.47656	115647.7266	144583.8438	119370.0938	160517.3906	117589.0469	101454.3984	120605.9766	114748.5391
PI(36:4)	404208.1563	561904.75	433831.75	390663.25	383040.7813	354826.2188	394256.0313	377368.8125	387750.5313	360624.0938	404985.5625	416579.75	362966.5625	449398.6563	407900.3438	521331.0625	322483.8125	451023.4688	382520.7813	395856	351586.4688	395224.5313	368466.0625	425544.75	392326.875	449887.7813	404988.5625	444609.2813	391761.75	356793.6563	399516.7188	376039.2188	409990.2188	374335.5313	403825.875	308954.8125
PC(40:7)	978399.6875	974392.9375	1071955.125	1071439.25	890501.25	1082135.5	986744.25	756839.5	994221.375	844781.1875	1017799.688	954597.9375	884382.3125	1003218.688	1155149.375	758664.0625	997789.3125	917057.0625	849203.4375	853877.125	1085739.375	823789.1875	994162.0625	903903.0625	965298.3125	928551.25	1283828.75	1008501.125	901056.0625	965592.1875	920938.25	1052263.75	1134385.375	914882.4375	1018867	912510.0625
D-Glycerate	61811.85547	70635.53125	62961.80469	63669.90625	58336.80859	71414.78125	68273.10156	74014.71094	64641.17969	66615.51563	75556.20313	72620.36719	64260.91797	71635.00781	102367.8516	77618.64844	59360.55469	58662.95703	59403.74219	54995.79297	71315.32031	63262.92188	69532.36719	69549.55469	69449.46875	79424.22656	78383.55469	73768.46875	50112.97656	66618.80469	71868.10156	72425.64844	56628.42969	58142.42188	71596.78906	58286.91406
PS(34:1)	1066287.25	1084797.75	926572	907008.3125	1024531.688	981634.4375	960710.3125	971547.5	919923.3125	816734.25	1036523.25	1071775.75	853473.375	1061318.375	1101511.375	1202382.125	1122560.375	1122272.875	1094635.25	1039882.688	874147.1875	910756.5	861121.1875	992548.3125	931602.25	983003.4375	1043629.25	1045700.313	894073.1875	1219610.625	1051663.5	1087959.75	931555.875	1125296.75	911264.0625	885210.875
PS(36:4)	473738.6875	497322.4063	410476.0938	416804.6875	381942.5	385203.75	426170.6563	384255.875	392772.125	335878.5313	450658.5938	424387.6563	350778.7813	415809.5625	450112.75	432578.6875	435344.9063	390601.4063	436709.7813	374633.2813	379082.0625	390074.9375	357551.2813	349002.6875	405750.4063	418783.875	415097.6563	385193.5938	402517.5625	352438.9688	443952.0313	490215.1875	444555.7813	376257.125	427791.75	323602.3125
IMP	5860759.5	5718001	5707259	5186951.5	5446180.5	5093876.5	5317148	5029715	5775770	4544640.5	5597366	5333279	5703215.5	5821359	6476414.5	6666901	5780393.5	5972676	6264196.5	5518067.5	6079140	6038730	5303018.5	5194965	6270285.5	6264984.5	6299066	6206020.5	5889232	5547301	6509347	5750059	5538078.5	5001628	5226429.5	3709315.25
LysoPC(O-16:1)	1027989	942459.875	901743.5	991247.5	922449.375	856409.6875	886658.125	823060.0625	816831.875	828857.375	923278	1017557.125	652388.25	903726.625	926841	1077309.375	818400	785249.3125	830776.8125	784894.1875	897153.125	853778.375	834372.9375	965650.25	891432.5625	1073226.375	865141.3125	1108969.75	722758.5	740729.875	848982.5625	771245.375	882745.5625	1080661.25	902925	770932.1875
N(pi)-Methyl-L-histidine	326530.4688	304087.9688	298842.6875	320200.5	258943.2344	370462.4688	323769.1875	298658.3125	329589.9688	261706.5625	390544.75	334662.5625	261494.1094	344503.125	356239.6875	432833.3438	269485	320487.4063	318407.9688	345993.4063	342507.625	281173.0938	307026.4375	347255.8438	345992.9375	385453.8438	346102.5313	340195.0938	247553.8438	266520.4063	324212.7813	345035.4375	247061.8281	316705.2813	413869.0313	272770.7188
6,7-Dimethyl-8-(1-D-ribityl)lumazine	309833.0313	275143.375	284386.2188	283994.75	268990.3125	262347.375	320536.3125	289684.3125	310859.7813	267356.625	320482.5938	364704.6563	349182.0625	340630.4063	574265.6875	502389.5313	322219.4375	344056.4688	349550.1563	370924.4375	387017	376787.7188	318051.8438	372479.4688	396057	424710.0938	431446.375	362863.25	237964.2969	389365.9688	441841.6875	379718	316254.8438	282645.9688	344128.5938	286491.3438
PS(36:2)	3127778.5	3035983	2609113.75	2628984.75	2526169.75	2450462.25	2744462.75	2488329	2629314.25	2158399.75	2768236.25	2945687.5	2287726	2601195.75	3289704.75	3212541.25	2854023.5	2911474.5	2921611.5	2730844.75	2376253.25	2678969	2348957	2671958.75	2688565.25	2712129	2880371.75	2933475.25	2485773.5	2909951.25	2877106	2872657.75	2525721.25	3023710	2684976	2547789.75
PI(38:5)	357389.25	325060.9063	254635.3125	286955.9688	212718.1875	246678.5	316551.5	265258.9688	246673.6875	230677.7031	241765.1875	275070.5313	192737.7188	263109.3125	260839.9688	304080.9375	211575.2813	230217.9375	297761.5313	288930.25	238700.1875	262129.7031	254255.5781	221655.5938	272145.4688	261892.6094	288883.9063	265437.75	232958.3594	266014.0313	274987.9688	250979.0156	260535.2031	261052.2188	312550.8125	200771.0313
CMP-2-aminoethylphosphonate	831619.875	870855.25	777251.125	848222.5	854176.8125	742617.125	787462.25	740813	774056.1875	698472.875	772171.875	808715.0625	684157.5625	731626.8125	821232.375	886765.625	795803.9375	823365.75	763418.125	748894.875	747927.9375	774479.8125	683238.9375	790419.0625	760772.25	864928.0625	845930.125	867388.75	674189.125	721322.9375	823115.9375	828901.1875	781058.9375	749116.4375	834023.8125	626192.75
LysoPE(20:0)	841100.5625	1124252	879870.875	1109364.625	678978.8125	442173.0313	521178.25	619279.25	506773.2188	765720.625	581478.375	935874.9375	580013.4375	914578.625	1273254.125	1234960.75	727205.8125	687926.8125	608499.875	601372.125	980322.3125	569599.75	1150707.25	998246.3125	913284.75	1167799.625	1031923.063	1012795	508222.1875	589954.9375	597766.5	559846.875	557501.1875	1074086.875	564272.875	712784.9375
Nicotinamide D-ribonucleotide	614904.625	667504.9375	614088.875	663543.8125	606324.625	592594.25	637085.1875	641392.0625	681817.625	539588.6875	641870.0625	634321.875	486311.7813	523183.875	554584.3125	569060.8125	633079	608690	590896.6875	571075.25	588116.125	576911.5625	414865.0938	507055.25	571979.6875	645352.8125	555658.4375	555616.8125	550153.1875	553782.1875	547511.3125	590007.1875	630913.875	559128.9375	638094	420850.625
D-Mannonate	5445819.5	6802546.5	5551652	5725583	4739482.5	5629710.5	5378672	5198308	5714770.5	6328479.5	6531150	6215113.5	3293992	4685386.5	5853059	6481105.5	5628127	4870736.5	5132700	4787368.5	5084196	5174957.5	4970639.5	5195099	4422753.5	6246223	6560861.5	5560183.5	5138325	4861761.5	5344405.5	5382239	5230629	6153457.5	6025337	5066478
PC(32:1)	4991646.5	5650925	4968953	4846017	5204243.5	4756560.5	4786979.5	4683907	4987022.5	4521520.5	5055590	4759039.5	5410569.5	5725894	5918267.5	5773244.5	5617962	5774640	5743276.5	6087332.5	5558846	4835713.5	5135533.5	5077412	5604623	5658399	5994630.5	5777401.5	4742591.5	5709218	5921324	5909291	4662891.5	4696108.5	5247598.5	4452627.5
Aloesin	116626.8984	122767.1484	94815.75	132345.375	95246.47656	149387.3906	110366.4063	132274.25	105067.6484	92211.97656	150499.5156	177424.0625	77067.69531	94165.91406	135211.875	149638.125	57446.03125	73012.625	115354.8594	143777.8125	72683.64063	87147.63281	90408.36719	108059.9375	42407.83984	114335.6016	123363.5781	120939.8359	79075.63281	85939.34375	111964.4766	131645.3438	78810.77344	93090.59375	134913.25	93363.71094
N-(3-oxooctanoyl)-L-homoserine	214592.5625	255963.6563	187510.4844	244674.0313	233289.875	217572.2656	233823.6094	232502.625	252419.4531	211544	205222.1406	234130.3906	235760.8281	227647.8125	215725.8906	247868.0938	220251.9688	203435.8594	212797.3906	253368.9063	222312.4063	188606.2031	230903.6875	193575.5625	280356.8438	216037.5313	242000.625	197776.3594	227537.8125	212557.1719	236770.2969	243888.1406	260952.6406	243930.0781	218962.5313	218197.2656
LysoPE(18:1)	901475.4375	1019503.063	1045083.625	1000594.625	980637.0625	1003381.938	720651.75	880540.3125	946661.375	938407.25	943938.4375	1103331.25	655946	893259.875	1221615.375	1218801.125	794402.625	936896.0625	882204.6875	710438.5	937374.875	878367	873501.8125	1152623.125	1055624	860912.4375	1212001.375	1191943	742886.75	770327.75	922093.75	943275.375	918984.75	969763.3125	872341.4375	787253.0625
D-Glucose	10897135	12844908	12004484	12895423	10325170	11336293	12485668	12151487	12832002	11218593	13659716	11749096	9140422	10539666	12502645	12053868	10566394	11416628	11521742	12815332	11242362	12210541	10425831	11052260	11366466	13142389	13227810	12847660	7680313	10877037	12488507	13206664	11099091	12246406	11996905	9849483
PC(38:6)	12966822	12287462	12630488	11876743	12871314	11359279	12488460	11966186	12094528	10166197	11525406	11397494	11089418	12258579	11843944	11688080	11293461	11772615	10994970	10657486	11798732	11099841	11685350	11644977	12658750	12467554	12796570	14287023	10332573	13240959	11416581	12426657	12318056	12219575	12359314	9953712
[LysoPC(16:2)] 1-hexadecyl-sn-glycero-3-phosphocholine	664781	926514.875	861144.5625	762252.6875	886086.9375	721504.8125	723559.75	890354.8125	836541.5	663534.4375	789751.9375	759578	671699.625	820256.75	872479.4375	842516.0625	821114	906944.1875	929992.0625	828842.125	839274.5	873941.25	736888.5	770780.625	1002278.875	1062474.875	771631.125	801556.0625	703625.5	756861.4375	763617.875	1004518.75	967626.8125	830645.125	1013140.688	610703.75
Hippurate	456226.1875	369687.4375	306920.9063	357641.1563	251890.3125	356593.875	234407.4063	325721.375	336243.0938	441463.875	331692.2188	420436.625	339479.5938	455624.125	376734.4688	376681.25	312780.3125	317799.2188	328469.6563	418310.4063	416106.8438	358374.6563	275407.375	423234.2813	371998.1875	398519.1563	409474.0313	491989.9063	453449.3125	370876	384622.5938	328349.4063	340481.2188	450741.8438	330178.0938	314761.375
sn-glycero-3-Phosphocholine	9596614	10525798	8245443	8699275	8472952	8183248	8895429	8596514	9543720	8364835	9205313	11447904	5634807	8222841	7458744	9309816	8438329	9116257	8291659.5	7499657.5	6660046	6342649.5	7835346.5	7402510	7220555	8611042	8240938	8014684	6147658	7053033	8317443.5	8950165	8432479	8396111	10198924	7939434.5
Creatine	262686784	280204544	262923088	252284336	281471968	272825792	279725440	255335152	280854784	250914176	343754080	300550272	211046944	273973024	288949888	315432800	321337504	284596096	288143136	266942960	329954912	245243056	242085872	256486560	325968448	321466368	298159936	276902016	241951472	272356256	287389920	311815232	282855648	285956992	317729664	295869568
Adenine	460272.5313	435164.7188	436615.5625	592830.125	435567.8125	576366.75	552107.25	629080.875	539865.875	357111.9375	656351.5625	551842.5625	428697.1563	395653	534915.5625	508766.875	410459	457916.5	606596.4375	452523.5313	385230.7813	544423.125	454746.5625	474763.5938	540187.875	545999.875	497094.9375	535421	420630.8438	392925.1563	526224.6875	477605.0625	474204.9063	511000.3438	560096.4375	426616.4063
L-Homocitrulline	199643.5625	215810.0313	209404.3125	208644.7813	194284.8594	273069.0313	183971.1875	147088.2969	233940.3906	153967.4063	219572.4688	175058.3281	161796.9531	213622.4063	236822.6094	204687.5938	200244	213598.3438	189125.375	163984.0781	186861.5938	155224.0938	167923.3906	217304.1563	230375.1719	184779.7656	223611.9531	191041.9375	152901.2031	182366.2969	172385.0313	239598.3281	193365.7031	215522.3281	212198.7813	142868.6094
Asn-Glu-Ile-Pro	153198.7656	146638.1719	129226.8047	148212.3438	125199.5	103778.6172	105682.5547	125731.1953	151464.8906	117373.0703	192555.3594	148124.9688	88287.67188	106319.9063	122858.25	151789.8438	147347.9531	122891.5859	134120.3281	132058	107982.8516	153760.8906	106587.4844	132414.7344	154572.4688	107995.6719	146126.0469	162888.75	104812.875	171036.1406	139335.4375	196696.3125	170637.6719	115471.375	131214.875	126367.1016
Glutathione disulfide	8143354.5	9110660	10746239	12410140	13200809	16512846	15901809	15332429	14672421	15964260	18326290	18718646	6327011.5	7394670	10649986	12016173	8243371	8685930	10944188	12741391	9221360	8919026	11725209	13790990	10306197	12409719	13796148	13329600	13961962	8211527.5	11375218	12224653	12572948	15867646	14389918	21362952
Pro-Arg-His	126606.625	122348.2969	142675.7656	143557.4531	116023.3594	160556.3125	137567.5	137661.0781	138399.4531	124695.6328	129689.0547	188955.9844	105933.6406	116611.1406	129784.5234	147076.4688	100491.3047	129190.8672	129948.4766	151703.1406	111733.4766	120367.5469	146704.4688	132776.4531	128950.1641	145851.7813	155637.7969	153915.9844	146103.9844	127896.3438	145345.7813	170061.5781	141994.5156	140231.5	140476.6094	126944.4531
[SP] Sphinganine-1-phosphate	440843.5	500142.1563	395914.5	378900.375	397270	386212.125	392607.4688	371760.4375	389057.25	349664.5625	388749.375	400929.7188	296134.8125	330578.1875	374349.0625	398394.375	361216.9688	359625.2813	414241.625	349936.25	349953.7188	383319.8438	285738.0313	291685.8125	369753.2813	370850.1875	383530.7813	376683.25	327220.1563	384626.3125	440152.0938	360972.8438	445150.1563	365027.7813	379680	319904.1875
N-Hydroxy-L-tyrosine	583763.5	662668.375	720326.25	860208.75	782294.25	666568.0625	588639.6875	730048.1875	674976.6875	552414.75	701270.9375	687240.625	595321.875	500671.6563	650057.25	581399.9375	588521.0625	508897.75	447546.4688	553273	516722.625	505817.8125	479434.5625	584147	642217.3125	768434.125	629904.5625	349779.6875	811169.5	451322.3125	752878.1875	587047.5	639730	564159.9375	476451.4688	453126.7188
PA(38:6)	198059.6719	231175.8438	210066.3906	186427.3125	164943.6094	160719.75	227384.1094	192952.4063	181117.5938	151256.0156	195752.75	193473.1094	167265.0938	174495.7656	197854.1719	218489.6406	179235.3125	201695.8125	200118.2656	201047.0938	161165.5781	159959.1719	175129.6563	183959.4219	173869.8438	222556.8906	193698.5625	189756.9063	139717.9844	159220.875	176067.9375	199861	218419.3594	184774.1094	191402.6406	150642.375
Cys-Leu-Cys-Tyr	144856.3281	164885.0625	177328.4375	189308.2188	170338.2344	162637.0469	155731.9063	165763.6875	160699.0781	156731.6875	202650.4531	169486.3281	177587.5156	152184.2344	172878.9844	162628.3438	160976.1563	154980.1094	155134.4375	148608.2813	156085.5938	144377.5	165662.4531	166790.9375	156666.3438	172604.6094	215138.5781	182535.0469	164412.7031	173573.0469	184936.5313	148297.3125	144133.2031	145674.1719	186948.6563	188063.1875
Ala-Asp-Ser	169487.2344	161048.0781	170540.1875	153440.125	152168.5313	180387.1094	162604.2969	189238.9063	191220.1563	138762.9531	204650.5781	148969.0781	149004.1719	139483.875	172244.8125	182107.2188	152133.8125	200365.8906	179739.3906	166929.2813	149420.8438	150587.8906	141266.8438	183966.7813	175900.7344	183110.3906	193107.2344	166951.0781	102189.5313	163548.1875	171054.6875	178908.3281	179353.5625	155004.4219	210083.3438	122014.625
4-Pyridoxate	100852.5156	121531.0781	137023	203435.3438	122650.1016	122691.4922	162328.1875	165988.75	128621.6719	161739.6875	112736.6484	133820.1406	135465.9063	121546.4531	151451.0156	130497.3828	125421.2188	132024.0313	117440.1016	108156.8516	126714.75	177363.1875	111998.6328	35055.33203	117500.5859	160090.2969	130396.9531	111275.3047	96146.52344	118915.6953	149642.1406	135457.7344	132538.7813	125439.0938	127661.2969	94557.85938
FA (18:1)	241901.5938	229151.8594	267737.4375	352182.4063	237666.0781	276088.875	288493.4063	253915.1563	247187.2969	318366.7188	288004.7813	310702.5	259935.7031	211011.5	230306.4375	299458.3125	273818.5	238514.0625	267409	279048.375	227576.0469	308992.5313	266173.125	295091.5	264689.6875	264397.125	290624.2188	446532.4063	278384.875	354498.1563	360964.125	284866.1563	297394	225969.5	232336.625	274536.75
Ethyl 3-oxobutanoate	388522.7813	496964.0938	445926.0313	452628.4063	432161.2188	429484.5313	453775.5	379481.8125	411914.8438	450008.2188	394211.5625	403530.8438	381869.9688	414252.3125	456248.5	507543.9688	511907.2188	426093.7188	401838.9375	449886.7188	466739.875	453793.7813	417107.6875	463078.5	545037.1875	546839.5625	494406.8438	491889.7188	725850.3125	424696.875	524552.1875	554007.5625	385575.7188	429124.8438	433101.5	422536.8438
