Metabolite_name	RefMet_name	115398	117547	134517	136727	144326	160528	173497	229230	232040	234629	234653	254695	254698	254703	257257	264516	277941	277961	312111	384019	120370	121976	150226	162601	164415	166755	171295	173583	232036	234641	242646	257264	258084	271608	310342	313142	319819	319847	365185	375180
Factors	-	VTE:no	VTE:no	VTE:no	VTE:no	VTE:no	VTE:no	VTE:no	VTE:no	VTE:no	VTE:no	VTE:no	VTE:no	VTE:no	VTE:no	VTE:no	VTE:no	VTE:no	VTE:no	VTE:no	VTE:no	VTE:yes	VTE:yes	VTE:yes	VTE:yes	VTE:yes	VTE:yes	VTE:yes	VTE:yes	VTE:yes	VTE:yes	VTE:yes	VTE:yes	VTE:yes	VTE:yes	VTE:yes	VTE:yes	VTE:yes	VTE:yes	VTE:yes	VTE:yes
1_2-Benzisothiazolin-3-one	1,2-Benzisothiazol-3(2H)-one	84400	100000	319000	185000	86200	85300	120000	72600	74500	78600	89200	95800	104000	71600	74000	94400	75100	98300	94400	83300	69500	92400	76900	127000	161000	101000	74700	156000	76200	97200	122000	108000	84300	78000	91700	89800	423000	89900	79200	80600
1_3-Benzodioxolyl-N-methylbutanamine (MBDB)		97300	99400	85800	92800	80800	136000	235000	122000	72800	117000	127000	122000	145000	87800	84400	83400	166000	111000	91600	80500	110000	94500	100000	82100	68100	114000	70700	77800	136000	115000	131000	168000	114000	95500	89400	109000	130000	126000	289000	161000
1-AMINOCYCLOPROPANE-1-CARBOXYLATE	1-Aminocyclopropanecarboxylic acid	1720000	1420000	1600000	1100000	1790000	2720000	1850000	2100000	2190000	2130000	1820000	1650000	1800000	1760000	1860000	1070000	2370000	1580000	1280000	1630000	1670000	1600000	1660000	1000000	1410000	2000000	1320000	1420000	912000	1760000	2150000	1660000	1970000	2230000	1700000	1560000	2230000	2010000	1980000	1150000
1-METHYLADENOSINE	1-Methyladenosine	4080	245000	5930		299000	140000	438000	25000	33600			13200	5110	4230							3540	426000	85000	1500000	39100		225000	317000					4210							
2-AMINOPHENOL	2-Aminophenol	62300	79100	64900	44100	198000	85200	150000	108000	93500	63900	77200	101000	77500	76300	77000	51300	42000	52200	62700	41100	65400	123000	101000	121000	235000	66800	161000	192000	53300	118000	66600	82600	115000	112000	77300	93500	43700	90600	83200	81000
2-Hydroxyphenylalanine	2-Hydroxy-L-Phenylalanine	130000000	98700000	139000000	86300000	144000000	185000000	153000000	172000000	148000000	148000000	95000000	108000000	101000000	151000000	110000000	108000000	163000000	218000000	85700000	152000000	142000000	82000000	124000000	43700000	106000000	179000000	108000000	105000000	79000000	155000000	202000000	105000000	158000000	87500000	105000000	103000000	155000000	194000000	152000000	80900000
2-Phenylglycine	2-Phenylglycine	139000	37200	71600	74100	76500	71000	66200	86400	72800	99100	82700	45500	30100	87600	78000	136000	107000	128000	33100	82600	78800	123000	148000	63000	69800	119000	76800	109000	79800	64100	328000	128000	78200	37500	55200	49800	111000	58700	92100	86500
3-(2-HYDROXYPHENYL)PROPANOATE	3-(2-Hydroxyphenyl)propanoic acid	35500	201000	32900	30700	329000	291000	1510000	35700	30800	40800	40400	31300	38700	34700	43400	34200	34300	36300	45500	60600	34100	300000	409000	1240000	1240000	109000	1560000	1540000	31500	29400	36100	33600	33700	30600	32500	35200	41100	32000	38600	32000
3_4-Dimethylbenzoic acid	3,4-Dimethylbenzoic acid	306000	283000	319000	294000	351000	328000	346000	308000	304000	314000	318000	320000	308000	278000	325000	299000	341000	300000	295000	280000	305000	326000	314000	409000	346000	311000	452000	356000	274000	297000	298000	296000	295000	306000	296000	295000	290000	296000	288000	303000
3_5-Di-tert-butylbenzaldehyde		427000	428000	470000	410000	428000	435000	439000	426000	485000	417000	461000	428000	446000	431000	461000	435000	406000	511000	432000	436000	505000	421000	433000	436000	439000	433000	437000	481000	394000	438000	434000	481000	472000	412000	461000	430000	385000	438000	448000	473000