Choline	8711636	9542556	7604462	8946928	7331687	7288947.5	7718326.5	7018933	8117601	8604092	10414815	8889720	4747788	6291919.5	7510270	7342233.5	6269846.5	5825182	6232334.5	6391491	8237733	6788835.5	6662814.5	7549506.5	8573085	8616759	8369722.5	8338471.5	5423601.5	6355832.5	7236506.5	6425641.5	8224001.5	8664954	9278547	9828393
Asn-Pro	737163.4375	823504.8125	826968.5	787539.1875	742580.625	680045.4375	798276.4375	657142.9375	814030.875	732761.125	919277.4375	856800.5	601038.125	772711.5	820401.4375	880868	708552.3125	769523.625	731160.75	831167.875	761232.25	766828.75	643587.4375	705943.9375	801085.1875	829735.25	784607.8125	921575.4375	741051.5	749081.125	880234.3125	892872.6875	800431.1875	736222.5	800133.625	538457.0625
sn-Glycerol 3-phosphate	6364201.5	7005971	6009161.5	7664190.5	4988905.5	4911767	5146630	5212177	6443800.5	5895168.5	6014752	7549901	2577010.5	3157862	4031157.5	4443140.5	2926616.75	2850915.25	2935701.25	3030684.5	3349789.75	3339367	3116829.25	3572549.25	3497648	4224995	3676536	4117547.25	3192786	2864695	3473872.25	3250283	5226975.5	6351104.5	5771408	4900948
L-Serine	10925716	11381297	9580220	11574999	9648325	9144346	8799222	8932372	10241988	9696694	10534854	12084198	8478094	9129117	10848052	11862779	9179333	9567319	9091395	9282987	10645022	9179804	10080148	9635089	11086725	12338376	11042618	11415936	10234111	9296905	9701746	10405502	10419524	12237479	9683881	11001546
Cys-Gly	87635.41406	73635.0625	74913.25781	80816.35156	67612.3125	63249.71875	74170.90625	61978.61328	51764.30859	58082.38281	56851.11719	80465.82813	52439.99219	63974.14844	87218.29688	73251.40625	58093.88281	73260.70313	44860.41406	64867.29688	57829.59766	84872.07031	54193.93359	49148.27734	68541.84375	71472.04688	66113.65625	80639.77344	104727.5703	65765.39844	89238.66406	64661.26563	69250.79688	58843.30469	52041.53516	43425.4375
UDP	383271.0625	469966.5625	396751.1875	466625.625	399177.8438	372545.75	367094.7188	371590.0625	428159.25	350526.0938	364485.9375	392800.5625	267228.4063	283058.5625	389934.125	397187.8438	319274.4063	312213.25	313516.9375	335215.6875	341173.0313	352139.25	279989.6563	307061.875	375486	372048.6563	361855.1875	383421.8125	348586.2188	324494.7188	335006.875	377575.2188	394287.875	373098.9063	377249.375	261452.1094
Erythronicacid	1070649.25	1256701.5	1166682.75	1295281.375	1013380.188	1089418.375	1182883.875	1152980.625	1180131.75	1001849.375	1225494.125	1314195.75	735758.625	965129	1191102.125	1369295.375	899352.1875	903835.4375	951094.5	936963.875	963218.625	1049477.625	912057.3125	1029159.75	987634.6875	1191930.5	1218281.125	1215475.75	774544.4375	823657.3125	1078083.25	1188382.75	1009717.688	1244995.5	1201752.375	926858.4375
Hypaphorine	12887628	14197208	12125699	14709322	12441158	13401488	13712097	13461877	13829976	11728394	14105085	18973714	11647316	13427540	14658358	14386298	13116743	15465729	12431561	12609141	13279914	13662166	11792194	14929875	15338702	15783162	18534600	12960970	12427288	12979919	13427497	14145643	14171603	14748223	14667734	11706977
Phosphocreatine	156322.8594	187661.7031	175893.875	167605.8125	157477.75	145518.1563	139243.1719	145924.2969	144853.7656	148938.4375	160111.2188	153437.2031	113155.1016	106961.6641	159122.4531	198883.7031	134241.0313	120086.5781	116211.0938	132492.0625	120797.8516	114047.9531	126973.25	107692.9219	131416.2344	143953.2656	125023.2578	148312.0781	108177.6094	101072.7031	121192.1719	129748.9453	138873.5	131562.8281	149145.1563	105534.6484
D-myo-Inositol 1,2-cyclic phosphate	474058.9688	462529.1563	388136.1563	518219.0313	549607.125	488533.875	551712.9375	429106.0625	533786.3125	420351.5625	523836.7188	423428.8438	437175	439301.5313	444601.375	403227.125	408889.9688	393110.1563	381733.1875	455285.9688	388255.75	435097.8125	332504.7813	440513.0313	484232.25	392064.2188	465259.9063	527333.375	426302.9688	522146.4063	431041.8438	434120.1563	536668.1875	396499.25	448268.7813	328807.0313
5-Oxoproline	8129868	10187984	8022117.5	9220895	7013223.5	6831294	7074420.5	6677446	7027531.5	8875977	8291410.5	9500801	6529593	7712718	9876760	9107955	7329785	7256970	7640879	7591123.5	8561866	7349000.5	8036208.5	8459733	8699394	10158311	9190890	9973137	8070556.5	7689524	8192756	7468624	6490170	10112836	6912610.5	8014665.5
L-beta-aspartyl-L-serine	98477.03906	125054.6328	98060.67188	114833.1172	90865.33594	95847.69531	94582.32031	113022.0469	110849.7813	86089.13281	116977.2969	102154.2422	95173.90625	94497.40625	99737.25781	109240.5547	106843.3984	95742.60938	117173.75	104447.3594	99159.26563	99177.10156	90787.73438	84867.67188	115358.6094	106282.2578	88472.15625	129436.2266	101577.1016	100378.3125	129873.1172	125707.9688	120309.5703	100404.3672	99477.78125	91671.8125
Vinylacetylglycine	116568.6875	101562.1719	48180.73438	113609.75	109345.1719	99265.86719	90998.30469	114731.3906	110048.0781	136469.8594	104345.7188	126369.2422	55834.23438	75192.17969	111362.4141	145679.75	98495.51563	86391.29688	88219.14844	82804.51563	125457.9688	87110.27344	83101.84375	96156.25	122940.8672	126814.5	110538.2656	101435.6719	133960.2813	91238.91406	64025.98438	83297.40625	76781.48438	63617.70703	118391.3672	130894.7031
Asp-Val-Pro-Ser	263702.4375	219038.25	170878.9688	211061.5313	445801.0313	434859.7188	364919.9375	343128.4375	373971.5	135048.5625	359511.25	378499.3438	470405.6875	461992.0625	470728.0938	411738.5313	369580.7188	440301.1563	437164.3438	387660.5313	352738.2813	351067.5313	235103.5938	294804.6563	381156.2188	366650.2813	461592.1875	249667.3125	288712.4688	489951.375	425258.375	432067.3438	397031.4688	197931.7188	402051.8125	178679.3438
Nicotinate D-ribonucleoside	329716.6563	361482.0938	305535.0938	368064.4063	301030.6875	282726.8125	302928.875	290491.4688	318901.3125	282995.625	344802.2188	348903.4688	155587.6094	225422.375	327167.2813	245286.2188	223708.25	211257.875	253089.5781	226413.3594	243245.0625	245300.9844	259079.7344	283365.9375	268029.2813	298146.4688	325651.875	328174.625	227973.4844	251211.9375	268747.25	241143.0469	306695.875	327482.625	298168.125	258764.4688
2(alpha-D-Mannosyl)-D-glycerate	456011.4375	525046.9375	425844.5938	512530.9688	360711.9063	335903.6875	314795.5	349530.1563	433307.5313	466201.8125	409709.4688	459490.625	235792.3125	345206.0938	435270.4063	446721.9375	376024.4063	304335.9063	290702.5938	364852.5313	394544.8438	320137.2188	372364.0938	407001.875	424055.5625	479908.8438	400568.4063	468098.3438	357326.0313	313726.875	386177.5313	374831.75	397941.625	438769.1563	391653.625	369708.7188
2-Hydroxyadenine	596561.8125	740829.8125	611331.6875	743058.9375	653974.6875	712307.25	597984.3125	707179	520344.875	749526.125	598065.5	831732.4375	374140.0625	612040.6875	613058.5625	709077.75	1315272.5	1349125.625	1204116.625	1214062.625	406308.4375	506078.6875	462777.25	491746.5938	542492.6875	563812.9375	521904.8125	590575.25	774921.375	430904.5	545203.4375	548799.5625	569728.625	715691	798003.5	630641.4375
Morphinone	178865.2813	205148.3594	176517.8906	170696.5781	80900.99219	81165.77344	145048.2188	77268.3125		173209.0469	128746.9297	200176.375	94055.53906	218542.4531	282168.4688	245862.3438	149118	124932.8125	82221.4375	174416.2813	207805.5156	157167.125	192238.5938	276237.75	250945.3125	270339.5	217393.5781	255340.8906	139902.625	158346.3594	154829.3281	193915.5781	177915.0156	232872.875	85327.42188	215935.2656
Diethanolamine	100323.8828	131352.2344	107491.625	121025.8906	138583.2188	100555.7422	133232.1563	120031.7344	139502.6719	117834.0156	166393.7813	151226.1875	149037.7188	111515.2422	112082.5547	147255.5156	123270.5703	125489.7891	136618.1094	120143.5391	109594.0859	132983.7656	126096.5703	113292.9063	139329.2031	162351.7188	142733.7969	130546.8359	102023.6328	106161.2969	179266.0625	112317.6328	117936.2031	98130.48438	97829.89844	117641.9766
Arg-Phe-Phe-Arg	201491.6094	171611.375	160965.5313	184316.4844	147710.6563	133778.4688	148408.1563	173302.0156	190202.8594	129862.1563	206962.7188	176663	83186.98438	74763.4375	134610.5156	108151.4375	93874.92969	77634.34375	88203.66406	79470.54688	79185.89844	91688.45313	70322.71094	105912.8125	120331.4844	93345.11719	100885.6719	99739.28125	79803.26563	81157.84375	85464.26563	105892.7891	144603.2656	149348.5313	156386.7813	128321.5547
cis-Aconitate	466016.75	637965.6875	485076.25	686503.9375	502598	475864.9375	412106.9063	493181.7813	471977.5	451164.0625	492858.0313	546655.1875	413830.6875	411421.5938	536142.6875	604034.0625	432837.625	460275.8438	496596.3125	422891.0938	479028.5	410289.0938	459810.25	487302.5625	471094.625	533697.875	575669.1875	617886.375	498045.6875	398579.5625	520007.4688	529549.125	480547.0313	600922	515899.8125	408757.8125
Phosphoenolpyruvate	341599.5	398544.3438	348941.4688	395488.0625	307312.0313	295916.0625	305083.125	300222.4688	395245.6875	346069.4688	393838.6875	449750.1563	151093.4688	139740.3125	258779.6875	266729.0938	157812.8594	152195.5625	178212.4375	195351.8594	239759.8594	223535.2031	195623.9688	190585.7344	212464.8125	231455.1563	256481.9375	318173.1875	357652.5938	149690.1563	228797.8594	208627.7188	317317.875	316759.2813	327444.5625	284420.5
[PG (16:0)] 1-hexadecanoyl-sn-glycero-3-phospho-(1'-sn-glycerol)	92977.71094	104987.0469	80277.28906	101437.5469	126793.2031	151862.8906	147060.4531	118965.4766	124353.6016	92545.86719	128753.6328	96936.32813	109598.8516	108698.6484	93127.67188	130731.8125	135763.75	143745.2656	151291.7344	113149.3516	99781.25781	127196.3438	100376	78654.09375	108995.5469	130055.2891	128690.7188	119282.2422	169258.7813	151731.3281	165220.3125	156073.5156	126437.5547	107827.4531	128381.0938	89927.53125
LysoPC(16:0)	9139191	10015142	8476702	10117903	5137191.5	4938357	4916155.5	4537182.5	5599231	7399619.5	6114421.5	9602758	5765393	9077225	12329930	12502069	5641352.5	5535498	6674502	6784440	8292042	5181258	8954539	10434407	7791378	10829654	9367946	11447967	5504621.5	5762149	6078969.5	5983873	5592932.5	9430062	5239465.5	7619994
4-Nitroaniline	159275.3125	165555.2031	138045.3125	128900.1875	303079.625	322096.5313	320589.4063	261209.0625	157820.3594	222993.0938	171355.8906	239262.2656	170274.5781	225899.9531	190019.5781	187090.5156	177527.3906	226551.3594	197760.8281	190404.0469	156867.0469	119547.9141	131636.7969	197684.1094	131427.0781	189499.5	233533.6406	172603.9531	130360.1641	121353.8594	220714.9844	253708.3594	140859.0469	161473.6719	134388.2344	208293.9688
Quinate	1179847	1441157.875	1354782.25	1280230.75	1051314.125	1007206.313	1069659.875	1106679	1326627.125	1199980.875	1570041.75	1546748.125	752184.5	979803.75	1199442.625	1264668.5	925509.4375	1117958.375	1146922	1224026.375	1042126.25	1188189	986252.6875	1089523	1257762	1311995.375	1283268	1317135.5	1044136.625	1129149.25	1441091.25	1364053.125	1012489.875	1308223.5	1255969.875	1025477.25
Lys-Val	474779	481308	480245.3438	551095.0625	450518.875	482616.0938	479368.6875	473546.375	465331.75	483369.125	609291.3125	545783.75	315210.375	432797.5	561625.6875	539379.1875	434887.6563	463324.8125	558283.5	435041.0938	489081.5938	485341.2188	394946.5625	428700.0625	483788.2813	649966.125	537699.1875	487557.4375	408543.5625	505319.2188	483410.4375	523454.4063	511113.6563	516414.25	559634.4375	419041.3438
Indole-3-acetamide	241812.9063	280085.3125	581595.5	826360	528375.6875	787946.375	619266.5625	753381.3125	489739.125	831534.375	699306.1875	986719.875	455170.0938	640598.0625	714486.4375	798136.6875	386495.5	339530.5625	854975.8125	844353.25	214147.3281	204281.8438	793143.125	1046769.688	564686.0625	800380.75	814447.6875	533494.0625	209741.2188	186418.4531	208648.6719	322141.9063	508930.3125	1037548.063	538834.125	2191907
L-gamma-glutamyl-L-isoleucine	197101.7813	246294.25	219328.1094	189750.1094	194708.4219	182133.6406	227540.6563	195132.4219	244616.5625	180748.6563	210393.3125	181942.7813	194082.5781	235094.6406	235809.5156	278040.9375	189466.3594	207238.2344	211814.6406	222877.25	251966.0469	203693.9375	154066.0938	146156.6406	210189.8438	204575.75	279199.1875	216469.4375	175626.8281	289930	262603.5	231639.9844	184257.9063	187480.5156	232786.1875	174486.2188
Camptothecin	295625.5	317802.3438	245818.1094	291799.3125	236259.6563	204683.6875	248061.3594	203535.0625	222243.5781	182374.125	232292.7969	234573.3594	189409.7656	193449.2344	286304.375	288716.8125	205322.7344	235210.8438	210587.1875	210505.3906	248130.6875	262644.7813	163873.3125	172594	245000.3438	291096.7188	192989.25	291843.125	227994.9688	249757.2813	307406.625	343965.8125	205841.4531	277971.7188	226453.9531	133485.9375
L-Proline	70318168	85193640	74521456	89222936	66270396	66644888	67041804	73847344	63023040	75815648	66953344	85916960	53106396	98716864	97839848	112380592	75232472	88693648	70601112	71650040	80124880	65655400	74980816	80602128	82726000	89110328	95392024	99148648	75034976	67892984	74331224	75767232	63607844	85061336	68460240	72308376
N6-Methyl-L-lysine	167633.7188	159369.5469	152445.4219	161855.5781	132064.3594	127736.6563	144758.0313	166908.5156	181985.9531	126797.7031	170504.375	177831.2344	103006.6563	141584.3438	177256.9844	204397.2344	153220.8281	152388.9375	193911.5781	157975.1719	138390.6875	172395.8594	121499.6094	145468.75	149413.0781	185550.1094	185834.3281	181651.4531	136047	163264.0938	183260.3906	190052	142442.9375	148501.0156	160674.0469	147118.3281
3-propylphosphoenolpyruvate	142454.5625	148370.2969	153852.125	165627.7031	119556.3359	193507.1563	124124.8828	125042.3906	131899.125	119785.8125	163473.5781	156095.5781	112172.1641	147525.5	158049.3125	174293.4688	127328.4922	159627.3438	145236.4688	118482.5703	104862.2813	126658.5469	124242.4141	135396.0469	113753.0781	194125.7813	144581.7813	144778.4219	121577.3438	128904.5156	149081.3906	154384.9688	109543.4688	201306.0469	128873.4766	133211.0938
N-Acetyl-D-glucosamine 6-phosphate	279334.8438	262206.0938	250056.7188	256003.6875	217593.9844	173553.9219	196168.4219	190591.5156	216015.5156	197133.3125	229502.75	213708.9219	161672.3906	206377.9688	242121.4531	246572.2969	202005.0156	215029.0469	209539.75	197455.7188	206379.5938	184623.3125	210476.1875	223322.7031	240306.7344	253611.2031	240475.2188	270686.5938	235066.5313	208480.2656	220466.9688	208217.5156	219445.3438	220076.9531	207569.1875	181709.5313
vanillylamine	484642.3438	779360.625	626741.75	798527.8125	652670	499668.2813	557196.75	767934.9375	670760.25	456711.0313	647348.25	669118.9375	516086.75	614334.875	796743.5	803500.6875	606698.5	660091.4375	624358.75	571468.8125	543454.5625	735863.5	458093.75	565180.625	546236.125	697305.9375	820210.5	746925.6875	924800.375	534125.0625	728222.5625	753554.25	595600.9375	606515.4375	605074.25	486753.0313
O-Acetylneuraminic acid	334658.4063	407832.4375	318324.75	398047.2188	385303.1875	331635.4063	346761.4688	258228.5938	327291.625	258712.8594	348473	421157.1563	215892.8594	304443.5	402548.0313	326694.75	268083.75	376247.3438	366730.1875	263802.5	284196.2188	294581.4375	311839.4063	381391	354220.1875	419892.0938	349731.0938	435850	247038.8906	286643.9063	305206.4688	295939.4688	331981.8438	368463.5625	323749.75	282268.4063
Inosine	714307.125	838392.1875	781460.5625	892087.125	599491.1875	598589.8125	617924.5625	652940.625	632462.375	760383.125	657836.125	815450	332172.0625	515925.5313	639790.1875	708736.125	585895.6875	581921.375	408359.9063	484343.4688	533947.8125	426613.1875	565780.4375	598986.5	641641.875	664024.1875	651779.5625	650780.8125	612674.5	410395.9375	547445.6875	533728.6875	601601.125	789721.375	694098	735161.6875
L-Asparagine	19264146	19383934	17614096	19341808	15108403	14572922	15975734	15047595	18864780	18347242	18431894	20660518	12715260	15314667	19652410	20564904	16150088	17587188	16052080	15424645	20099748	13100004	14721230	16171000	18340238	21125528	18876038	20433614	18447052	15682398	17475228	17044414	16961188	18495984	16732530	17508666