3-AMINOISOBUTANOATE	3-Aminoisobutanoic acid	886000	564000	573000	2030000	638000	730000	1010000	730000	445000	1860000	993000	456000	657000	505000	588000	1060000	821000	2620000	1860000	677000	527000	1040000	826000	459000	604000	1170000	599000	3010000	686000	1800000	638000	640000	608000	1570000	510000	679000	1600000	932000	3070000	646000
3-HYDROXY-3-METHYLGLUTARATE	3-Hydroxymethylglutaric acid	35700	39900	43000	59300	44500	48400	42700	43100	36000	42700	35900	35300	44700	43500	29500	45900	38200	94500	38600	68600	40700	49000	52000	54200	44200	130000	42100	67900	45800	47000	53200	42400	29000	28400	34700	41700	49400	46900	55300	53600
3-HYDROXYANTHRANILIC ACID	3-Hydroxyanthranilic acid	14400	6510	19300	239000	20000	20300	15900	6280	10100	15300	41900	12500	21500	12000	15600	22500	22300	71400	16700	25200	42200	13200	12000	13500	15100	72000	16900	50400	23700	71800	13400	13700	15300	12300	12300	29000	53600	108000	33600	30400
3-(Hydroxyphenyl) Propionic Acid	3-(3-Hydroxyphenyl)propanoic acid	32200	43600	26400	29200	40900	27300	30500	57000	48700	197000	58600	26300	34100	30000	38200	55400	36300	586000	32000	62200	29400	36700	32600	24200	23800	40800	23400	41500	27500	52500	27700	39900	38900	21500	36100	29800	50200	55300	25000	27900
3-METHOXYTYRAMINE	3-Methoxytyramine	31600	27100	44700	23700	36700	40400	40600	35800	27100	45500	46900	29800	34000	55500	54800	88600	51800	34500	83400	32300	25800	42000	33200	20400	38100	264000	36800	131000	29100	24200	17800	23600	20600	38300	35200	35500	36800	37100	59400	31400
3-UREIDOPROPIONATE	Ureidopropionic acid	271000	250000	268000	765000	394000	247000	224000	382000	424000	254000	307000	354000	323000	210000	569000	460000	387000	64000	346000	1170000	349000	461000	337000	436000	368000	511000	679000	766000	614000	1160000	859000	415000	562000	226000	381000	700000	556000	515000	472000	546000
4-AMINOBUTANOATE (GABA)	gamma-Aminobutyric acid	26700000	15400000	30600000	41600000	37100000	52900000	32800000	38800000	33300000	187000000	24100000	46800000	30100000	26800000	35000000	11400000	44900000	143000000	36500000	33400000	29500000	21900000	17600000	9490000	31400000	43400000	19300000	27000000	13100000	48200000	29500000	38800000	22200000	20700000	33600000	20400000	48600000	36500000	54400000	11300000
4-GUANIDINOBUTANOATE	4-Guanidinobutanoic acid	1440000	455000	470000	490000	243000	1250000	353000	762000	289000	654000	480000	303000	480000	494000	279000	250000	622000	404000	778000	491000	756000	329000	375000	228000	170000	2600000	279000	462000	699000	2140000	297000	819000	546000	255000	338000	572000	736000	538000	983000	1060000
4-HYDROXY-L-PHENYLGLYCINE	4-Hydroxyphenylglycine	343000	244000	378000	1060000	209000	309000	287000	274000	281000	278000	213000	286000	336000	220000	232000	351000	342000	218000	269000	338000	373000	273000	272000	202000	233000	214000	333000	238000	217000	291000	518000	318000	235000	287000	344000	316000	308000	246000	287000	419000
4-IMIDAZOLEACETIC ACID	Imidazoleacetic acid	446000	404000	354000	847000	370000	616000	494000	561000	441000	491000	511000	395000	736000	428000	293000	569000	559000	503000	654000	803000	506000	339000	1070000	317000	493000	902000	641000	566000	401000	535000	370000	896000	354000	483000	558000	575000	762000	554000	609000	1440000
5_6-DIHYDROURACIL	Dihydrouracil	742000	501000	520000	734000	589000	270000	548000	663000	631000	880000	948000	459000	775000	419000	491000	783000	637000	409000	713000	590000	519000	674000	398000	357000	668000	914000	497000	1000000	476000	879000	476000	465000	640000	380000	389000	400000	772000	895000	681000	500000