2-Hydroxyethanesulfonate	45964.73828	19443.16016	40386.9375	14649.08301	234576.5781	304425.6563	286633.9688	228775.7969		152021.1875	17279.07422	184252.0469		33452.83594	15328.6123	20161.95898	31724.79883	23927.37695	10946.91016	14228.65332	14779.5625	29989.82617	11855.35254	13138.29004	42749.9375		43179.875			86183.82031	153189.6719	178103.7188	7635.339355	76491.27344	10638.39453	87046.65625
D-Fructose	1940864	2407019.25	1851451.125	2317116.25	1533732.75	1579863.625	1633567.875	1588555.625	1616947.5	2162293	1936292.375	2385949	1366182.375	1679860.5	2279997.5	2261797	1654806.125	1565776.625	1528438.875	1492710.125	1995436.375	1559372.875	1910778.5	1972234	1960916.625	2486630	2222848.75	2492634.75	1893129.625	1576256.75	1619692.25	1587242.625	1546327.75	2335079	1659076.875	2011932.125
Pantothenate	677956.25	542501	518059.25	579349.875	467239	345799.1875	340389.5313	358714.6875	471826.125	490125.2813	507148.3438	594827.75	309889.3125	390611.5313	538771.4375	468977.25	368514.4063	414179	391890	391135.6563	521705.5938	381863.8125	403126.375	404294.9688	545814.375	563609.625	475100.7813	527098.0625	604934.5	361470.125	385089.5625	393023.5	462240.4688	574189.25	419808.2188	471594.4688
Norlichexanthone	221490.8594	152279.7969	128844.3047	174182.375	118424.5469	148885.8125	154816.8906	97777.5	166250.6875	188850.6563	166679.4531	222732.5781	87686.55469	122859.6172	190255.0781	240479.9375	155850.0156	158117.3281	139332.6719	182007.375	182966.6563	112519.5781	162021.5156	183010.75	172515.2813	244510.6563	166296.7344	208066.4375	162317.125	104159.5234	143960.1406	158885.5	96169.41406	201395.5	162873.8281	185862.6406
N-Acetyl-L-aspartate	137282.8594	127663.9297	126273.0938	114224.6016	90645.625	103520.0469	104774.6484	104413.6172	122692.6719	114261.2422	113852	121622.2891	77063.19531	95566.84375	125872.5	149481.4063	96472.42969	100486.2969	83147.17188	103816.9844	109042.3594	118156.6016	95102.84375	109928.3125	125767.2734	140195.9688	121921.3438	146381.875	115222.1406	104139.3047	106450.0781	115961.5469	118202.1406	109087.3828	128573.7734	82687.39063
3-Methyleneoxindole	63531.84375	120095.9766	173456.6719	222161.9063	76218.74219	141881.7813	42983.07813	158212.0469	62009.78125	153874.7188	154322.4531	284756.4063	77532.14063	163882.2656	216795.7344	240497.6875	107125.8672	211815.5938	171405.6719	337413.6875	50914.80078	52819.92969	171508.2813	273283.4688	141674.1719	169511.8125	200182.2188	166783.3594	29079.40039	87420.60156	83742.57031	71948.50781	97064.79688	265752.3438	62218.12891	572035.125
PS(36:0)	1842643.125	1585752.5	1539380.625	1619658.625	1559134	1541824.875	1621946.625	1604082.375	1604191.625	1198835.125	1785647.375	1645948.375	1600982.5	1888078.5	2072591.625	2193273.5	2283237.75	2171533	2378630.75	1966694.25	1652466.125	1832943.75	1681074.75	1743441.625	2236567.25	2199217.75	2169541	1947725.5	1570640.125	1973770.25	2223214.25	2395019	1419734.25	1658028.125	1539920.875	1375568.5
2-Amino-2-deoxy-D-gluconate	326951.25	347570.0313	296478.4688	403469.125	315450	281499.1563	289101.125	302372.9063	369646.6875	276284.8125	419796.9375	319224.25	231727.1875	238028.6563	363064.8438	399947.375	287246.5938	277371.125	295277.875	361410.7188	321168.9063	338812.25	219513.4844	295500.75	378560.4688	342316.5313	363586.4063	372669.9688	318378.0938	324308.4688	369908.75	376596.0938	320328.9688	289027.5	307531.25	267328.25
Hypoxanthine	86031048	105435272	92193888	96990776	98920624	93832720	97137048	93774144	94349648	89716248	93263560	116566200	47254792	81965224	97007056	91088480	81308120	92557792	66781980	73702480	86536048	69746936	81389392	80566016	97294560	102742008	103075064	91762560	115323816	73559600	115080456	98769120	85139424	112926000	107918656	89911608
[PE(16:0/18:1)] 1-hexadecanoyl-2-(11Z-octadecenoyl)-sn-glycero-3-phosphoethanolamine	381941.125	511162.9063	443583.0938	455161.375	343554.7188	349292.4688	493326.4063	531568.0625	384397.2813	307630.4688	452891.4375	439761.0625	290461.3438	397383.8125	522965.0313	561863.75	299682.9375	338126.4688	514063.125	452760.5938	315182.5938	328813.75	420516.3438	432179.9688	372947.5625	466474.7188	516238.3125	505367.0625	455002.0938	371263.7188	552191.8125	506896.2188	331931.6563	399088.75	431099.4063	408380.9063
Cys-Phe-Gly-Gly	484028.125	597535.875	621004.6875	818826.4375	506366	617778.8125	570620.5	708502.75	486137.2813	542916.9375	649218.375	801129	418740.5625	567286.375	792191.9375	799503.3125	441058.7813	529221.3125	688128.375	819593.9375	403823.3438	296961.2813	641619.375	618447.75	507791.7188	652941.0625	582844.375	705733	625235.4375	642984.375	587352.6875	769128.875	556430.25	698755.9375	531833.0625	530020.9375
LysoPC(18:1)	2166974.5	2520831.75	2454446	2959973.25	1506611	2019964.125	1582633.25	1437043.375	1638630.875	2202557.5	1899117.5	2890558.75	1415681.25	2059595.875	3650701	2901342.5	1570823.5	1628868.125	1590963.125	1626731.75	2250836	1349607.75	2412993.75	2266548.25	1845023.25	2697596	2670740	3201107.5	1289071.75	1364505.5	2015566.375	1683769.125	1337167.5	2528540.25	1499351.5	2053243.125
Arg-Asp-Asp-Gly	130317.5234	134202.75	104173.8281	118421.2813	89522.53125	93431.29688	97620.86719	97184.10938	122056.8828	99988.26563	101904.1797	98258.42969	57750.91797	89060.89844	122573.0313	119499.0547	74258.21094	77952.28906	98674.11719	103088.6406	95964.67188	77084.21875	74449.74219	85339.03906	99569.40625	85230.36719	123083.1328	111605.8516	115035.5	97240.16406	110591.8516	120840.4531	107566.9609	83869.78125	107628.1484	63629.70703
[PG (18:1)] 1-(9E-octadecenoyl)-sn-glycero-3-phospho-(1'-sn-glycerol)	56230.3125	66436.35938	81121.70313	72220.86719	98374.00781	82067.42188	88118.53906	96836.10938	76474.16406	64985.46484	88394.96875	83607.88281	77348.125	71115.98438	72494.35938	95154.11719	97887.83594	96557.19531	101724.6641	87104.09375	75786.73438	104423.8047	80583.86719	66181.64063	96344.6875	99540.66406	95272.10938	120958.2578	119802.7813	91776.58594	110699.4219	114130.8828	89882.48438	73544.07031	91885.85938	88549.26563
Ala-Ser	73764.89844	120837.9141	95667.04688	88741.96094	89122.98438	74927.64844	79934.15625	84740.5625	98527.79688	71084.27344	112763.8125	83631.44531	52102.25781	72292.73438	86772.21875	95959.21094	65067.10938	78444.80469	100296.6953	74789.86719	99571.28906	74623.21875	66074.8125	71363.03906	98498.28906	91326.98438	89353.29688	114189.6172	68971.47656	73955.27344	92352.89063	84412.19531	109745.4844	101588.2734	91303.80469	54282.20313
2-Deoxy-2,3-dehydro-N-acetylneuraminic acid	1183612.875	1279405.75	1188578.25	1426898.125	1232268.375	1120209	1097655.25	1174820.5	1296286.625	1185683.125	1392091.25	1372460.625	1058300.625	1243113.875	1239516.75	1369888.25	1223416.5	1323158.875	1141272.5	1151245.125	1174954.25	1173712.125	1127368.625	1188911.875	1276706	1321150.25	1531933.625	1765383.75	1110615.375	1102206	1571013.625	1362059.875	1055707.75	1351873.5	1187308.875	929790.4375
1-(14-methyl-pentadecanoyl)-2-(8-[3]-ladderane-octanyl)-sn-glycerol	890251.6875	612074.375	653521.1875	644519.1875	607699.5	684059.625	626640.9375	628075.3125	701908.1875	499323.125	701106.4375	610046	590568	787264.8125	808787.625	870810.9375	846912.0625	822113.1875	793357.0625	835505.5625	612709.8125	742728.3125	656539.5625	673128.0625	801901.1875	802991.5	958613.6875	833025.8125	643651.875	813713.75	820954.9375	803819.0625	581854.875	597025.125	587715.625	544829.8125
Glu-Met-Ser	221753.3125	229566.6406	220843.5313	233431.0156	208243.8281	160132.7656	193427.5625	206073.2188	198059.6875	170028.2344	190696.7031	159208.0156	167055.0625	212797.1875	208015.0156	238563.5469	176219.7344	202762.8594	185116.6094	176416.2188	192700.0938	203000.6406	145856.7969	134181.7656	213909.7969	199909.6406	221701.7344	220855.3281	227147.3125	197116.4063	257886.5938	233649.0313	227093.9531	186607.8594	175322.9688	89776.28125
Methyl 2-diazoacetamidohexonate	4893812.5	5892331.5	4339085	4380275.5	4379458	3601774.25	3572095.25	2966748.25	4322753	2617600.5	4304176.5	3611493.25	3099005.5	4500445	4801098	4760022.5	3559837.25	4412807.5	3521716	3383260.75	4825297.5	5163127	2536390.25	2963700.75	5284352	5284704	4502992	4559509	4660943.5	4078732.75	4989402.5	5366096.5	4288668	3345625.75	5063413	1053960.25
PS(36:3)	906231.0625	872486.875	699869.0625	740175.8125	772237.125	771919.5	844539.5625	756320.3125	889977.5625	633014.5	833154.1875	873741.9375	663943.8125	820827.125	907233.4375	1009103.875	845773.5625	855413.8125	876154.625	854108.8125	692436.9375	737942.75	653137.875	692272.25	768117.125	869114.5625	1003966.75	878235.625	706766.9375	894939.3125	865656.3125	910962.25	699038.5625	849584.0625	749840.9375	651331.625
Ne,Ne dimethyllysine	142353.8125	169549.1406	132892.8594	162569.5781	152648.8906	151548.3906	169751.7031	149003.4219	151771.125	122572.1016	165293.1094	180641.4688	127839.1328	141910.7969	168002.1875	209933.6719	172526.2656	199386.6563	204865.875	206113.9063	121143.3984	162988.6875	120763.3047	145071.4844	160108.625	165618.9531	175829.375	196935.4688	124836.0234	149260.1563	162554.9688	168621.3438	137520.3594	154809.75	178614.5938	133911.9531
Kievitone hydrate	1136311.125	1291251	1109074.125	1255718.625	917873.625	1092197.625	1019192.313	901264.3125	1059039.375	1130682.25	1096549.875	1391041.625	509501.2813	954699.625	1041350.625	1089055.875	908130.1875	991669.25	771001.375	871109.125	1082055.5	807116.8125	1037953.938	1135831.5	1235025.375	1247554.5	1274668.625	1409978.125	1579967.5	781513.875	1124550	1135076.5	869859.875	1233220.875	1223098.375	1140188.625
N-Carbamyl-L-glutamate	226852.8281	253694.3438	233356.2969	241960.1875	220635.4219	200511.2344	220403.1563	201071.9688	250436.9063	179672.7969	237677.6094	231064.4531	250926.3594	265401.2188	255700	248392.6406	216542.1563	254936.4219	230340.7188	268678.5625	258939.2656	242971.9375	181365.5938	232099.5781	297807.9063	307381.7813	279120.2188	283427.2813	226079.5781	282979.3125	293261.7813	302190.9688	221643.125	206999.7031	230206.5156	167619.5938
L-Methionine	26696450	31854202	27536590	29708402	20855184	23136468	19504532	20964510	23481730	28966668	23283670	32742208	15925081	20924562	31461998	35042416	24427210	24280962	27262432	24380904	25414740	21888790	27938880	26756596	29181224	30701828	32767588	37901220	28924426	19768566	25029906	25673994	22751534	34171576	23265474	25122844
2-Quinolinecarboxylic acid	160397.4688	210821.2656	336827.8438	376631.5313	109714.125	394015.125	204493.3438	289878.6563	127003.1406	378172.25	273897.0938	443661.8438	206660.7344	361297.2188	461602.875	441611	234716.4531	182908.4531	308365.25	689484.4375	111805.3438	71244.13281	407367.6875	504507.9063	305672.0938	349195.3125	482289.5625	266149	89483.85156	211608.7969	155549.1719	208362.0156	199594.75	459949	131379.6875	1158213.375
Cassyfiline	765352.875	916604.75	630194.5	878733.8125	434463.9688	387706.8438	321144.3438	344654	577813.1875	899192.4375	559376.75	956181.4375	312846.9688	586236.4375	800214.875	969615.5	472606.875	532902.9375	415789.75	531770.8125	861238.6875	401160.875	687507.875	727487.9375	782318.6875	1134165.875	651670.9375	869303.3125	363630.375	473774.5938	411645.2188	376893.5313	600437.625	970390.125	564538.6875	927597.875
(S)-2-Aceto-2-hydroxybutanoate	180702.2188	186258.4219	184939.7813	165365.6563	156529.6406	171733.7969	135868.9844	146919.1719	171819.8594	169228.3125	177964.8438	204538.125	122540.5156	140154.3281	181851.5781	187951.0156	138531	127589.0469	164481.0469	194962.2969	159701.6406	143934.0625	133833.0625	139037.125	176767.3438	179871.5938	192393.7813	191631.5469	150164.5156	166158.5781	218727.3906	198043.9688	160487.5625	189815.5313	166938.8438	180224.3906
gamma-Glutamyl-Se-methylselenocysteine	346355.125	383556.75	340869	352969.7813	376524.3125	305544.3438	302686.4375	366468.4688	267359.6563	265340.3125	235848.5781	309884.8438	745445.5	1011839.75	914534.5	971088.125	785644.375	913734.0625	992393.1875	740045.75	627290.9375	622475.4375	566492	719920.875	822782.3125	861076.375	833800.1875	754078.5	416404.6563	960405.5625	869233.75	1002728.75	311798.2813	321663.5625	267739.7813	224055.4844
LysoPE(18:0)	497804.1563	531828.75	475307.25	591033.25	305009.625	323430.2813	226966.4688	292920.5938	295318.3438	418392.8125	358277.5625	570040.0625	293995.3438	489282.3125	621662.25	732018.4375	337493.875	370052.5625	341313.0625	291885.75	552239.5	345402.1563	442064.8438	603787.1875	467062.5313	751696.0625	522212.0625	766911.3125	320922.75	363212.375	258927.7344	279824.9063	369742	646201.1875	279555.5313	451124.6563
gamma-L-Glutamyl-L-cysteine	279967.0938	314880.4375	249521.5156	231412.5	196396.2969	192908.2813	232623.7969	210111.75	286310.75	195613.5156	271047.2188	224739.5	105026.2422	107607.5313	158765.5781	149812.3125	167221.75	157075.2656	120663	158099.5156	153124.7344	139472.2656	79047.69531	85444.01563	162818.8438	134845.5156	134853.2344	157341.6719	154968.5469	120309.4063	155579.9375	175537.8594	203601.2969	171951.4375	239727.6563	132306.9531
Asn-Val-Asn-Asn	9679316	12865008	9696054	13672589	5595727.5	7697899	7103016	6667568.5	8139385.5	9781896	11141423	11028434	5659643	7774226.5	13617484	11108318	6870144.5	6106042.5	7471075.5	8240615.5	9075763	6483344.5	9493009	9415036	9390390	10751078	13630859	10742932	8553368	8743343	8691611	9759933	7504364.5	11328526	7651258.5	12350347
2,3-Dimethylmaleate	1141786.25	1200443.25	1040404.375	935581.875	634010.8125	614474.0625	631540.1875	651124.75	557600.75	1050204.25	974735.4375	1407429.25	344722.8125	555975.8125	902303.5	904033.625	440819.0625	478613.5625	412924.5313	606684.4375	774817.5	559711.0625	783147.0625	681810.3125	988319.3125	939915.875	832207	856062.0625	906453.3125	477183.6563	697703.25	418836.0938	645412.1875	1101913	759394.125	1197644.25
LysoPC(20:4)	237601.75	294298.0625	280325.0625	336002.875	289730.875	375606.3438	234337.9531	399729.3125	230289.5938	321138.875	318369.75	408428.7813	91329.52344	208010.3125	382523.5938	358299.875	248552.6094	178127.9531	236174.9531	286146.625	247396.375	208734.6719	293322.9375	336802.6875	268810	398549.1875	396529.4063	341679.4063	200311.3906	218338.4375	248026.7344	268722.25	109106.8984	374632.5	248191.7656	294036.0625
N-Acetyl-L-citrulline	243368.1875	249176.0313	310607.7188	302131.0938	260995.4844	270999.3438	277906.3438	269663.4375	295195.5625	321329.25	308167.8438	259241.9219	176645.1406	276364.25	261356.8281	232268.8281	230650.7188	225280.2344	355653.1875	325034.7813	156329.2344	119335.8984	309358.75	233460.75	245526.4844	283634.6875	316188.5313	219291.1406	125069.1719	170837.0469	208453.5	190725.75	248844.8594	339749.1875	207061.8125	321278.3125
L-Leucine	55613888	69747904	51580844	67320224	42346248	43255928	38946956	48661244	49200476	63895608	50434116	67124688	38428572	46182244	60188620	53935504	48861072	43932064	46615780	44526740	60955688	44411640	51463464	46510184	60403036	70837088	64755660	68523592	59622276	43938576	47655860	45847144	38925552	56915308	43915028	62128468
3-nitro-2-pentanol	38410.41406	43365.99219	61524.5	81213.91406	70055.65625	127889.7266	85106.13281	106254.4453	73673.42188	68421.73438	91172.88281	107152.1953	54717.52344	34942.82813	97838.28125	112832.1875	25342.84961	31378.90625	67991.54688	75810.90625	38229.91797	36147.63672	100249.1016	64497.49219	42013.34375	88358.5625	88250.0625	92484.53125	39742.77734	50017.125	79149.86719	67026.50781	70691.03125	50493.40234	80300.17188	98527.39844
octulose 8-phosphate	174168.1719	181912.7813	168140.5156	171801.4531	147981.2813	153199.9531	167176.1875	157976.6719	185424.5469	153074.2344	188736.1406	186468.9219	128891.1875	168221.7031	189736.9219	186464.4375	156280.3438	170336.375	164087.7813	157090.8438	150529.375	152739.8438	122179.6797	152319.5469	182158.5781	186193.6875	178686.9219	204813.0313	169787.4375	163139.6406	170928.625	187900.4375	180496.7969	155545.7344	176453.5469	108410.2188
melibionate	194756.5156	240906.6719	194031.0625	170341.0625	178776.3594	169211.7188	133589.6563	150261	194705.2813	156066	172585.3125	159387	114962.0859	135138.5469	222148.3594	179914.9688	150307.0469	138297.8438	143006.0156	160439.4531	162776	138497.6875	127624.4688	147354.0625	168368	189930.3281	190877.4063	201903.7188	172379.7969	164718.25	188416.8906	212205.6406	158367.6719	187591.1875	181553.3125	131364.1406
L-Ornithine	9660686	9480969	8695998	9906217	8766692	9091807	7614992.5	7798637.5	9352063	8076119.5	10208574	11060733	6885519	7997673	9043918	11170525	7375332	8433050	9126988	9293193	8791374	8672096	7586747	7729947	10181909	10913544	10773474	10898427	8184826.5	9008115	9540909	10146200	8879984	9340271	8920150	7994231
AMP	5407048.5	5342355.5	4818540	5684157	4845228.5	4256461	4779443	5026051	5802730	4663037	5528120	5060353.5	4446644.5	5970879.5	5936540.5	6313972.5	5686802.5	6202671.5	6328836	6502242.5	4952502	5146770	4667784.5	5069371	6756427	6405669.5	6325020	6401662.5	5840577	6498978	6994159.5	6805601.5	5958527	4890782.5	5938265.5	4345287
O-Acetyl-L-homoserine	540880	601270	570736	656467	790240	1422583	1111244	1130836	2084217	1304574	2017899	2014531	326417	448290	547980	624434	464665	405883	835105.75	871679.4375	803172.25	522528.375	796288	773152.1875	947331.5625	747629.4375	1025327.688	1075082.75	675643.75	856802.0625	995041.25	959540.5625	1187076.375	1101673.125	1322873.875	1751331.5
Gyromitrin	1608424	2042781	1647843	1943959	1190343	1274205	1257952	1373412	1583457	1661555	1332495	1814373	1125108	1417229	1816831	2244494	1406345	1342011	1250361.75	1446454	1540793.75	1273394.75	1741228.25	1730190.625	1612039.625	2289632.25	2093880	2273431.5	1718053.125	1463739.375	1509812.125	1676287.5	1384930.25	2028575.875	1532943.875	1601340.125
L-Glutamate	43333388	53264888	44591528	53217624	33931176	36317424	35058612	35211376	41812496	50394416	43040228	60572040	26389122	38970448	49600156	52941000	34227708	32751860	30529902	33640688	38251544	30883216	37067748	37925508	42497576	52540820	42174960	52803304	44419132	32293986	36965292	34408228	38893032	54868468	42378948	48512900
L-Alanine	2975743	3123208	2858643	3147539	3373210	3237190	2929737	3101083	3154385	2687736	3684529	3569344	3028134	4236107	4490866	4369728	3258297	3360612	3947864.75	3578624	3617983	3128139.25	2991353.75	3449230.5	4292473	4100142.75	4478444.5	4570778.5	4086086.75	4025971.25	4191102.25	4216759.5	3090906	3272359.25	3174724.25	3213837
nonulose 9-phosphate	100746	101270	87831	103017	88638	87258	88369	83891	104341	86921	94516	108742	65807	78376	104011	85161	81135	87723	81864.35156	78505.3125	84755.13281	82073.78125	72543.05469	63877.08594	84084.72656	99917.08594	104419.4375	113008.1875	124430.625	85236.44531	99652.41406	101961.7656	98576.77344	98540.07031	93382.89844	57611.23438
UDP-glucose	2526929	2527184	2463565	2770518	2150868	2110226	2086492	2321044	2535540	2129877	2469857	2686030	1420200	1612500	2397845	2446549	1723064	1772862	1849133.625	1918711.75	1999082.375	2084290.75	1525564.125	1737575.625	2183231.25	2413327	2528788	2603480.5	2535497.25	1892323.5	2305254.25	2383788.75	2263698	2245490.5	2226270	1588806.125
PG(36:2)	470401	459440	432754	429244	389460	461268	402664	426058	455262	396275	534714	466551	450734	603336	562693	611194	601648	703911	651804.0625	660890.75	460602.0313	482776.5	493595.1875	493087.4688	577287.75	674892.25	693878.125	614914.4375	555091.9375	629401.1875	738527.75	683667.0625	433735.875	451210.5625	442587.9063	393809.5938
Glutathione	76162432	85201248	74848664	79558832	56274852	55397992	57081992	55821820	62290512	70288696	59316692	75417216	47269684	55610956	74639496	71768232	55044116	56599068	47213864	54384992	65134972	58223804	52858568	52765336	76778632	73497272	72808872	80837152	83319600	60354120	66503288	65797012	61681524	73380416	60393224	41500288
D-Glucose 6-phosphate	2541363	2627279	2433581	2587173	2278785	2250045	2156065	2293422	2111176	2129934	2146028	2294700	2072603	2553593	2903610	2804668	2314128	2496269	2297283.5	2250551.5	2396481.75	2653303.5	1906826.25	2054345.875	2802135.5	2904866.5	3203743.75	3140669.75	3329338.5	2889166.25	3054239.25	2994588.25	1922022.625	2144001.5	1964944.125	1419424.875
deacetylcolchicine	421563	510967	459337	555845	415695	348786	328385	416203	597761	397572	390413	438031	286947	322425	508327	508084	334722	337567	325564.0313	309821.7813	362087.9063	264603.5313	331609.5313	477417.125	471966.125	570047.875	367687.3438	512926.5	387045.625	407263.1563	460210.5	402291	389732.8438	469263.4375	318716.8438	450793.6875
L-beta-aspartyl-L-asparticacid	185101	177501	146610	188521	149403	145111	160501	143541	182603	147738	161092	155520	146248	159467	236220	232324	182237	194606	204962.1719	202114.3125	176467.4375	163884.5625	124189.0469	131872.6563	181898.9375	188682.3281	213565.1094	214789.4219	192094.9063	158656.9063	216195.7031	193813.4531	160697.8281	142443.2813	144890.2188	119675.3281
L-Glutamine	311265408	372144960	302178432	362991648	248156560	228073440	237905696	244698656	277977504	288861504	259718384	345955616	224464336	247734144	345234816	358616320	235881664	251410528	222296736	247844448	297870368	204859152	290300288	276742560	331799936	359668192	324533184	418801792	313761120	238595984	277492544	294002688	247322944	376088256	256863424	320211744
L-Glutamate 5-semialdehyde	55064896	72564680	62751232	63732160	44076512	44042120	50435584	43974520	49744912	59533232	53326540	72182056	33558556	47478676	62364388	65168236	45049996	38775464	41315236	45131064	54733424	42742116	53096300	48782804	57746816	70929528	66955276	71866792	57237568	45815168	47736528	59134844	48860436	70137784	51519776	64136936
D-Fructose 6-phosphate	328820	347639	324600	347761	299456	320178	348747	352830	606485	601859	610573	701909	298473	365161	482911	429387	370782	399086	621627.375	349374.2813	370498.9688	353664.6563	281888.5313	361426.9688	477296.5313	443791.4375	478322.875	445037.1875	898738.6875	440851.0313	491092.7813	493739.5	565571.75	276852.1563	291570.3125	270683.8438
D-Galactonate	4797566	5422029	4434581	5136751	3802042	3932239	3834608	3878179	5202446	4561077	5284180	6215114	3293992	3389709	4753917	4630120	3426290	3258975	3692451.75	3662293	5084196	3769318.75	3062442	3329248.5	5663663.5	5047434	4742159	5169791	9139245	4861761.5	5805936.5	5382239	4276279.5	6153457.5	4543750.5	3563981.25
5-Guanidino-2-oxopentanoate	366900	667208	487706	498625	377695	356440	330211	300857	334629	411970	704194	607703	348941	366534	419295	475856	231187	372612	257700.9844	205002.3125	324254.4375	244271.8438	258810.0313	299475.75	379426.5	400075.625	394110.8125	358510.7188	488523.1875	396629.0313	340139.5	225586.5781	363055.2813	359423	381040.7188	442749.1563
N2-(D-1-Carboxyethyl)-L-arginine	201955	199887	154434	161548	162266	224416	168303	167364	178563	145153	194230	150058	279770	351967	350797	311838	249571	354768	362197.9063	296544.6875	267857.9063	221363.5469	214300.0469	289220.5313	369819.2188	368045.6563	303727.5313	310221.6875	230560.5781	278860.875	343124.3438	364102.2813	185056.3906	183271.4375	212726.2969	170541.5469
Decanoyl-CoA	335715	314920	309795	327769	232540	237678	262111	235706	263001	154907	236236	184788	224353	251478	312764	273157	236789	255168	211195.5938	212214.7969	253177.4844	277530.9375	103741.3984	166550.0313	270755.2188	248651.4375	280416.5	292895.625	357401.2188	308474.6875	379841.4375	286477.3125	252910.6406	221255.5938	238700.2656	64604.39063
Met-Met-Met	658154	639365	538740	559736	471097	357368	392401	449295	592658	370801	483865	425539	373042	455923	587971	619447	421270	489287	365564.0313	478592.5	519868.3438	569980.25	274053.5938	376399.0938	617484.8125	511628.1875	659858.3125	586550.4375	564199.75	529732.125	635944.8125	669498	442262.4688	395056.7188	499308.8125	181572.8281
D-Mannitol 1-phosphate	3083834	3238732	2693073	3083535	2296533	2233925	2239752	2372160	2702063	2488843	2867732	2997292	1602775	1864272	2949460	2973651	2051816	2033642	1953389.125	2269148.25	2258668.25	2066274.875	1760836	2083051	2438022.75	2847931	2830487.75	3043466.5	2928663.5	2133803	2606246.5	2761012.5	2437230.75	2639547	2528913.5	1915594.5
PS(18:0)	138798	144161	149142	152840	141801	203992	188174	183995	151410	142977	151023	187651	108422	139548	211705	194776	117972	134999	162744.25	137142.2813	110985.3828	96524.85156	129058.2813	155011	124023.7266	179635.9219	193703.7656	175682.5938	147097.6406	133066.2188	166483.0313	179765.1094	137915.6563	187038.9219	154345.2031	153965.0781
S-(2-Hydroxyethyl)glutathione	352743	345913	324302	328869	247565	212489	224891	255724	283810	203037	261300	258827	245954	241945	306769	358839	261294	252713	210041.1094	213896.0625	289120.3125	304811.3438	164642.5625	159153.4375	288329.9688	385769.4063	309601.75	274291.5313	175693.8281	242894.9844	305383.375	317631.5313	261935.7031	227708.2031	271120.6875	129405.0547
Trp-Ala-Cys	212809	224727	182998	222627	168300	180376	182929	144303	222967	166237	228893	205902	93517	137851	188783	199489	120262	135923	150723.0938	150704.9219	167210.0625	190167.8281	128455.9688	131614.0469	209623.6406	201050.0469	230093.1406	206824.5469	173561.7813	152040.2969	197703.375	191223.0156	211186.3438	183090.0156	213137.5781	130835.8984
L-Cystine	3535816	4710868	3471245	4394246	1097738	1137248	965666	878712	1921510	5283070	2371083	4573988	1218568	2338075	2923827	3827555	2256081	1435600	1409107	2262167.25	3783367.5	1363391.5	3485881.25	2952168.5	4576916.5	4322444.5	2952527.75	4123203.5	3154336.25	2183749.25	2219055.5	1731953.125	2008825.875	5282626.5	1592869.5	6579881
Cholate	116375	134029	118145	128499	72417	96394	87407	86173	102970	138830	100948	136897	103515	129994	170270	170452	126437	135537	116634.2188	127558.2969	145436.1719	103265.0078	120221.4141	144028.2969	150373.3594	204190.9688	183672.6094	169579.375	212757.0938	129330.6406	129793.9219	130113.625	103369.625	138976.7813	81082.05469	113838.8125
UDP-N-acetyl-D-galactosamine	2393953	2387240	2188170	2377330	2218631	1787111	1953581	1946507	2184112	1682967	2065021	2212831	1377659	1530057	2209470	2111996	1705245	1786438	1786397.375	1735737.125	1623058.875	1681139.25	1563574.75	1797424.375	2250090.5	2307707.25	2325523	2341232	2263486.25	1719079.25	2242269	2247416.25	2066037.125	1939409.75	1908990.375	1311903.375
Lys-Ser	30509	36229	39280	35750	32582	33916	37809	34032	35317	31430	36201	41684	39303	51527	55467	36865	182104	202996	192563.1094	186701.5625	43258.13281	35354.17969	34154.17578	41833.48438	55820.08203	47670.13672	59825.79297	50678.26953	46506.26563	47910.98047	61501.90234	40741.60156	37310.66797	25893.27344	34191.48828	19892.34375
Anthocyanin 3'-O-beta-D-glucoside	62791.98047	66539.33594	49627.40625	70654.78125	61140.28125	62337.73828	60858.84375	64871.52344	68480.91406	50358.31641	64866.99609	58525.94531	69080.09375	91928.13281	102820.4063	93722.89844	56582.13672	61113.87109	69291.21094	61074.29297	63369.9375	69630.53125	68847.10938	68984.44531	88987.52344	98592.74219	92536.32813	94957.10156	74191.76563	87077.60156	106222.8594	100778.0313	58926.875	54832.02344	59402.96094	58974.48047
L-Isoleucine	51155384	69747904	48201436	56847204	36893512	38956276	38946956	38210712	44736364	53349840	46280100	59250256	39607888	47811540	66301884	69926416	44079608	42960260	42396068	43940312	50321788	37783312	43414656	46289760	57679576	63085812	59384448	66303412	54914204	58485708	58437892	57277488	45953216	56915308	46004572	62128468
N-Acetylputrescine	2146092.75	2469011.75	2021826.875	2660483.5	1300117.625	1492194.75	1449371.75	1489451.375	1809377.5	2406255.5	1951965.875	2827509.5	1118334	2095999.375	2250671.5	2897591.25	1668160.25	1457158	1456731.125	1695845.875	1868979.375	1409870.375	2097691.5	1892730.375	2296007.5	2635083.5	2349254.75	2805314.25	1480168.625	1309187	1615407.75	1738902.125	1441080	2530642.75	1765436.125	2346633.5
(Z)-4-Hydroxyphenylacetaldehyde-oxime	78193.25781	86245.875	84959.01563	85123.13281	110682.2578	131749.1719	40542.35156	131031.4375	115671.4844	116515.7422	85628.76563	94431.35938	83231.41406	64844.91406	78272.72656	79660.13281	52248.70313	43823.0625	116525.8281	67550.70313	64752.09375	51759.19141	71863.73438	68581.09375	73374.96875	91908.35938	82530.25	108895.125	121079.9063	117771.2578	61083.47656	56177.29297	57341.13281	87278.92188	94939.80469	46874.49219
Orthophosphate	16715973	15714973	15567146	16810942	13220635	12874241	13412344	12898925	16918000	16076897	16961072	17620606	11482631	12362791	15528251	15184666	11866134	11915015	13431979	15199149	13613317	12544255	11702671	12164805	17412736	17240322	17965576	17073100	22498968	15850740	17887130	16896170	14998963	16812728	14524453	15458737
Glycerophosphoglycerol	348188.25	410270.5938	362212.25	440120.8125	290538.4688	312959.4688	319415.6563	349143.0313	419238.75	355724.5313	456836.5	410338.0938	271366.6875	321163.7188	422690.5938	441245.875	343983.0938	339645.1875	419375.5313	402412.6875	316299.1563	325629.5313	305490.3438	353920.375	415276.0313	445806.3125	501099.3438	467537.9375	439610.125	388508.75	536439.1875	478918.8125	324838.2188	363992.9375	360562.1563	350930.9375
Glu-Ala-Ser	80278.53125	85020.21094	76950.38281	70233.57813	81453.60938	73018.51563	60560.95313	77941.77344	81010.42188	66408.125	80750.79688	82957.57813	46229.33594	80182.75781	87953.07031	95864.41406	81165.4375	80021.76563	55351.29688	61507.36719	58439.33984	58909.52734	64611.51172	72625.625	84332.00781	100672.0078	85695.53906	89397.51563	79023.875	80689.76563	84821.73438	95899.51563	76992.44531	72104.64844	78938.14844	59679.92188
D-Galacturonate	718360.0625	850406.125	698984.5	771216.6875	457887.125	638775.625	529850.6875	513215.375	698815.125	798949.5	813552.75	878295.75	281131.5	483322.9063	717264.0625	832751.25	571943.625	505518.625	461735.9375	571117.375	621701.9375	473417.3438	568763.75	534936.125	696509.625	813058.375	807012.9375	802944.5	829530.5	533302.6875	595382.8125	606953.25	553329.8125	767019.1875	676441.1875	668554.375
Thiamin	636279.625	841647.875	621542.6875	724348.5	405805.8125	463800.0313	443580.0313	411529.2813	509593.0313	762601.0625	601205.5625	821745.875	466082.3438	597340.8125	863684.0625	761953.5625	524787.5625	598294.125	492313.6563	579673.3125	625106.5	555873.25	609237.8125	570787.6875	811203.6875	855315.125	754614.125	955794.4375	767826.5625	576317.625	582452.0625	682616.5	545511.4375	784290.1875	568723.5625	659453.0625
L-Aspartate	24870264	30947674	24020412	31095538	17124194	16811204	17229444	16619581	21733006	27615842	21777872	34576664	10979716	17374992	26048692	30616160	20699260	18943832	18163242	22593744	21605388	17166690	20059852	23664720	24356412	32021238	28306038	33627344	26259560	16953050	20880262	20446918	17628094	29254032	20192664	27131876
2-Oxoglutarate	4950807.5	5165805.5	4140934.5	4801752.5	4365692.5	4021958.25	4371729	4319406	4812535	4054896.25	4750017.5	4863275	4464312.5	5264410	7006878	7213875	5145814.5	5346069	5402603	5726725.5	5721515	5616018	4827506	5249362.5	7019659	8272878	7538698.5	7921674	6935324.5	7054959	6862811	7376299.5	4388824.5	4786494.5	4583083.5	3417935.5
Hydantoin-5-propionate	132647.7031	137513.5	139029.3125	139491.2344	124719.7656	117503.0781	152690.2656	123168.1016	133155.4844	109887.9531	143840.1563	148830.375	152256.7031	165569.7344	177148.9688	195646.2813	120325.375	122216.7188	114817.8281	141551.5156	138384.7969	125307.9063	119237.3281	130111.9453	176489.8906	193933.2188	177854.75	189222.4531	162866.6875	162687.5156	177503.4531	181273.375	119171.3516	138979.4375	136763.6406	118276.1406
GDP-3,6-dideoxy-D-galactose	167127.625	329207.75	299461.4063	428523.9063	225537.9844	445974.0313	426230.25	661784.8125	208536.1563	156586.2344	421795.0938	704686.1875	112373.0469	264140.4063	501438.875	924939.4375	123890.8203	231265.5156	345659.125	346111.2813	121804.4063	136574.7656	264600.9063	430146.5625	160869.4531	394998.5938	415120.125	413258.1563	108995.4688	169993.4063	475261.5625	443637.875	108024.3984	518052.5313	231453.1094	418730.9688