5-AMINOLEVULINIC ACID_R1	5-Amino-levulinic acid	4140000	4570000	2650000	4830000	7390000	9810000	5270000	2510000	4560000	2710000	2550000	2860000	6000000	2000000	2110000	1770000	2880000	5890000	2220000	6010000	6010000	8010000	17900000	6450000	3440000	7760000	4650000	8310000	9110000	2750000	5690000	2430000	2300000	3120000	3420000	7080000	3560000	4370000	4640000	3030000
5-AMINOLEVULINIC ACID_R2	5-Amino-levulinic acid	1050000	1510000	1060000	792000	1520000	2210000	1940000	7070000	3380000	568000	1460000	4860000	2780000	1400000	1890000	846000	1270000	1720000	1120000	781000	1190000	617000	508000	2550000	1760000	516000	1920000	2340000	947000	792000	1080000	1790000	5410000	1580000	555000	1580000	490000	529000	893000	626000
5-AMINOLEVULINIC ACID_R3	5-Amino-levulinic acid	1050000	255000	748000	792000	1590000	577000	1970000	7270000	739000	951000	1460000	910000	2790000	1390000	939000	733000	1270000	1720000	1120000	943000	789000	626000	508000	2640000	201000	884000	257000	493000	947000	909000	1080000	1060000	5400000	798000	960000	1230000	968000	811000	1130000	875000
5-hydroxyindoleacetic acid	5-Hydroxyindoleacetic acid	1200000	273000	986000	3400000	1650000	1150000	1750000	866000	835000	882000	868000	883000	902000	543000	706000	2430000	1500000	5150000	1030000	1610000	1470000	678000	1990000	309000	1190000	2510000	936000	1550000	1160000	1650000	941000	617000	1140000	372000	906000	1680000	1770000	3310000	1460000	1220000
5-HYDROXY-L-TRYPTOPHAN	5-Hydroxy-tryptophan	135000	429000	308000	104000	249000	296000	385000	505000	830000	294000	360000	410000	340000	481000	797000	203000	171000	161000	166000	145000	281000	367000	84300	291000	243000	290000	515000	200000	125000	363000	256000	230000	930000	546000	125000	335000	194000	376000	263000	169000
5-Hydroxymethyl-2-furaldehyde	5-Hydroxymethyl-2-furancarboxaldehyde	7030000	5760000	6790000	10800000	5060000	6770000	6680000	5500000	5790000	6870000	5670000	7240000	6350000	4700000	6080000	7200000	6740000	3530000	6410000	5710000	7170000	6170000	5440000	4580000	5920000	4620000	6710000	4650000	5600000	6900000	10100000	7150000	4850000	6820000	7730000	6300000	8280000	6260000	6330000	10100000
5-Hydroxy-N-formylkynurenine	5-Hydroxy-N-formylkynurenine	871000	590000	936000	1060000	864000	971000	706000	1190000	1230000	435000	953000	485000	520000	504000	425000	1090000	484000	822000	1200000	965000	1030000	2880000	891000	878000	979000	895000	3460000	3440000	821000	3020000	3340000	3050000	999000	2590000	2840000	904000	887000	909000	2520000	2890000
5-METHYLCYTOSINE HYDROCLORIDE	5-Methylcytosine	221000	573000	519000	534000	471000	451000	576000	478000	754000	357000	550000	549000	526000	339000	377000	487000	422000	1850000	404000	204000	560000	546000	442000	225000	715000	191000	662000	524000	565000	630000	418000	426000	489000	273000	445000	380000	578000	756000	569000	227000
6C-SUGAR ALCOHOL		3650000	1700000	9560000	214000000	32800000	2350000	24200000	23100000	2110000	1560000	30200000	1920000	35100000	638000000	17300000	65000000	16400000	103000000	13700000	19700000	33300000	24900000	10800000	6880000	8060000	55200000	2290000	13300000	29200000	3620000	11700000	1300000	23600000	20100000	2570000	67100000	9040000	83100000	16500000	9000000
6-DEOXY-HEXOSE		21500000	10900000	17100000	11100000	13300000	5420000	14300000	21400000	23900000	17600000	11600000	13800000	15300000	15200000	15500000	14000000	14300000	8360000	13600000	14800000	14000000	16700000	16700000	3120000	14400000	14200000	16100000	16300000	7160000	21300000	17100000	18700000	13000000	16000000	15600000	8930000	15200000	10600000	14400000	12800000
6-Quinolincarboxylic Acid	1-Nitronaphthalene	121000	19400	201000	133000	52400	47900	118000	103000	36600	203000	113000	607000	187000	92100	158000	152000	262000	115000	233000	91100	254000	122000	43900	34600	27100	103000	51400	152000	66500	308000	244000	97300	101000	42300	149000	129000	794000	317000	142000	617000