L-beta-aspartyl-L-leucine	197275.3438	192316.6563	155549.0781	186054.3125	126493.6484	149912.0625	146763.7813	125901.3125	165587.8594	178059.8438	158048.2813	199738.8594	152963.625	158050.1875	177134.6719	200606.375	150025.2031	155994.5625	165726.1563	172078.6719	136225.1563	140075.375	131513.2813	158882.1094	182474.4063	205201.7031	207088.9219	239579.8438	178111.6094	196827.9688	209142.4531	193502.1875	158627.6094	165667.0781	205137.6563	128809.9766
[PG (18:0)] 1-octadecanoyl-sn-glycero-3-phospho-(1'-sn-glycerol)	296671.4688	279476.6875	352232.5625	329621.9375	373758.375	449263.3125	444932.75	438597.4063	385401.7188	310233.125	467116.0313	328685.4063	394011.1563	345940.9063	363978.9063	345628.6875	391360.625	464083.1875	530656.6875	445024.7188	294314.625	322896.6563	246000.5625	267360.1563	396867.6563	411462.875	434753.375	421910.0313	514340.4375	500091.875	604728.5625	565101.5	382522.3125	333614.9688	480978.6875	308665.7813
FA methyl(15:0) tridecanedioic acid	16549.04297	1580512.25	2320704.75	105944.9375	2666304.75	672989.25	2521402.75	1726216.5	1053058.25	1197330.375	1251226.5	1702776.25	3056452	1022465.813	1392442.125	1990238.375	3148590.25	1636989.875	1256676.125	830179.375	1019555.563	461977.4063	771267.375	741805.3125	164748.25	1609369.375	2152740.5	488019.6563	148796.5	104038.1797	1070128	141583.5	63478.24609	787315.375	51712.11328	201804.7969
gamma-L-Glutamyl-L-cysteinyl-beta-alanine	160054.2969	145170.125	129146.4766	148529.25	80272.70313	81223.78906	82972.36719	81043.55469	135228.8281	101825.8438	149566.625	118707.75	70366.42188	96251.76563	145494.7188	127878.9297	97692.51563	94458.72656	101157.6719	135250.4063	101805.7422	112913.7031	68545.125	95887.64844	132069.9063	134951.0938	142295.6094	150921.9219	88208.5	129495.0625	157464.875	146205.1563	121035	120314.9219	125381.0156	89740.36719
Ile-Cys-Phe	121381.8047	105143.2031	119625.7344	149852.7344	78036.16406	85916.30469	90769.22656	98224.42188	108235.6797	114425.8672	131438.25	162800.1719	76838.16406	108282.3516	160016.6563	142824.8281	109553.8828	113171.8281	112057.3672	122795.1641	74518.36719	75090.52344	111826.9766	120835.1875	133285.2969	161499.875	149850.625	122842.9688	99704.28125	136487.2344	113255.4922	122906.6797	90372.9375	139968.7813	103131.0938	111052.0625
L-Histidine	31122078	35771520	31456434	36089144	24273828	25795860	26916208	23703084	31354734	30352138	33685412	38681028	18840282	32381222	38075768	38117296	24803752	26529816	27154624	27391794	28982406	24601458	25656366	29549136	34602516	40599496	40978980	45504572	42030552	29192382	33795844	32795108	26219694	37895636	27813424	33286692
LysoPE(18:2)	61053.8125	85532.71094	77848.33594	99304.34375	65022.17969	100859.5859	87648.26563	88902.75	76212.90625	65497.875	79691.74219	106899.3281	41140.92578	53171.96875	121946	109153.3438	50217.00781	50449.16797	63172.32422	84435.46875	51210.93359	50060.39453	71770.88281	87360.96094	64589.14844	104810.8516	124231.0859	95782.92188	76805.60156	57797.83594	77473.79688	89923.25	37962.44531	99260.14063	78009.14844	80572.85938
Aspartylysine	164806.2031	156020.6094	139062.5313	149748.4688	193900.9063	144729.4531	140381.3438	160634.3906	163641.2344	117009.1641	158907.0469	166513.0156	160615.2656	155167.5938	171511.7656	202054.375	157309.4219	134776.375	139356.1875	134140.5156	142503.4375	145408.4219	126680.1016	181146.1406	221185.7344	216665.8281	246086.0469	213753.4219	192903.1719	209235.6719	206027.875	214970.5625	173874.6406	133236.5156	161181.6719	115571.8438
Asn-Asp	76724.80469	77253.53125	84173.21094	87502.10156	94425.21875	81443.29688	77675.52344	79171.52344	85894.8125	62418.14844	89225.875	97247.60938	105146.4141	105651.0234	98130.33594	124856.0859	101638.7344	116396.3828	89023.625	97143.6875	83785.1875	59594.60156	70628.75	74021.125	116165.7656	102445.6328	119338.8672	100294.7266	72912.98438	96463.82813	112073.3828	140436.0781	107813.5469	74872.42188	73305.23438	78405.17969
PS(15:0)	594287.625	430724.2188	419179.5313	427784.6875	236237.9375	352588.2813	324613.9375	328414.9375	354887.3125	246215.2188	338266.9063	537840.8125	412761.5938	313030.3438	396618.0625	508996.5313	288494.8438	286213.8438	270051.375	355025.2813	350811.2813	338536.3125	199620.2813	243590.3594	464610.2188	404017.5625	455025.5	401332.4688	303399.2813	408887.8438	339540.5938	366760.4375	466159.8438	418279.2813	254943.6094	320182.3125
Ergothioneine	11432160	11451354	5824795.5	7178293.5	6610478	3888174.25	4928892	3579130.25	11232655	4220055.5	5691573	4499487	3846652.5	3827052	8875714	5631989	5083320.5	5429655	2630747.5	2183685	11843315	11282841	2410968.75	1953983.25	9656643	9335994	10002045	12896045	30322608	8908158	13593328	11763160	8400077	4838970	8583608	208640.0469
L-Tryptophan	7286780.5	7794019.5	6558724	7354001	6412969	5062550.5	5912453	5378540.5	6699127.5	6842770	6591553.5	7860655.5	6111388	8403552	10849574	10338600	6983809	6323239	6347904.5	6467436.5	7507288.5	6028412.5	6331730.5	6271227.5	9090836	10435836	9567183	10774988	9712001	7836310	9055318	9178996	5884869.5	8050983.5	6800975	5563347.5
L-Phenylalanine	8483959	8430360	8746449	10062670	9237518	9122141	9457018	9006503	9399547	8956821	9275893	9471732	9466417	12100943	13022069	12676589	10107346	10863690	10344890	9066164	9187399	8378874	8530209	8094772	13196184	13974538	13017400	11989303	14778695	11011017	12848369	14235163	8247553	8509894	9562588	8927246
L-Valine	23769876	26030960	24408220	25320004	17134496	21057072	18241348	18207242	19549898	22935384	21485156	28727014	20971370	26997114	32546726	33537578	22087812	22046012	20280808	22779670	22023890	19141616	22460838	22556236	31059816	33861228	32230704	35078336	28756674	24722116	27555780	27192900	18853168	25247380	19443920	25194528
Arg-Lys-Pro-His	137157.3438	114377.9297	152683.7344	129457.0391	127830.0938	107938.4063	115771.9922	116048.3594	136614.875	134589.6719	151964.2031	136959.8906	113023.9141	109452.0859	99653.11719	110289.7969	93919.57031	112483.6719	136035.4219	108383.6875	103214.0859	102270.5313	100454.1875	105991.2188	151365.0313	181886.2969	160791.7656	142456.7031	177832.3125	149792.2656	103742.8672	135155.5938	95475.00781	108643.6328	98631.39063	140310.8438
D-Erythrose 4-phosphate	77692.42969	65900.99219	71416.89844	86142.90625	70368.53125	126416.3281	85209.40625	89605.05469	106053.3594	122157.9844	148756.2344	148561.7656	15306.4541	15478.28906	49213.03906	53671.77734	15576.94727		41656.48438	49216.19531	44726.23047	35616.53516	64308.40625	47045.26563	58889.76953	78356.15625	77571.82031	81988.08594	159344.625	51134.78516	88483.96875	80713.8125	64269.03125	103946.3125	101649.1406	126302.7813
Pyridoxal	357657.7188	387450.4688	354244.0625	407552.1563	323398.4375	320273.625	384742.5938	311697.3125	405218.25	361804.375	380428	480388.4375	237866	240651.1406	285752.375	297034.0625	250033.9688	242170.7188	255865.6875	301319.4063	286125.2188	183174.5781	264313	237628.3125	343287.0313	355624.4688	350586.1875	470758.6563	684496.125	314580.4688	458369.625	382020.9375	348197.7813	378737.125	309393.25	243421.4531
Citrate	5962468.5	6742446.5	6047394.5	7515231	5399577	5997997.5	6075499.5	6022569	5420393	6699843	5929533.5	8986943	3707991	4563974.5	7135590	6642294.5	4950281	4425928.5	4755720	4617993	5258794.5	4623193	4804867.5	4604359	6779048.5	7032936.5	7552396.5	8859756	8904431	5041434	7151898	7226429.5	4878106.5	6565543.5	5372049	6401940
2,3,5-Trihydroxytoluene	80387.375	78545.69531	74791.59375	92665.20313	53956.94531	60215.62891	50789.21484	47569.14063	81524.20313	68541.64844	67993.72656	74448.74219	38472.24219	46966.87891	73712.46875	66093.84375	44401.53906	43901.97266	55551.25	68696.29688	65978.39844	51450.64844	37184.44141	56493.46094	69421.33594	83281.59375	87555.89063	90812.28125	56835.32031	64565.73828	71697.4375	77205.17188	80447.67188	82370.89844	59238.00391	52795
betaine aldehyde hydrate	28401.6543	68041.92969	27814.26172	30193.70703	64781.30469	134350.9844	75993.78125	67177.3125	48120.46484	56159.02344	32181.72852	84646.77344		34037.17969	28087.26172	57945.23438	41672.60156	22329.08203	46728.16016	52583.21875	20947.98828	67216.04688	35616.48828	26080.27344	29825.00781	56875.13672	78861.34375	69654.875	25423.99023	29695.71094	71884.96875	64890.12109	18740.77734	63710.74609	18235.28125	58998.41406
Trp-Trp-Ser	26875600	33730292	29511210	32680152	5096996.5	7078509	6746655	6030692	17739228	30107866	19783850	33657620	12803267	19009446	36597752	32955318	7830742.5	15617134	13112593	11107427	13012697	12183151	29126476	24861916	25274122	32285560	31879018	35082792	21038228	9602011	21029642	14021830	11761908	40260696	15818685	34657668
S-Adenosyl-L-homocysteine	369629.7813	403499.375	346578.4063	392158.2813	317100.5	363941.7188	404697.7813	405594.5938	382032.25	333616.6563	380276.5625	382152.375	433216.1875	572623.5625	597930.125	631196.625	369317.0313	420086.6563	442149.0625	433932.2813	422409.125	423115.1875	344758.5625	394318.9688	583781.5	610572.5625	664682.1875	645004.125	479176.5	539056.8125	597356.875	668500.125	377004.0938	414156.9063	405679.4688	339665.125
NADP+	694924.125	675163.9375	716035.1875	844861.9375	512441.1875	578276.1875	559499.75	625004.6875	661011.25	714810.0625	723616.75	997880	407449	463008.9375	721432.75	646053.6875	409771.3438	417925.5313	444651.4688	540864.6875	562101.9375	545267.0625	413017.9063	460343.4688	612568.9375	723496.5625	838186.375	985899.75	1622916.75	527384.9375	763821.75	717598.6875	633112.3125	700366	538562	511065.3438
Sulfoacetaldehyde	72182.88281	101163.6719	80482.375	96070.64844	43734.44922	47119.30078	73704.40625	42882.03125	79320.55469	86644.92969	64527.20703	102771.6094	43274.27734	67472.99219	101662.0391	115784.2734	49150.3125	50498.85938	49524.72656	64587.51172	64133.82031	47006.15625	74668.4375	80559.13281	93156.60156	105025.6172	102903.6875	128222.0703	52010.29688	50016.69531	57672.40234	63840.04297	50803.13281	92943.17969	61694.66016	102232.5234
3-Phospho-D-glycerate	1345809.75	1332614.875	1250429.125	1635965	982907.5	1028744.125	1017245.438	1049798.75	1624146.5	1331899.375	1681815.5	1931300.5	431208.0625	450598.2188	1080767.5	916528.25	464289.7188	441727.3125	585663	710463.375	695058.875	742963.9375	557024.4375	639162.3125	804366.6875	922770.8125	1111253.5	1421261.125	2055545.625	634326.75	1039948.25	908205	1126082	1287733.375	1230278	1032644.188
4-Hydroxyphenylacetylglycine	264880.625	306359.4063	318115.3438	402587.4375	293327.75	294343.6563	235625.5781	241040.3438	316909.9375	298864.0625	337049.5625	363445.4063	249503.8438	244084.875	267221.375	380736.5313	271025.8438	182422.1875	239739.5	353670.1563	206146.7969	250809.1406	192024.3438	278228.1875	310994.8438	301806.0313	381050.375	507056.2188	809372.5	264307.0938	333517.0938	305413.8125	281311.6563	288070.4688	292115.0938	253201.1719
Convicine	210208	200207.3438	161600.0156	219689.7656	149294.0938	124970.4375	138624.0156	134534.25	196330.3125	149625.75	170313.5	199169.0625	90274.375	108486.0391	187055.3438	158294.3438	127587.9375	115191.6875	114190.75	148194.0156	142068.1719	125368.5234	90727.64844	100041.8438	162272.7813	160676.4688	202962.8125	215899.1719	244789.9063	127602.4297	151999.9375	164861.8125	153905.8906	178574.1094	157628.7656	108476.2188
L-Arginine	34907060	35401036	29441996	43161992	20128056	20204758	17979292	17165872	24995678	29928556	28980848	42096608	17512482	22360506	33446220	40873608	19493292	18811244	23624618	25235200	27784660	20699788	24431492	26920418	37068540	40732436	40516488	43371160	37696844	24213560	28975694	29882242	20969060	34830216	21883904	35190992
L-Threonine	11492994	15412708	13383531	13579411	9300476	8996326	9968821	9542161	10289542	12281243	10761175	15854302	8522152	11745332	14417214	16016117	10334996	9029938	9528809	10678055	10870875	8500952	10701149	10108031	13709434	17151380	16999196	17238804	16332005	9327505	12841289	14226648	10039559	15299416	10658188	14227510
(S)-Dihydroorotate	22388.42188	22361.36914	16652.73828	17475.24414	23783.75781	18890.02539	24642.25977	19685.875	23675.2168	24413.64453	24887.26563	32039.06445	1732542.75	2403039.5	2576687	2748715.25	24959.12109	21295.12891	32072.00195	25197.98242	13169.22949	24995.83789	17329.86719	24500.37305	31086.45703	41568.07031	28699.34961	29682.56055	19862.85547	27943.70898	27288.55273	29364.94922	21896.92188	25302.90625	24513.98242	26906.53125
PG(34:1)	471446.2188	458661.2188	455072.25	477905.9688	422384.7188	478055.7188	431090	474707.375	448745.375	371529.7813	531589.1875	440822.9688	523654.0313	619300.0625	674455	661620	624112.625	731618.125	712610	762827.6875	311970.7813	505540.0938	470300.6875	478184.9063	649264.0625	761614.4375	777076.8125	715461.375	597761.0625	678005.9375	798325.3125	724119.75	415075.1875	442783.625	484749.9688	355698.6563
beta-Citryl-L-glutamic acid	122456.5938	153185.0469	130596.3828	129779.3594	66994.86719	89425.26563	101226.875	76046.875	111208.4766	117511.6094	124364.5469	143392.2188	36023.4375	45851.8125	102436.4219	85304.04688	69580.58594	43647.64063	62544.57422	86300.90625	72817.5	61673.41406	55653.26172	66906.69531	86157.53906	102224.8984	119235.6953	115168.0625	244766.6719	86926.875	87088.46094	116301.4141	97618.82031	96392.74219	91315.59375	86420.71875
2-C-Methyl-D-erythritol 4-phosphate	2140619.25	2683965.75	1930218.375	3122495	914884.125	1024833.938	953809.125	839955.5625	1345637.25	2864474.5	1756888.125	3428496.5	434123.6563	1181919	1917364.75	2172703.75	1170915.375	833752	633293.875	1083974	1718702.75	781146.1875	1731744.625	1667433.375	2185225.75	2623492	2247789.5	2668251.5	3642257	890355.4375	1219575.875	1023713.813	1287140.625	2952430.5	1332710.125	2528262
GDP-L-fucose	62151.17969	70466.83594	59779.86328	76030.3125	48939.05078	49334.69922	63044.05859	48678.48828	69057.39063	73188.96094	71953.4375	76804.96875	33578.86719	35154.9375	62483.71094	56460.35156	35164.35547	42763.6875	36595.47656	56251.55078	44991.83984	58013.71484	41172.93359	36899.80859	59766.54688	73647.14063	78575.82031	88672.86719	126341.9375	54370.92188	66755.8125	72104.00781	53878.35938	68895.85156	55195.71094	41845.79297
Nicotinamide	7441826	10077053	7043352.5	12346133	5905914.5	8597356	8777504	7754354	6231747.5	8472180	10709125	14906597	3043590.25	5470482	9890121	11923780	5285385.5	4476922.5	4497746.5	4272645.5	5747877.5	3606313	7583820	8706364	7859360	12079180	12058518	10926152	9106675	5719874.5	7627606.5	6902012	5027914.5	10620573	6990975	15101370
Thiourocanic acid	35828.92578	42706.19922	17170.89258	19560.41602	26248.0293	9414.982422	18187.85156	10312.73828	38859.80078		27226.40625		21123.82031	12104.18066	33576.03516	19833.51172	31474.66211	23880.89258			50869.24219	47427.05859			46394.08203	22000.28711	33871.20313	63016.72266	112685.3438	48052.97656	50809.41797	44568.78125	42960.05859		38687.00391	
Succinyladenosine	177373.3281	259893.9219	228985.7656	256522.2344	127438.5234	143326.6094	120575.7969	123683.3281	165543.6563	176674.2188	183458.6875	257656.0781	63466.51172	121937.6328	207740.3594	221547.3594	141418.5	114508.8203	97623.78125	125987.3594	131354.4063	119574.8828	143265.1563	149010.8281	177027.3594	229332.2031	259221.6094	274269.3125	190422.3438	134872.3281	155579.7031	144888.9688	130675.0313	256226.375	185157.4844	191054.5781
psicoselysine	85674.34375	66277.48438	71802.20313	80780.35156	57782.98828	59221.46094	69924.71875	77954.6875	53852.61719	70484.1875	96189.60938	98688.82031	66026.21875	74794.25	100187.0938	137194.3594	77858.24219	70337.30469	77488.35938	87770.625	60200.91797	65743.53125	54734.70313	69908.625	118151.3125	97970.88281	97956.80469	122973.8828	115560.5391	97201.99219	114639.1094	112961.5859	63696.09375	60822.67188	62129.15234	71935.04688
Acetyl phosphate	56201.375	59615.20313	53036.95703	78174.97656	39894.93359	45232.66406	47666.26172	48285.07422	60063.85938	58863.98438	58365.08203	79620.35156	62990.73438	84906.44531	94405.52344	99461.42969	70692.23438	82414.35938	72933.0625	80156.24219	66651.89844	71416.57813	54759.24609	65023.01953	110054.5313	124126.1719	101152.2891	120226.6328	99313.55469	103543.9375	122167.4375	111582.4609	56581.76953	79366.28125	54552.37109	37369.16406
D-Sedoheptulose 7-phosphate	1157316.75	1205479.25	1145783.875	1174827.375	1011774	823588	970836.9375	987663.1875	776032.125	885063.3125	695332.125	824229	2268592.25	2945431.5	2934217.75	3115002	2292328	2398510.75	2487772.25	2375437.25	1859680.125	1909595.625	1565529.125	1976425.75	3234165	3312530.25	3303437.25	3110556.25	2533237.5	3017744	3077935.25	3214011	804373.125	1093989.875	779337.875	620097.1875
4-Amino-4-deoxychorismate	196693.5	215644.5313	253787.8125	254761.9063	111765.8438	117598.1484	137756.6563	134887.875	205992.2188	169749.9844	238163.5938	210941.2813	98532.10938	143719.2031	214423.4531	230111.2969	130027.9922	125595.8359	159036.0313	194708.2188	115647.1016	146674.5781	119869.0938	140754.8125	180146.2969	216954.8906	257342.4531	286178.6563	170782.5625	188307.6094	257329.9531	239823.4688	173033.1094	200036.3281	181364.6563	135264.8594
GDP-mannose	165771.7813	175327.1406	153734.5938	191464.3281	132845.5781	121938.0313	155983.0313	121704.7969	172249.25	164417.5625	175507.0313	210976.0781	96429.38281	83401.78906	187853.0313	167087.5	91863.75	95594.96094	123935.6875	135958.0469	120633.5781	126556.7656	108368.5703	89773.85156	153913.8281	195197.1406	192779.0156	265446.0938	324579.2188	131207.6094	194901.5625	193901.4688	141110.3125	156446.0938	143414.6875	105481.1875
(S)-1-Pyrroline-5-carboxylate	82127.49219	105271.6875	107324.0547	115242.8984	56119.65234	64815.52734	65566.82031	57947.38672	79661.01563	106321.625	93427.3125	126789.3828	42925.48828	47794.71094	107441.2422	129392.5703	49917.42969	54110.71094	61151.14453	62083.15625	64405.98828	69833.25781	56614.17969	62855.52734	73206.55469	115107.8125	118917.3047	159042.5781	149206.7969	79755.86719	87887.42188	105356.7891	84271.1875	107845.4766	70766.57031	74750.82031
L-Lysine	4491829.5	5492119	4304874.5	5580690.5	2666667.75	2777446.5	2760501	2903112.5	3544448.25	5076238	4277974.5	6770935	3277965.75	4292380	6566584.5	7265494	4210748.5	4311054.5	4342651	4623174.5	3635072	2973938.75	3416930	3550345	5783519	6088452.5	6136897	7249796.5	5690572	3987774.75	4928841	5102604.5	3198018.5	5013446.5	3220433.25	5108375.5
4-Hydroxy-4-methylglutamate	86174.6875	85802.57813	67191.20313	98945	49215.04297	54803.74219	52916.39063	58404.12109	78610.20313	76839.57031	88365.40625	79677.92188	58952.01953	61643.92188	91876.02344	103479.5703	64510.56641	72788.8125	62326.23047	75440.6875	61600.27734	62030.00781	53980.29297	62412.59766	90115.92969	97683.0625	124558.3438	138573.8594	82574.125	70908.85938	115456.5625	106722.7109	60395.48438	88351.53906	69974.92188	60456.45703
L-Tyrosine	34291520	34334128	31162054	38153652	19467148	19002366	20318214	20395628	32646298	36028956	36582788	40259804	16019380	21035284	33461644	32069618	20080566	21379136	22794360	28378150	23598262	20543754	21203614	20566716	35634452	39850172	42534928	44616732	27377658	29475942	37800452	35541948	24431016	37925288	23867388	32529614
2-Amino-9,10-epoxy-8-oxodecanoic acid	152940.2656	191866.9844	136075.1406	167414.2656	72574.47656	94759.74219	89891.0625	70885.17188	155209.8125	133552.6719	198491.8594	172840.3906	48146.66016	47134.99609	153942.4531	154569.0313	82571.05469	69007.38281	121880.0234	149833.2188	113533.9609	91984.92188	57171.41016	66234.92969	150999.3438	165983.0313	153939.75	155616.1094	95147.3125	144687.8906	144506.2344	159412.8281	134110.6563	155624.2969	143362.8281	138997.0781
ADP	3656064	3730809.25	3481274.5	4189513	2879844.5	2825820.75	2826820	2778935	3766499	3202133.5	3919972.5	4542065.5	2155377	2101725	3397556.75	3083586.25	2412080	2291134.75	2547851	2714432	2578303.75	2073515.875	2055878.875	2081013.75	3832386.5	3895469.75	4550530	5050402	9834534	2897503.75	5177879.5	4147525.75	3019011.5	3516281.75	3129844	2421692
N-Acetyl-D-glucosamine 1,6-bisphosphate	35170	38645	37632	50941	25241	24734	35486	27177	45338	41327	42104	56432	15821	14678	33236	34365	18244	15779	19945.32813	31823.40625	19668.97461	26982.33008	19694.61133	18779.16602	29281.4375	34273.67578	46923.58984	58151.72656	101764.9688	20852.01953	44913.93359	37933.05469	30753.9375	36701.01953	37385.08984	28497.25586
Corydaline	15690039	17696886	14061131	20058008	5608019	5998241	5842327	4930400.5	10485454	17266342	11152675	21111798	4808269	8850737	18818780	19728206	6763895	6898996.5	6440104.5	9172886	14487769	6425940.5	12186120	9582026	19323098	20821994	18980894	25840386	23805450	11643241	15066814	12528751	8388570	21479542	7701165	14734359
UDP-glucuronate	73645.71094	78845.65625	58761.05859	77962.96094	43177.07813	46688.71484	49187.64453	45745.81641	80215.64844	72151.76563	68556.21094	91863.16406	20245.10742	25683.67383	57819.45703	47460.38281	28021.22461	22513.14063	29006.16016	40937.45703	38846.72266	38250.33203	31830.03516	26029.9707	58814.78516	55696.83203	70306.67969	93930.75781	146045.4531	42529.03516	62519.64063	63233.73438	52755.71484	62008.85938	47380.3125	46493.68359
Succinate	213354.5469	221769.1563	209569.7813	200777.6875	211503.4844	213433.4063	208174.8906	182514.4063	243526.6719	196678.7188	230831.25	248993.1094	202383.9063	250386.5156	256370.6719	286162.1563	230291.9688	232620.0313	287650.5313	254440.1406	173181.0625	143335.8438	147311.5625	165095.0938	325478.7188	338727.4063	320970.5938	325700.5313	297727.2813	312419.75	332726.5313	354859.0625	214215.9688	215260.0781	230415.2969	203107.3906
Glu-Thr	410546.9688	513358.5625	459527.2813	476142.4375	447344.0313	316342.125	363123.0625	452153.8125	504233.375	446348	365146.1875	498169.9688	555075.5	641176.1875	803045.9375	751877.75	467646.3438	390544.8125	420200.7813	489604.3125	419445.7188	388004.5313	345133.875	326060.8125	772403.5	808791.6875	805383.6875	711184.5625	632538.625	702691.625	674096.75	667217.9375	457693.0938	494799.9688	379233.5	365585.7813
6-Phospho-D-gluconate	145872	149997	137471	191471	86404	103996	108667	107886	170591	158431	170504	212203	53834	51795	126450	143097	67565	51149	69772.25781	104722.4375	90868.39063	88371.39844	71023.0625	72485.36719	121148.4141	150726.0313	182453.3438	228007.1875	420374.5938	104549.5078	164605.75	144475.4688	107407.0781	150399.9375	120958.75	111775.6094
Sanguinarine	123176	145187	121625	150714	66346	73443	83210	92037	133378	88782	130403	121641	53712	70555	151473	134921	83087	62321	78401.45313	112180.5	59525.98438	70955.47656	58526.86328	90192.07031	127114.8516	146320.8125	134111.7344	183210.7813	71442.21094	112350.6484	132953.6875	131883.9063	58003.51953	112037.0859	85492.88281	94211.46875
ATP	1805600	1922924	1839026	2334350	1458086	1981824	1991321	1700697	2519867	2112744	2684915	3104766	1055453	919362	1731195	1580138	1100298	850099	1193206.875	1279695.625	1375462.125	1203624.5	1107570.75	1039784.25	1911242.875	2121615.5	2740232	3282608	12404909	1633126.625	3759549.75	2291263.5	1686394.375	1879040.625	1700466.625	1537839.125
L-beta-aspartyl-L-threonine	74164	62645	70557	73737	57053	49748	57273	64307	71544	63509	83563	77239	93068	96386	97172	126424	61248	49234	53814.39063	51006.67578	51039.58203	57522.07031	33679.38281	51972.89063	106504.4219	107476.5	90514.9375	111467.5625	108331.5	82243.375	110884.3594	113478.7813	68213.0625	73251.32031	77895.66406	59024.84766
N-Carbamoyl-L-aspartate	123095	131950	118291	128131	97677	109368	112661	97823	139479	103132	138375	139353	11750457	13607024	18526618	19455024	95745	90242	76313.96875	131228.0781	86993.79688	78463.4375	61653.0625	88207.96875	138895.8906	166806.2656	180643.2813	191916.3906	170663.7969	128263.3594	169710.9688	177916.9844	106706.7422	108093.9063	116032.5625	87800.07031
D-Fructose 1,6-bisphosphate	114193	132804	146153	174923	96553	110092	108155	90470	130931	151488	164194	203900	43221	45959	130120	78887	59427	54116	74134.73438	90220.98438	65830.10156	78392.67969	64760.98438	62087.38672	72696.64844	100741.5469	180698.0469	233821.8906	596096.125	86043.75	163819.875	133739.2031	90905.52344	121650.3672	126576.7969	103850.3203
alpha-D-Glucosamine 1-phosphate	106751	105640	99505	117781	110873	115170	100469	105230	129832	108040	113892	118867	69580	70807	87268	90683	78187	71632	64469.23047	64943.60156	43485.46484	39115.49609	29770.57031	47058.70703	86455.77344	99129.67969	92788.51563	108955.4609	72733.78906	99493.90625	84226.04688	98470.42969	107400.3906	100482.1016	128712.4922	93417.75
Orotate	172112	214121	181724	273696	184771	146936	160193	149306	180429	227444	191178	243186	42880	67359	77650	89953	147405	135742	144918.1406	170355.1719	87066.35156	73220.55469	86160.27344	109872.7734	175417.4219	221419.5469	202299.5469	268909.7813	193330.5625	145660.0469	198828.1406	166951.875	187924.7344	268008.1563	221928.9219	227691.6875
Urate	173689	176366	137077	158146	73243	55090	59192	56398	184460	100974	110252	126922	38431	41022	122228	104184	51963	47466	36161.04688	46112.76172	118641.3906	122003.8594	34872.74219	23507.79688	137894.5	153466.5156	159160.2813	301701	938084.3125	113338.3984	233512.0781	189867.2031	118469.7188	139268.2031	147155.1406	
S-Sulfo-L-cysteine	30987	89534	34192	46590	16557	18232	19131	16993	15109	38951	94959	91778	23584	12305	38801	56479	13416	6278	12545.59668	14009.19238	18969.38477	10591.71094	26360.06445	16238.38379	34740.39063	46476.73438	40064.94531	62728.74609	48552.75	51808.23828	41815.98828	22913.42969	13863.07324	48639.76172	13959.20703	55550.73828
[PS(20:4)] 1-(5Z,8Z,11Z,14Z-eicosatetraenoyl)-sn-glycero-3-phosphoserine	109948	125212	134524	128248	136983	163683	162035	159500	128136	125459	147824	141827	56259	57903	113648	98123	59689	80511	67149.35156	80872.23438	37023.4375	40582.96484	54784.73047	53534.24219	79332.84375	120189.0938	143281.3906	132230.2188	111135.0078	90373.39063	102451.1953	126618.0938	128116.3438	177919.3438	170091.9219	131679.6406
N-Succinyl-L-glutamate	75135	51180	43130	56230	55308	42481	46342	48719	67493	48182	56614	54424	33965	50759	61353	67135	72418	82207	75166.71875	76299.70313	63108.36328	49729.25781	43527.14844	51487.48047	122594.4375	128105.8906	149452.0938	142704.3906	116357.5781	109331.1328	139053.7344	151825.8594	44624.68359	49827.42188	50183.26172	45296.26563
Asp-Thr-Cys-Cys	73558	87368	89011	106130	68422	77430	81165	89013	90524	105828	113120	131172	74209	82147	160230	150906	62546	82094	88207.88281	111724.1172	56039.72656	47707.44531	58643.06641	76378.65625	125819.5547	140894.3125	186456.4688	179045.2656	184861.125	116382.9531	143194.0938	130198.2109	84520.05469	117104.4375	80090.35938	97012.5625
UMP	125065	145159	110631	99220	91498	92326	105526	87203	99564	101458	92508	126436	45373	50433	42741	55108	314037	330383	329285.5313	296487.0313	51219.81641	43671.95313	79534.03906	48268.71875	150657.9063	177636.2344	130304.75	155118.2813	153791.8906	135420.5469	141556.5469	156548.9219	85609.22656	108901.0469	90720.10156	99197.84375
4-Aminobutanoate	2164071	2404348	1921970	1912971	1812906	1802173	1696289	1760971	2356907	1869644	1908719	2330219	5673245	6724668	8195534	8309508	1078733	1187158	1183303.375	991237	894363.6875	895244.5625	805887.625	815221.8125	2563156.25	2317182.75	2372196.25	2336431.5	2047875.25	2231760.75	2363285	2644629	1877899.25	2042087.625	2272032.5	2218288.25
Ala-Leu-Trp-Arg	45709	40376	32495	56065	11708	4480	9640	9823	24687	45330	23294	60154	8831	15908	43256	45970	12673	9127	16686.24414	15867.34082	29837.8418	13716.68945	15840.62109	19251.14258	57872.92578	44691.71094	52781.89453	74685.78906	63425.01172	20036.08008	28851.90039	31093.71875	14901.6875	38221.99609	14061.70801	41008.01172
Thymine	44862	43043	35594	51061	33479	101029	50247	66811	45878	88359	61162	67994			31455		34584	67955	25260.55859	46408.6875		38869.11328	24194.04688	31026.2832	69890.53125	128068.875	38957.85938	66438.48438	116768.8125	34274.85156	70671.40625	83223.91406	73921.45313	101739.1094	89292.29688	54241.96094
Glu-Cys-Cys	108393	160343	96385	184374			32082		37435	147886	60817	203010		58004	186990	171661	28213			34308.83203	68087.6875	26294.6582	53974.23047	79304.07031	128860.0078	235686.5156	200422.5625	204906.0938	113349.5703	33931.65625	90097.84375	40880.10547		176944.3438	32746.80469	137283.0938
L-beta-aspartyl-L-glutamicacid	161555	233132	143869	169136	166581	176000	158235	181777	162205	169548	159144	192825	272412	372880	479362	486642	232015	198437	219672.4375	231819.5625	151672.625	135676.2813	109001.375	116421.6875	453978.4375	437297.7188	412689.75	470053.3438	325445.4688	370504.7188	377528.8438	395786.3438	180752.2813	207668.4688	166931.9688	158938.6406
(-)-Argemonine	32427	68189	50797	82684						87292		100340		29326	69147	70030					30093.77734		70321.74219	28576.16992	74802.5625	112729.7891	98776.42969	163566.3906	75247.94531		35601.33203			68600.28906		76977.41406
D-4'-Phosphopantothenate	87668	108795	69041	100281	69666	60581	62492	76422	81440	64727	78849	95701	111426	138189	164704	182873	163542	129583	124550.3203	151313.1563	60740.59375	59303.75391	61097.69922	57853.54688	203920.6563	200490.8906	188920.7188	253339.5625	178001.4063	158159.8906	191583.4531	187696.375	70917.25	71873.84375	72265.02344	75971.09375
PS(18:2(9Z,12Z)/0:0)	145628	134312	171265	151541	189642	193596	202075	176338	185591	149525	160154	156027	65190	62911	91993	69392	89950	87609	87806.08594	68257.86719	21720.53125	30209.67773	22302.55078	29977.02539	105938.8281	121774.8203	102487.2813	112088.8281	125831.3203	94823.70313	98937.96875	112722.4766	193185.3281	178433.0469	204829.4844	153498.9531
Asp-Cys-Cys-Ser	2940841	3816335	3356413	6262684	536774	914910	837745	987701	1493764	3868058	2495319	7900721	343629	802812	5572545	5829537	705978	520193	792457.6875	1778716.75	1203886.375	555488.125	1298940.625	1480765.75	2918362.5	5792045.5	6106671	8371667	7307274.5	1182358.5	2874635	2522094	714163.125	5491336	988665.5625	4148104.75
dihydrothymidine	114106	94279	80834	86644	125764	176855	187584	157877	88728	88717	104527		342752	417723	604860	521002	466954	665848	511486.6563	559841.75	84821.375	72945.55469	82758.65625	64145.37109	486606.0625	463612.8438	415779.0625	416776.8125	386931.4688	458752.375	386398.1563	519742.0313	168964.6094	95822.8125	69723.67188	56444.08984
1,2-Dihydroxy-5-(methylthio)pent-1-en-3-one	108341	128238	217980	134941	116598	69135	71457	99886	109331	119840	147504	124744	40093	131406	155186	170477	163202	194839	140748.25	149435.6094	59011.34766	72641.67969	63230.9375	73417.66406	334521.25	462996.5938	383874.9375	421973.8125	711941.9375	312592.625	364375.5	406342.6875	49369.91406	128913.5391	103077.4922	133370.9688
S-Methyl-5-thio-D-ribose 1-phosphate	70338	63779	71691	81849	37129	38523	56155	56271	77983	93680	83252	74699	47634	65102	114384	117254	96650	90683	113367.8828	195785.8438	47703.58203	58297.19922	33236.61719	39874.52344	274218.9688	313517.9063	317388.375	321100.5	260090.6875	287018.6875	331013	355320.0625	54801.72656	62277.12891	57250.62109	54548.00391
L-Pipecolate	2840245	3455768	3572819	3392957	2878599	3582904	3417847	3084044	3567799	3473130	3105574	3775205	14390175	19184740	21693002	21932230	6015344	6853473	7922564.5	7364318.5	1857547.875	1557819.625	1715502.25	1738651.75	14963239	18087852	16930552	17159402	13483483	14175053	14747081	15464353	3413201.5	4448959.5	3779427.5	3589421.75
Thr-Pro	30955	40545	44794	31030	32020	65573	29022	35321	46489	34495	40783	59620	309975	392900	335542	432799	295003	278809	293916.5938	240493.6406	35394.06641	41157.26563	30233.70508	25718.63672	357273.3438	343274.9375	319731	279403.7813	219547.2656	277020.3125	264745.25	289058.8438	48703.58594	68739.72656	37513.23438	57267.37891
Ala-Pro	25530	24859	28824	36335	36871	21862	31466	28440	28771	27180	23439	29040	366093	451992	425369	436772	537192	532722	472103.6875	449342.625	30289.06836	20486.9082	25194.92773	17300.70703	511736.5938	518430	472640.0313	516504.25	358873.3438	417698.2188	501566.1875	514375.5625	29873.4375	26617.35156	32228.14453	31241.62695
Aspartyl-L-proline	153235	158787	177801	155869	181448	155763	161386	156744	209789	153444	160417	213152	2317952	2784449	3033288	3520400	1061779	1265172	1084620.75	1241033	64856.28516	74747.63281	55698.57031	46629.3125	2353899.5	2487195.25	2328112.75	2328498.75	1791941.25	2340510.75	2442033.75	2466710.5	193507.3438	214346.8594	197092.7344	133496.4375
Asn-Gly-Pro-Pro													127281	165544	215572	217220									247935.6875	272847.0625	245690.5469	258607.9844	176976.2188	222034.375	236030.8281	225085.0156				
Ala-Glu-Glu-His													180715	209460	323621	371804	21431	25004	35505.38281	69238.86719					416671.9063	458602.1875	463443.7188	468709.125	478325.0313	380242.8125	466383.625	453334.4688				
Glu-Glu-Pro													63073	60938	94563	98075	66297	67102	80200.75	72179.25					133370.2656	128171.1094	137797.6875	117141.4844	123471.2109	101046.2891	115661.1797	128624.1719				
Ala-Lys-Lys-Asp													154574	179854	242221	223583									317581.875	329349.1875	340117.7813	398770.0625	202335.375	292498.2188	331656.6875	349476.625				
Lys-Pro													113740	164404	217613	212960	181214	129119	120686.0078	171859.875					157745.2813	121808.8125	140679.0938	139839.1719	128660.0156	133526.1875	168040.8125	167542.0469				
Asn-Leu-Pro-Pro													114867	113720	158338	155228									173386.4063	235300.9688	188807.2656	209575.0469	106885.4531	178756	202956.9219	197815.9844				
Ala-Gly-Ser														10770	14663	24801	87642	119854	90535.89844	77595.72656					28595.01953	29032.05078	20173.66016	18000.16992	12443.48145	30426.54688	15038.42285	36387.54688				
[PS(18:1)] 1-(9Z-octadecenoyl)-sn-glycero-3-phosphoserine	320881	341711	336273	352571	585503	570209	447242	514398	491660	234255	409471	357936				158444	180170	183084	170789.3281	163000.375					179008.2188	191209.3281	199341.8281	311926.8438	408316.0938	195877	285530.4063	240118.8125	461812.4063	393245.7188	594831.625	410684.3125
Glycylproline							16232						21508	20568		23298	297777	421047	382711.6563	343368.75					19211.82617	20788.11523	25193.08789									
N-Acetylmethionine															104561		299201	207485	343135.1563	423723.0313						60297.09766		159169.6719	128129.1563		128430.6484	152549.2656				
Thr-Thr-Ser													115305	93678	99310	103470																				
Ser-Ser-Ser													154121	181324	195490	196184																				
Pro-Ser		20924		25637	26575		18099										209191	255857	242004.3281	198961.1406										20299.31836			24205.9082	29438.00195		
Ala-Gly-Pro																	258377	255426	276590.3438	288776.7813																
Thr-Ser																	118997	122983	105229.1016	121138.7344																
Ser-Ser																	81068	89901	103130.8594	111023.6641																
N2-Succinyl-L-arginine																	108338	105441	120492.2109	102167.4922																
MS_METABOLITE_DATA_END
#METABOLITES
METABOLITES_START
metabolite_name	Retention Time (mins)	Mass	Formula	Metabolite identification
Choline phosphate	14.98615692	183.0661207	C5H14NO4P	Level 1
Nicotinate	7.815080029	123.0320152	C6H5NO2	Level 1
CMP	16.19968454	323.0522245	C9H14N3O8P	Level 2
Hercynine	12.28139899	197.1165611	C9H15N3O2	Level 2
FA methyl(18:0)	3.900074582	298.2868297	C19H38O2	Level 2
PC(36:3)	4.550652811	783.5776068	C44H82NO8P	Level 2
[SP (16:0)] N-(hexadecanoyl)-sphing-4-enine	3.920253288	537.5125835	C34H67NO3	Level 2
FA dimethyl(16:0)	3.917676833	284.2713938	C18H36O2	Level 2
Cer(d40:2)	3.895800706	619.5908072	C40H77NO3	Level 2
Linoelaidylcarnitine	4.636274404	423.3351406	C25H45NO4	Level 2
Clavulanic acid	7.81019204	199.0480946	C8H9NO5	Level 2
PE(30:4)	7.81605845	655.4210302	C35H62NO8P	Level 2
Monomethyl sulfate	7.934658336	111.9829635	CH4O4S	Level 2
PE(31:4)	7.911527841	669.4358618	C36H64NO8P	Level 2
[SP (24:0)] N-(15Z-tetracosenoyl)-sphing-4-enine	3.917572708	647.6214076	C42H81NO3	Level 2
Heptadecanoylcarnitine	4.653018987	413.3506161	C24H47NO4	Level 2
Psychosine	4.689923239	461.33459	C24H47NO7	Level 2
[SP (24:0)] N-(tetracosanoyl)-sphing-4-enine-1-phosphocholine	4.314100821	814.6921693	C47H95N2O6P	Level 2
Oleoylcarnitine	4.603732157	425.3507272	C25H47NO4	Level 2
[FA trimethyl(13:0)] 4,8,12-trimethyl-tridecanoic acid	3.966679268	256.2401759	C16H32O2	Level 2
D-Ribose	11.6257392	150.0529189	C5H10O5	Level 2
SM(d18:1/22:0)	4.277118084	786.6624896	C45H91N2O6P	Level 2
2-amino-3,7-dideoxy-D-threo-hept-6-ulosonate	12.67180107	191.0795176	C7H13NO5	Level 2
Ala-Met-Asp-Tyr	9.518605607	498.1786328	C21H30N4O8S	Level 2
trans-Hexadec-2-enoylcarnitine	4.758780273	397.3194224	C23H43NO4	Level 2
N-stearoyl tyrosine	4.578582148	447.3352776	C27H45NO4	Level 2
Stearoylcarnitine	4.576022984	427.3665162	C25H49NO4	Level 2
PC(34:2)	4.087649522	757.5627962	C42H80NO8P	Level 2
PI(34:0)	7.190010071	838.5576744	C43H83O13P	Level 2
FA oxo(8:0) oxo-octanoic acid	4.796859735	158.0943004	C8H14O3	Level 2
PI(34:1)	7.161274877	836.5425384	C43H81O13P	Level 2
PS(42:9)	7.198484544	857.519248	C48H76NO10P	Level 2
4a-Hydroxytetrahydrobiopterin	14.09022724	257.1121669	C9H15N5O4	Level 2
(24R,24'R)-Fucosterol epoxide	3.962230536	428.3660277	C29H48O2	Level 2
alpha-N-Phenylacetyl-L-glutamine	7.803482872	264.1106801	C13H16N2O4	Level 2
Glycerone phosphate	15.14956525	169.998111	C3H7O6P	Level 1
Met-Cys-Cys	17.78540148	355.0687694	C11H21N3O4S3	Level 2
Docosanoic acid	3.846007321	340.3335624	C22H44O2	Level 2
SM(d18:2/24:0)	4.210538014	812.6779928	C47H93N2O6P	Level 2
Dodecanedioic acid	4.790011144	230.1516138	C12H22O4	Level 2
Dodecanoic acid	4.126821747	200.1776473	C12H24O2	Level 2
PI(32:0)	7.237434767	810.5252137	C41H79O13P	Level 2
S-Adenosyl-L-methionine	16.2865686	398.137575	C15H22N6O5S	Level 1
[SP (16:0)] N-(hexadecanoyl)-sphing-4-enine-1-phosphocholine	4.377601391	702.5679735	C39H79N2O6P	Level 2
Asp-Lys-Lys-Tyr	28.79640652	552.2917105	C25H40N6O8	Level 2
SM(d34:2)	4.344078386	700.5524435	C39H77N2O6P	Level 2
SM(d18:1/22:1(13Z))	4.252901242	784.6472599	C45H89N2O6P	Level 2
FA methyl(14:0)	4.003019916	242.2246284	C15H30O2	Level 2
2-Oxoglutaramate	10.30785575	145.0375857	C5H7NO4	Level 2
SM(d18:1/18:0)	4.319236206	730.5994331	C41H83N2O6P	Level 2
6-Acetyl-D-glucose	14.08181833	222.0741209	C8H14O7	Level 2
5,8,13,13a-Tetrahydrocolumbamine	10.38666849	341.162035	C20H23NO4	Level 2
Fagomine	12.09026245	147.0895163	C6H13NO3	Level 2
PE(P-40:4)	3.933857749	779.5835827	C45H82NO7P	Level 2
5-Hydroxytryptophan	10.78573613	220.0849857	C11H12N2O3	Level 2
3-Dehydrocarnitine	12.61735613	159.0896011	C7H13NO3	Level 2
O-Palmitoyl-R-carnitine	7.792784749	399.3351841	C23H45NO4	Level 2
N2-Acetyl-L-aminoadipate	12.23148266	203.0795367	C8H13NO5	Level 2
Indoleacrylicacid	8.774049557	187.0633098	C11H9NO2	Level 2
Capryloylglycine	11.81038962	201.1366497	C10H19NO3	Level 2
L-Citrulline	15.83169084	175.095753	C6H13N3O3	Level 1
N4-(Acetyl-beta-D-glucosaminyl)asparagine	15.8670784	335.1332808	C12H21N3O8	Level 2
SM(d18:1/14:0)	4.393703772	674.5367333	C37H75N2O6P	Level 2
2,3,4,5-Tetrahydrodipicolinate	7.810128181	171.0531912	C7H9NO4	Level 2
3-beta-D-Galactosyl-sn-glycerol	13.69793213	254.1001642	C9H18O8	Level 2
[FA (18:1)] 9R,10S-epoxy-12Z-octadecenoic acid	4.036722763	296.2347279	C18H32O3	Level 2
Ile-Ala	12.75569416	202.1318854	C9H18N2O3	Level 2
PE(P-36:5)	6.503022523	721.5036431	C41H72NO7P	Level 2
SM(d18:2/22:1)	4.230854937	782.6286226	C45H87N2O6P	Level 2
Cys-Gly-Pro	10.52363618	275.0940543	C10H17N3O4S	Level 2
N-dimethylethanolamine	16.55504757	89.08407765	C4H11NO	Level 2
PE(P-34:1)	4.026542015	701.5366143	C39H76NO7P	Level 2
5'-Methylthioadenosine	7.8306817	297.0895892	C11H15N5O3S	Level 2
LysoPC(18:0)	4.658025808	523.3641591	C26H54NO7P	Level 2
9-Oxononanoic acid	4.768295518	172.1099833	C9H16O3	Level 2
PC(32:0)	4.106277695	733.5624455	C40H80NO8P	Level 2
PS(52:0)	3.667507988	1027.782031	C58H110NO11P	Level 2
N6-Acetyl-N6-hydroxy-L-lysine	17.80276286	204.1111338	C8H16N2O4	Level 2
SM(d16:1/22:1)	4.263504935	756.6153306	C43H85N2O6P	Level 2
LysoPC(O-18:2)	4.714113377	509.3850576	C26H56NO6P	Level 2
2-phthalimidoglutarate	8.994700028	277.0583503	C13H11NO6	Level 2
N,N-Dihydroxy-L-tyrosine	12.54153803	213.0638965	C9H11NO5	Level 2
D-Glucono-1,5-lactone	11.79008702	178.0477753	C6H10O6	Level 2
Asn-Cys-Cys	14.48415374	338.0715125	C10H18N4O5S2	Level 2
O-Acetylcarnitine	11.02476607	203.1159186	C9H17NO4	Level 2
SM(d18:2/24:1)	4.237434993	810.662729	C47H91N2O6P	Level 2
SM(d44:1)	7.655156286	842.7236398	C49H99N2O6P	Level 2
Methacholine	13.31249818	159.1259913	C8H17NO2	Level 2
Amurensine	14.47062147	325.1309625	C19H19NO4	Level 2
N-Acetyl-L-leucine	11.75257886	173.1053019	C8H15NO3	Level 2
Muramic acid	14.36394731	251.1006486	C9H17NO7	Level 2
4-Trimethylammoniobutanoate	13.34127484	145.1102817	C7H15NO2	Level 1
N-acetyl -D- glucosaminitol	12.06348573	223.105717	C8H17NO6	Level 2
Procollagen 5-(D-galactosyloxy)-L-lysine	12.1238101	324.1533414	C12H24N2O8	Level 2
Guanidinoacetate	15.6656638	117.053872	C3H7N3O2	Level 2
PE(20:2(11Z,14Z)/P-18:1(11Z))	6.425678698	753.5663233	C43H80NO7P	Level 2
O-Butanoylcarnitine	8.86100573	231.147214	C11H21NO4	Level 2
Ectoine	12.89639008	142.0742117	C6H10N2O2	Level 2
Sedoheptulose	11.93174128	210.0742643	C7H14O7	Level 2
PE(O-38:5)	3.904493194	751.5522622	C43H78NO7P	Level 2
SM(d38:1)	7.746122977	758.6302384	C43H87N2O6P	Level 2
4-Aminobenzoate	11.72756054	137.0476767	C7H7NO2	Level 2
N-Acetyl-D-glucosaminate	12.15682873	237.0849176	C8H15NO7	Level 2
N-Ethylmaleimide	12.26823825	125.0478107	C6H7NO2	Level 2
O-Propanoylcarnitine	9.828427831	217.1315055	C10H19NO4	Level 2
Mannitol	13.96185021	182.0790579	C6H14O6	Level 1
PE(36:2)	3.975971591	743.5468781	C41H78NO8P	Level 2
Gibberellin A20	15.19555468	332.1619387	C19H24O5	Level 2
PA(36:5)	3.772125122	694.4573671	C39H67O8P	Level 2
Met-Ala-Gly	12.61784528	277.109783	C10H19N3O4S	Level 2
PC(34:1)	4.093338047	759.5776619	C42H82NO8P	Level 2
PA(34:2)	3.78409695	672.4727326	C37H69O8P	Level 2
PA(34:1)	3.782581688	674.4878782	C37H71O8P	Level 2
Asp-Gly-Arg	15.71866196	346.1601995	C12H22N6O6	Level 2
flaviolin	15.47172491	206.0217498	C10H6O5	Level 2
Slaframine	10.03852984	240.1471465	C12H20N2O3	Level 2
[FA (5:2)] 2,4-pentadienoic acid	13.92522866	98.03676433	C5H6O2	Level 2
4-Pyridoxolactone	13.88701481	165.042557	C8H7NO3	Level 2
[SP (26:0)] N-(17Z-hexacosenoyl)-sphing-4-enine-1-phosphocholine	7.669009319	840.7095433	C49H97N2O6P	Level 2
N-Acetylornithine	13.44875748	174.1003625	C7H14N2O3	Level 2
Asp-Arg	16.43298619	289.1387715	C10H19N5O5	Level 2
PE(36:4)	3.97397338	739.5138297	C41H74NO8P	Level 2
PE(P-36:4)	3.96998098	723.5204713	C41H74NO7P	Level 2
PA(36:4)	3.757335441	696.4727572	C39H69O8P	Level 2
Pyridoxine phosphate	13.69505236	249.0402863	C8H12NO6P	Level 2
Creatinine	9.772310919	113.0588054	C4H7N3O	Level 2
CTAB	8.591215056	283.3242621	C19H41N	Level 2
PC(36:2)	4.038174173	785.5933721	C44H84NO8P	Level 2
Stachydrine	12.81825893	143.0946509	C7H13NO2	Level 2
ancymidol	4.76708849	256.1211937	C15H16N2O2	Level 2
Phosphophosphinate	13.23345399	275.0322953	C6H15NO7P2	Level 2
PE(P-38:6)	3.899742012	747.5197164	C43H74NO7P	Level 2
PE(P-38:5)	3.908841773	749.536121	C43H76NO7P	Level 2
PE(34:4)	3.766756565	711.4850992	C39H70NO8P	Level 2
sn-glycero-3-Phosphoethanolamine	15.55375494	215.0560259	C5H14NO6P	Level 2
PE(P-40:5)	3.885598361	777.568141	C45H80NO7P	Level 2
PS(40:8)	3.766090848	831.5055628	C46H74NO10P	Level 2
Ethanolamine phosphate	15.87555539	141.0191463	C2H8NO4P	Level 2
PC(30:0)	4.12687206	705.5304426	C38H76NO8P	Level 2
(R)-2-Hydroxyglutarate	14.91599962	148.0371659	C5H8O5	Level 2
PE(32:0)	3.767713366	691.515017	C37H74NO8P	Level 2
PE(36:0)	4.106515481	747.5784574	C41H82NO8P	Level 2
PC(38:4)	3.996746937	809.5933119	C46H84NO8P	Level 2
PE(34:3)	3.844621109	713.4993239	C39H72NO8P	Level 2
8-Amino-7-oxononanoate	11.7807488	187.1209801	C9H17NO3	Level 2
Hydroxybutyrylcarnitine	11.40152929	247.1421646	C11H21NO5	Level 2
Ala-Ala-Ala-Ser	16.10230843	318.1541557	C12H22N4O6	Level 2
NG,NG-Dimethyl-L-arginine	20.96573014	202.1431222	C8H18N4O2	Level 2
1,6-diaminohexane	13.41822981	116.131325	C6H16N2	Level 2
L-beta-aspartyl-L-alanine	16.04245189	204.0745663	C7H12N2O5	Level 2
N6-Acetyl-L-lysine	12.07017078	188.1160916	C8H16N2O3	Level 2
Elaidiccarnitine	7.783669729	425.3504421	C25H47NO4	Level 2
Lys-Met-Phe	12.67778376	424.21494	C20H32N4O4S	Level 2
PS(38:5)	3.760088957	809.5218144	C44H76NO10P	Level 2
PE(32:1)	3.77020634	689.4997237	C37H72NO8P	Level 2
L-isoleucyl-L-proline	12.98650164	228.1474926	C11H20N2O3	Level 2
CMP-N-trimethyl-2-aminoethylphosphonate	14.31055001	472.1128269	C14H26N4O10P2	Level 2
PC(40:6)	3.970962904	833.5943451	C48H84NO8P	Level 2
Cytidine	11.8734042	243.0851975	C9H13N3O5	Level 1
Resazurin	15.47306882	229.0375883	C12H7NO4	Level 2
D-Gluconic acid	13.22754471	196.0582859	C6H12O7	Level 1
PS(38:4)	3.769735517	811.5373439	C44H78NO10P	Level 2
Cholesterolsulfate	3.725329823	466.3110366	C27H46O4S	Level 2
Cholesta-5,7-dien-3beta-ol	5.071643871	384.3394549	C27H44O	Level 2
[ST] (5Z,7E)-9,10-seco-5,7,10(19)-cholestatriene	6.397422031	368.3446056	C27H44	Level 2
3-(4-Hydroxyphenyl)lactate	8.678557934	182.0579574	C9H10O4	Level 2
PS(34:0)	3.759829347	763.5363652	C40H78NO10P	Level 2
SM(d36:2)	7.746672789	728.5837804	C41H81N2O6P	Level 2
LysoPE(20:4)	4.64329791	501.2854477	C25H44NO7P	Level 2
Vicine	15.89384978	304.1022906	C10H16N4O7	Level 2
thiomethyl glutamate	14.55617614	193.0407738	C6H11NO4S	Level 2
(S)-Malate	15.75892499	134.0215411	C4H6O5	Level 1
Taurine	14.72563545	125.0146192	C2H7NO3S	Level 2
D-Arabinonate	12.64705268	166.0476871	C5H10O6	Level 2
Ala-Leu-Gly-Arg	11.20617233	415.2539254	C17H33N7O5	Level 2
Lys-Thr-Thr	15.30734816	348.2011803	C14H28N4O6	Level 2
L-Carnitine	13.23919273	161.1052069	C7H15NO3	Level 1
Otonecine	11.16680604	185.105224	C9H15NO3	Level 2
Thr-Trp-Cys	15.40775591	408.1473579	C18H24N4O5S	Level 2
PI(38:4)	3.778751151	886.556144	C47H83O13P	Level 2
3-Amino-2-piperidone	10.88140033	114.0793451	C5H10N2O	Level 2
PS(42:10)	3.732780041	855.5063353	C48H74NO10P	Level 2
PC(40:5)	3.984329342	835.6087414	C48H86NO8P	Level 2
Ile-Lys-Pro	21.0307888	356.2426885	C17H32N4O4	Level 2
[FA oxo,amino(6:0)] 3-oxo-5S-amino-hexanoic acid	12.40926484	145.0738952	C6H11NO3	Level 2
Ala-Leu-Thr-Ala	14.52596755	374.2165567	C16H30N4O6	Level 2
N6,N6,N6-Trimethyl-L-lysine	21.30486008	188.1525853	C9H20N2O2	Level 2
PI(40:6)	3.773235912	910.5571605	C49H83O13P	Level 2
PE(38:6)	3.922003281	763.5149945	C43H74NO8P	Level 2
N-(L-Arginino)succinate	16.67229276	290.1228781	C10H18N4O6	Level 2
PE(38:1)	4.07658004	773.593328	C43H84NO8P	Level 2
Apiole	7.737535176	222.0892047	C12H14O4	Level 2
Orotidine	11.96203755	288.0593146	C10H12N2O8	Level 2
PC(36:1)	4.042195065	787.6077239	C44H86NO8P	Level 2
N2-(D-1-Carboxyethyl)-L-lysine	17.07721828	218.1268075	C9H18N2O4	Level 2
5,6-Dihydrothymine	14.67669997	128.0585414	C5H8N2O2	Level 2
NAD+	14.07574172	663.1093829	C21H27N7O14P2	Level 2
(R,R)-Tartaric acid	17.07934956	150.0164768	C4H6O6	Level 1
PS(38:6)	3.768062201	807.5060542	C44H74NO10P	Level 2
Lys-Thr-Ser	15.39097866	334.1857595	C13H26N4O6	Level 2
Gln-Leu-Lys-Tyr	15.66763053	550.3113996	C26H42N6O7	Level 2
PC(36:4)	4.043390133	781.562606	C44H80NO8P	Level 2
PS(40:5)	3.744791076	837.5514717	C46H80NO10P	Level 2
Phthalate	14.13122989	166.0266159	C8H6O4	Level 2
PS(34:2)	3.79325751	759.5055238	C40H74NO10P	Level 2
D-Glucosamine	16.30531847	179.0794861	C6H13NO5	Level 2
N-(eicosanoyl)-sphinganine-1-phospho-(1'-myo-inositol)	26.88408455	837.6092497	C44H88NO11P	Level 2
L-Methionine S-oxide	13.27648969	165.0458611	C5H11NO3S	Level 2
Sucrose	15.24055119	342.1157306	C12H22O11	Level 1
D-Ribose 5-phosphate	15.40051787	230.0191598	C5H11O8P	Level 1
PS(40:4)	3.746799992	839.5662119	C46H82NO10P	Level 2
PS(36:1)	3.77203545	789.5524039	C42H80NO10P	Level 2
PS(42:7)	3.735643912	861.5512273	C48H80NO10P	Level 2
Asp-Leu-Lys-Asp	14.00045145	489.2439242	C20H35N5O9	Level 2
PI(36:4)	3.798949991	858.5251763	C45H79O13P	Level 2
PC(40:7)	3.992751402	831.578605	C48H82NO8P	Level 2
D-Glycerate	11.56460122	106.0265168	C3H6O4	Level 2
PS(34:1)	3.780802362	761.5215895	C40H76NO10P	Level 2
PS(36:4)	3.78854907	783.5046556	C42H74NO10P	Level 2
IMP	15.2850721	348.0473227	C10H13N4O8P	Level 1
LysoPC(O-16:1)	4.72220565	479.3380111	C24H50NO6P	Level 2
N(pi)-Methyl-L-histidine	12.54261549	169.0849502	C7H11N3O2	Level 2
6,7-Dimethyl-8-(1-D-ribityl)lumazine	12.859354	326.1229395	C13H18N4O6	Level 2
PS(36:2)	3.766570891	787.5372059	C42H78NO10P	Level 2
PI(38:5)	3.787707029	884.5412201	C47H81O13P	Level 2
CMP-2-aminoethylphosphonate	15.17152671	430.0648082	C11H20N4O10P2	Level 2
LysoPE(20:0)	4.71478404	509.3484566	C25H52NO7P	Level 2
Nicotinamide D-ribonucleotide	15.21556922	334.0569872	C11H15N2O8P	Level 2
D-Mannonate	14.26056711	196.0583007	C6H12O7	Level 2
PC(32:1)	4.104763142	731.5461464	C40H78NO8P	Level 2
Aloesin	13.95395002	394.1259059	C19H22O9	Level 2
N-(3-oxooctanoyl)-L-homoserine	11.48613247	259.142235	C12H21NO5	Level 2
LysoPE(18:1)	4.753461739	465.3222086	C23H48NO6P	Level 2
D-Glucose	12.53804796	180.0634122	C6H12O6	Level 2
PC(38:6)	4.00546337	805.5630151	C46H80NO8P	Level 2
[LysoPC(16:2)] 1-hexadecyl-sn-glycero-3-phosphocholine	4.769339197	481.3533882	C24H52NO6P	Level 2
Hippurate	7.856859458	179.0582105	C9H9NO3	Level 2
sn-glycero-3-Phosphocholine	14.43189285	257.1027617	C8H20NO6P	Level 2
Creatine	14.5368388	131.0693869	C4H9N3O2	Level 1
Adenine	9.647125872	135.0544088	C5H5N5	Level 1
L-Homocitrulline	15.10217447	189.1115281	C7H15N3O3	Level 2
Asn-Glu-Ile-Pro	12.36173564	471.2335421	C20H33N5O8	Level 2
Glutathione disulfide	17.21111575	612.1522189	C20H32N6O12S2	Level 2
Pro-Arg-His	26.13714634	408.2237255	C17H28N8O4	Level 2
[SP] Sphinganine-1-phosphate	7.821592003	381.2641169	C18H40NO5P	Level 2
N-Hydroxy-L-tyrosine	7.834389679	197.0689555	C9H11NO4	Level 2
PA(38:6)	3.748021594	720.4723742	C41H69O8P	Level 2
Cys-Leu-Cys-Tyr	10.71959627	500.1761696	C21H32N4O6S2	Level 2
Ala-Asp-Ser	15.55209788	291.1068217	C10H17N3O7	Level 2
4-Pyridoxate	7.812785454	183.0531974	C8H9NO4	Level 2
FA (18:1)	7.785693911	282.2558137	C18H34O2	Level 2
Ethyl 3-oxobutanoate	4.794564819	130.0630108	C6H10O3	Level 2
Choline	19.39925817	103.0997218	C5H13NO	Level 1
Asn-Pro	13.68573591	229.106373	C9H15N3O4	Level 2
sn-Glycerol 3-phosphate	14.8400144	172.0136799	C3H9O6P	Level 1
L-Serine	15.66260247	105.0426183	C3H7NO3	Level 2
Cys-Gly	14.17771149	178.0410585	C5H10N2O3S	Level 2
UDP	16.06560261	404.0025039	C9H14N2O12P2	Level 2
Erythronicacid	16.08496114	136.0372472	C4H8O5	Level 2
Hypaphorine	8.777970635	246.1369269	C14H18N2O2	Level 2
Phosphocreatine	15.00677866	211.0358772	C4H10N3O5P	Level 2
D-myo-Inositol 1,2-cyclic phosphate	15.00620802	242.019418	C6H11O8P	Level 2
5-Oxoproline	9.8967667	129.0425975	C5H7NO3	Level 1
L-beta-aspartyl-L-serine	15.51855161	220.0695097	C7H12N2O6	Level 2
Vinylacetylglycine	14.47672298	143.0581244	C6H9NO3	Level 2
Asp-Val-Pro-Ser	10.02898451	416.1905837	C17H28N4O8	Level 2
Nicotinate D-ribonucleoside	13.04482584	255.0744762	C11H13NO6	Level 2
2(alpha-D-Mannosyl)-D-glycerate	14.71665832	268.0793688	C9H16O9	Level 2
2-Hydroxyadenine	12.28627583	151.0494461	C5H5N5O	Level 2
Morphinone	14.63718759	283.1206391	C17H17NO3	Level 2
Diethanolamine	18.18046143	105.0789932	C4H11NO2	Level 1
Arg-Phe-Phe-Arg	14.82562249	624.3491087	C30H44N10O5	Level 2
cis-Aconitate	17.44542477	174.0164431	C6H6O6	Level 2
Phosphoenolpyruvate	17.21903294	167.9823996	C3H5O6P	Level 2
[PG (16:0)] 1-hexadecanoyl-sn-glycero-3-phospho-(1'-sn-glycerol)	3.993641319	484.2795318	C22H45O9P	Level 2
LysoPC(16:0)	4.747394623	495.332902	C24H50NO7P	Level 2
4-Nitroaniline	7.81931669	138.0429519	C6H6N2O2	Level 2
Quinate	12.39158923	192.0634489	C7H12O6	Level 2
Lys-Val	21.80368317	245.1739979	C11H23N3O3	Level 2
Indole-3-acetamide	7.824255171	174.0793752	C10H10N2O	Level 1
L-gamma-glutamyl-L-isoleucine	10.86604139	260.1372902	C11H20N2O5	Level 2
Camptothecin	12.99285327	348.1108271	C20H16N2O4	Level 2
L-Proline	12.72803454	115.0633217	C5H9NO2	Level 1
N6-Methyl-L-lysine	21.97188036	160.1209903	C7H16N2O2	Level 2
3-propylphosphoenolpyruvate	21.74391067	210.0294771	C6H11O6P	Level 2
N-Acetyl-D-glucosamine 6-phosphate	14.6788401	301.0562306	C8H16NO9P	Level 2
vanillylamine	7.803614038	153.0789728	C8H11NO2	Level 2
O-Acetylneuraminic acid	14.69694065	309.1061681	C11H19NO9	Level 2
Inosine	10.8901115	268.0810103	C10H12N4O5	Level 2
L-Asparagine	15.17849635	132.0534795	C4H8N2O3	Level 1
2-Hydroxyethanesulfonate	7.73518988	125.9986739	C2H6O4S	Level 2
D-Fructose	16.95432316	180.0634742	C6H12O6	Level 1
Pantothenate	8.523668298	219.1108048	C9H17NO5	Level 1
Norlichexanthone	14.76873562	258.0524465	C14H10O5	Level 2
N-Acetyl-L-aspartate	14.33165772	175.0480896	C6H9NO5	Level 2
3-Methyleneoxindole	7.67959034	145.0527472	C9H7NO	Level 2
PS(36:0)	3.704887806	791.5666388	C42H82NO10P	Level 2
2-Amino-2-deoxy-D-gluconate	16.9484212	195.0744521	C6H13NO6	Level 2
Hypoxanthine	10.16775048	136.0384951	C5H4N4O	Level 1
[PE(16:0/18:1)] 1-hexadecanoyl-2-(11Z-octadecenoyl)-sn-glycero-3-phosphoethanolamine	6.427420209	717.5303559	C39H76NO8P	Level 2
Cys-Phe-Gly-Gly	10.73705356	382.1312582	C16H22N4O5S	Level 2
LysoPC(18:1)	4.679903774	521.3484257	C26H52NO7P	Level 2
Arg-Asp-Asp-Gly	17.78433326	461.1867895	C16H27N7O9	Level 2
[PG (18:1)] 1-(9E-octadecenoyl)-sn-glycero-3-phospho-(1'-sn-glycerol)	3.956764787	510.2952108	C24H47O9P	Level 2
Ala-Ser	21.7384506	176.0796533	C6H12N2O4	Level 2
2-Deoxy-2,3-dehydro-N-acetylneuraminic acid	12.91774014	291.0953108	C11H17NO8	Level 2
1-(14-methyl-pentadecanoyl)-2-(8-[3]-ladderane-octanyl)-sn-glycerol	3.712448597	602.5263197	C39H70O4	Level 2
Glu-Met-Ser	11.79344624	365.1257773	C13H23N3O7S	Level 2
Methyl 2-diazoacetamidohexonate	14.12588493	213.111346	C9H15N3O3	Level 2
PS(36:3)	3.761718077	785.521268	C42H76NO10P	Level 2
Ne,Ne dimethyllysine	20.91909865	174.1368377	C8H18N2O2	Level 2
Kievitone hydrate	10.17624863	374.1365325	C20H22O7	Level 2
N-Carbamyl-L-glutamate	15.26433968	190.0590633	C6H10N2O5	Level 2
L-Methionine	11.48433612	149.0510637	C5H11NO2S	Level 1
2-Quinolinecarboxylic acid	7.802019963	173.0477099	C10H7NO2	Level 2
Cassyfiline	14.5544049	341.126031	C19H19NO5	Level 2
(S)-2-Aceto-2-hydroxybutanoate	12.78272704	146.0579351	C6H10O4	Level 2
gamma-Glutamyl-Se-methylselenocysteine	16.05582605	312.0223748	C9H16N2O5Se	Level 2
LysoPE(18:0)	4.766580759	481.3171247	C23H48NO7P	Level 2
gamma-L-Glutamyl-L-cysteine	13.9799965	250.0624359	C8H14N2O5S	Level 2
Asn-Val-Asn-Asn	9.196591101	459.2075605	C17H29N7O8	Level 2
2,3-Dimethylmaleate	14.6707996	144.0423104	C6H8O4	Level 2
LysoPC(20:4)	4.654565752	543.3325002	C28H50NO7P	Level 2
N-Acetyl-L-citrulline	12.88246904	217.106209	C8H15N3O4	Level 2
L-Leucine	11.24354251	131.0946007	C6H13NO2	Level 1
3-nitro-2-pentanol	8.624348537	133.0737999	C5H11NO3	Level 2
octulose 8-phosphate	16.12810678	320.0506054	C8H17O11P	Level 2
melibionate	15.04477632	358.1107304	C12H22O12	Level 2
L-Ornithine	21.79184337	132.089868	C5H12N2O2	Level 1
AMP	13.64967399	347.0632864	C10H14N5O7P	Level 1
O-Acetyl-L-homoserine	11.05721669	161.0688362	C6H11NO4	Level 2
Gyromitrin	14.82908803	100.0636935	C4H8N2O	Level 2
L-Glutamate	14.48989821	147.0531601	C5H9NO4	Level 1
L-Alanine	14.63466789	89.04771276	C3H7NO2	Level 2
nonulose 9-phosphate	16.6214641	350.0611858	C9H19O12P	Level 2
UDP-glucose	16.06297276	566.0543134	C15H24N2O17P2	Level 1
PG(36:2)	3.660268062	774.5407117	C42H79O10P	Level 2
Glutathione	14.04822726	307.0833578	C10H17N3O6S	Level 2
D-Glucose 6-phosphate	16.6574462	260.0296677	C6H13O9P	Level 1
deacetylcolchicine	14.97104954	357.1572188	C20H23NO5	Level 2
L-beta-aspartyl-L-asparticacid	17.12153759	248.0645088	C8H12N2O7	Level 2
L-Glutamine	14.95872933	146.0690718	C5H10N2O3	Level 1
L-Glutamate 5-semialdehyde	14.34594483	131.0583017	C5H9NO3	Level 2
D-Fructose 6-phosphate	16.14395567	260.0298806	C6H13O9P	Level 1
D-Galactonate	13.91846077	196.0583175	C6H12O7	Level 2
5-Guanidino-2-oxopentanoate	14.07771712	173.080114	C6H11N3O3	Level 2
N2-(D-1-Carboxyethyl)-L-arginine	14.09665396	246.132894	C9H18N4O4	Level 2
Decanoyl-CoA	14.16573178	921.2500413	C31H54N7O17P3S	Level 2
Met-Met-Met	14.02729081	411.131334	C15H29N3O4S3	Level 2
D-Mannitol 1-phosphate	15.01468199	262.0452726	C6H15O9P	Level 2
PS(18:0)	4.29413147	525.3059048	C24H48NO9P	Level 2
S-(2-Hydroxyethyl)glutathione	12.86558003	351.1102638	C12H21N3O7S	3.Level 2
Trp-Ala-Cys	13.87625158	378.1366236	C17H22N4O4S	Level 2
L-Cystine	16.11219839	240.0239759	C6H12N2O4S2	Level 1
Cholate	4.788841054	408.2868306	C24H40O5	Level 2
UDP-N-acetyl-D-galactosamine	14.88238991	607.0809053	C17H27N3O17P2	Level 2
Lys-Ser	16.4759406	233.1375524	C9H19N3O4	Level 2
Anthocyanin 3'-O-beta-D-glucoside	13.56301874	384.1215433	C21H20O7	Level 2
L-Isoleucine	10.90178001	131.0946042	C6H13NO2	Level 1
N-Acetylputrescine	18.38928863	130.1106274	C6H14N2O	Level 2
(Z)-4-Hydroxyphenylacetaldehyde-oxime	8.00844368	151.0633219	C8H9NO2	Level 2
Orthophosphate	12.69026711	97.97686262	H3O4P	Level 2
Glycerophosphoglycerol	12.49621893	246.0504276	C6H15O8P	Level 2
Glu-Ala-Ser	14.59720872	305.1220816	C11H19N3O7	Level 2
D-Galacturonate	14.32104487	194.0426501	C6H10O7	Level 2
Thiamin	19.79554463	264.1046751	C12H16N4OS	Level 2
L-Aspartate	14.82317868	133.0375056	C4H7NO4	Level 1
2-Oxoglutarate	15.25614166	146.0216	C5H6O5	Level 2
Hydantoin-5-propionate	15.23335537	172.0484281	C6H8N2O4	Level 2
GDP-3,6-dideoxy-D-galactose	12.54395543	573.087839	C16H25N5O14P2	Level 2
L-beta-aspartyl-L-leucine	12.29707868	246.1215182	C10H18N2O5	Level 2
[PG (18:0)] 1-octadecanoyl-sn-glycero-3-phospho-(1'-sn-glycerol)	3.92879461	512.3104814	C24H49O9P	Level 2
FA methyl(15:0) tridecanedioic acid	4.199541656	258.183055	C14H26O4	Level 2
gamma-L-Glutamyl-L-cysteinyl-beta-alanine	12.74039741	321.0991655	C11H19N3O6S	Level 2
Ile-Cys-Phe	8.765727864	381.1723639	C18H27N3O4S	Level 2
L-Histidine	14.71829474	155.0694933	C6H9N3O2	Level 1
LysoPE(18:2)	4.70154295	477.2847507	C23H44NO7P	Level 2
Aspartylysine	16.39673804	261.1327505	C10H19N3O5	Level 2
Asn-Asp	15.56624303	247.080633	C8H13N3O6	Level 2
PS(15:0)	7.818601409	483.2606669	C21H42NO9P	Level 2
Ergothioneine	14.71772071	229.0886199	C9H15N3O2S	Level 2
L-Tryptophan	11.5632162	204.0900361	C11H12N2O2	Level 2
L-Phenylalanine	10.17702255	165.0790201	C9H11NO2	Level 2
L-Valine	12.38265454	117.0789743	C5H11NO2	Level 1
Arg-Lys-Pro-His	28.62477851	536.3182404	C23H40N10O5	Level 2
D-Erythrose 4-phosphate	12.57625161	200.008464	C4H9O7P	Level 2
Pyridoxal	8.135862968	167.0581996	C8H9NO3	Level 1
Citrate	17.76929051	192.0270654	C6H8O7	Level 1
2,3,5-Trihydroxytoluene	12.71357784	140.0473479	C7H8O3	Level 2
betaine aldehyde hydrate	13.23189333	119.0946118	C5H13NO2	Level 2
Trp-Trp-Ser	10.0176415	477.2006456	C25H27N5O5	Level 2
S-Adenosyl-L-homocysteine	13.5654681	384.1220215	C14H20N6O5S	Level 1
NADP+	16.54652674	743.0760217	C21H28N7O17P3	Level 2
Sulfoacetaldehyde	10.8148129	123.9829935	C2H4O4S	Level 2
3-Phospho-D-glycerate	16.64571168	185.9929721	C3H7O7P	Level 1
4-Hydroxyphenylacetylglycine	7.802410344	209.0687791	C10H11NO4	Level 2
Convicine	17.94408208	305.0859644	C10H15N3O8	Level 2
L-Arginine	23.40400616	174.1116909	C6H14N4O2	Level 1
L-Threonine	14.35114076	119.0582507	C4H9NO3	Level 2
(S)-Dihydroorotate	10.80513895	158.0327063	C5H6N2O4	Level 1
PG(34:1)	3.675469498	748.5249639	C40H77O10P	Level 2
beta-Citryl-L-glutamic acid	19.51395774	321.0697116	C11H15NO10	Level 2
2-C-Methyl-D-erythritol 4-phosphate	14.67367839	216.0400902	C5H13O7P	Level 2
GDP-L-fucose	17.25927694	589.0819389	C16H25N5O15P2	Level 2
Nicotinamide	7.841374176	122.0479772	C6H6N2O	Level 1
Thiourocanic acid	14.70685283	170.0149061	C6H6N2O2S	Level 2
Succinyladenosine	14.28621666	383.1082391	C14H17N5O8	Level 2
psicoselysine	20.82734971	308.1583955	C12H24N2O7	Level 2
Acetyl phosphate	16.18054724	139.9874561	C2H5O5P	Level 2
D-Sedoheptulose 7-phosphate	16.06167942	290.0402314	C7H15O10P	Level 2
4-Amino-4-deoxychorismate	12.90473308	225.0637364	C10H11NO5	Level 2
GDP-mannose	17.88939676	605.0769545	C16H25N5O16P2	Level 1
(S)-1-Pyrroline-5-carboxylate	14.84401281	113.0476785	C5H7NO2	Level 2
L-Lysine	22.48876216	146.1055106	C6H14N2O2	Level 1
4-Hydroxy-4-methylglutamate	12.81802715	177.0637515	C6H11NO5	Level 2
L-Tyrosine	12.88258497	181.073983	C9H11NO3	Level 1
2-Amino-9,10-epoxy-8-oxodecanoic acid	12.7240425	215.115727	C10H17NO4	Level 2
ADP	14.9140772	427.028835	C10H15N5O10P2	Level 1
N-Acetyl-D-glucosamine 1,6-bisphosphate	16.65974464	381.0219689	C8H17NO12P2	Level 2
Corydaline	10.74861412	369.1935839	C22H27NO4	Level 2
UDP-glucuronate	18.59798819	580.0336016	C15H22N2O18P2	Level 2
Succinate	14.90010694	118.0266185	C4H6O4	Level 2
Glu-Thr	14.60079271	248.1008756	C9H16N2O6	Level 2
6-Phospho-D-gluconate	17.316507	276.0247141	C6H13O10P	Level 1
Sanguinarine	12.79972801	331.0839438	C20H13NO4	Level 2
ATP	16.15837627	506.9949203	C10H16N5O13P3	Level 1
L-beta-aspartyl-L-threonine	15.53294013	234.085272	C8H14N2O6	Level 2
N-Carbamoyl-L-aspartate	16.41315452	176.0430741	C5H8N2O5	Level 2
D-Fructose 1,6-bisphosphate	17.70770903	339.9961164	C6H14O12P2	Level 2
alpha-D-Glucosamine 1-phosphate	15.20367933	259.0456389	C6H14NO8P	Level 2
Orotate	9.837953981	156.0171477	C5H4N2O4	Level 1
Urate	12.32256718	168.0283426	C5H4N4O3	Level 1
S-Sulfo-L-cysteine	16.45932091	200.9766006	C3H7NO5S2	Level 2
[PS(20:4)] 1-(5Z,8Z,11Z,14Z-eicosatetraenoyl)-sn-glycero-3-phosphoserine	4.287778143	545.2746748	C26H44NO9P	Level 2
N-Succinyl-L-glutamate	13.82285434	247.0689541	C9H13NO7	Level 2
Asp-Thr-Cys-Cys	16.54990773	440.1037006	C14H24N4O8S2	Level 2
UMP	14.97695497	324.0354669	C9H13N2O9P	Level 1
4-Aminobutanoate	15.34482603	103.0633508	C4H9NO2	Level 1
Ala-Leu-Trp-Arg	23.36263843	544.3132473	C26H40N8O5	Level 2
Thymine	7.825950232	126.0429033	C5H6N2O2	Level 1
Glu-Cys-Cys	11.12550396	353.0716076	C11H19N3O6S2	Level 2
L-beta-aspartyl-L-glutamicacid	14.02396037	262.0801015	C9H14N2O7	Level 2
(-)-Argemonine	12.42084607	355.1778144	C21H25NO4	Level 2
D-4'-Phosphopantothenate	14.93095421	299.0766047	C9H18NO8P	Level 2
PS(18:2(9Z,12Z)/0:0)	4.351431711	521.2745229	C24H44NO9P	Level 2
Asp-Cys-Cys-Ser	16.82657171	426.088202	C13H22N4O8S2	Level 2
dihydrothymidine	14.92830004	244.1059006	C10H16N2O5	Level 2
1,2-Dihydroxy-5-(methylthio)pent-1-en-3-one	7.917710096	162.0350206	C6H10O3S	Level 2
S-Methyl-5-thio-D-ribose 1-phosphate	12.72545592	260.0118321	C6H13O7PS	Level 2
L-Pipecolate	12.35014517	129.0789892	C6H11NO2	Level 1
Thr-Pro	11.37934046	216.1108491	C9H16N2O4	Level 2
Ala-Pro	11.32346325	186.1006061	C8H14N2O3	Level 2
Aspartyl-L-proline	15.2586538	230.0904663	C9H14N2O5	Level 2
Asn-Gly-Pro-Pro	10.92762413	383.1804657	C16H25N5O6	Level 2
Ala-Glu-Glu-His	15.27313045	484.1924693	C19H28N6O9	Level 2
Glu-Glu-Pro	16.63878338	373.1488583	C15H23N3O8	Level 2
Ala-Lys-Lys-Asp	14.18628684	460.2646125	C19H36N6O7	Level 2
Lys-Pro	15.17246384	243.1583776	C11H21N3O3	Level 2
Asn-Leu-Pro-Pro	10.82361996	439.2433955	C20H33N5O6	Level 2
Ala-Gly-Ser	12.60291301	233.101189	C8H15N3O5	Level 2
[PS(18:1)] 1-(9Z-octadecenoyl)-sn-glycero-3-phosphoserine	4.31446178	523.2917002	C24H46NO9P	Level 2
Glycylproline	12.38836948	172.0848842	C7H12N2O3	Level 2
N-Acetylmethionine	7.809380472	191.0616312	C7H13NO3S	Level 2
Thr-Thr-Ser	16.41751528	307.1384014	C11H21N3O7	Level 2
Ser-Ser-Ser	16.40925297	279.1070384	C9H17N3O7	Level 2
Pro-Ser	12.75553037	202.0955136	C8H14N2O4	Level 2
Ala-Gly-Pro	12.42465007	243.1221379	C10H17N3O4	Level 2
Thr-Ser	11.8842334	206.0903796	C7H14N2O5	Level 2
Ser-Ser	13.07125422	192.0747819	C6H12N2O5	Level 2
N2-Succinyl-L-arginine	12.81089579	274.1280909	C10H18N4O5	Level 2
METABOLITES_END
#END