Acetaminophen/Paracetamol_R1	Acetaminophen	133000	38800	104000	171000	64000	121000	73800	72500	40000000	176000	218000	79600	128000	58600	152000	280000	305000	397000	96400	206000	191000	128000	113000	30500	87200	94400	41100000	104000	172000	106000	367000	334000	119000	144000	183000	148000	412000	209000	277000	235000
Acetaminophen/Paracetamol_R2	Acetaminophen	33400	35400	27900	242000	5790000	121000	77200	72500	38300000	40500	5960000	4540000	122000	63200000	70400000	68600	51100	1430000	64300	142000	44200	69900	39200000	21300000	61300	94400	41000000	87600	89500	106000	280000000	231000	97100	60300	6510000	120000	128000	209000	53200	52400
Acyl-Carnitine(5-OH)	CAR 5:0;OH	610000	322000	319000	2190000	346000	305000	279000	283000	441000	559000	360000	512000	465000	386000	442000	346000	1290000	702000	332000	1030000	361000	628000	391000	166000	222000	919000	285000	1200000	640000	452000	612000	827000	396000	245000	276000	312000	723000	352000	768000	396000
ADENINE	Adenine	197000	84800	104000	166000	108000	71700	81200	120000	103000	236000	168000	116000	102000	95700	83400	186000	97200	239000	115000	215000	105000	85900	138000	66100	90400	123000	83900	106000	122000	193000	277000	71900	84700	180000	167000	115000	205000	182000	102000	195000
ALANINE/SARCOSINE	Alanine/Sarcosine	22800000	14000000	16600000	19700000	14600000	19400000	16100000	12900000	17500000	21400000	22700000	15700000	18400000	10200000	10600000	15900000	25900000	43000000	18200000	27000000	26500000	16400000	16700000	8270000	9440000	13200000	18600000	16000000	12400000	17700000	32700000	23500000	13400000	14300000	26600000	16500000	29600000	27200000	27400000	20300000
ALDO/KETO-HEXOSE	Hexose	396000000	394000000	426000000	293000000	324000000	430000000	491000000	306000000	342000000	312000000	297000000	373000000	328000000	185000000	312000000	356000000	362000000	34300000	383000000	372000000	414000000	421000000	397000000	251000000	384000000	294000000	498000000	320000000	334000000	384000000	559000000	429000000	254000000	362000000	458000000	319000000	401000000	319000000	345000000	536000000
ALLANTOIN	Allantoin	2060000	4240000	7780000	6510000	5740000	2820000	7290000	6340000	7740000	3800000	5940000	3420000	5140000	5110000	2020000	6130000	2590000	2620000	2650000	1850000	3600000	6820000	2010000	6900000	6010000	4040000	7690000	9850000	5040000	3240000	5220000	3280000	4320000	2660000	2060000	5420000	2940000	3050000	4300000	2470000
ALPHA-AMINOADIPATE/N-METHYL-L-GLUTAMATE		871000	730000	1310000	1220000	944000	1640000	1120000	1410000	1060000	1070000	1050000	1170000	197000	1050000	678000	1360000	1350000	1980000	786000	2650000	1750000	570000	617000	595000	504000	1530000	552000	1150000	502000	216000	1860000	1480000	804000	696000	916000	814000	1360000	1080000	1260000	872000
Anthranilate	2-Aminobenzoic acid	870000	484000	956000	254000	177000	316000	481000	1090000	382000	308000	362000	438000	325000	331000	387000	161000	133000	1470000	187000	187000	349000	295000	158000	313000	430000	1230000	769000	410000	406000	341000	95800	516000	1250000	269000	234000	1350000	127000	651000	109000	243000
ASPARTATE_R1	Aspartic acid	1690000	597000	1370000	1180000	727000	442000	493000	1280000	1190000	1270000	1260000	1680000	1420000	1750000	1550000	1680000	1790000	596000	1420000	1340000	1260000	737000	712000	576000	381000	1960000	655000	1220000	1140000	1430000	1810000	1770000	2010000	713000	1140000	1680000	1540000	1340000	998000	1210000
ASPARTATE_R2	Aspartic acid	668000	597000	517000	1580000	727000	442000	493000	847000	534000	610000	1160000	745000	1050000	634000	653000	519000	998000	585000	803000	1300000	704000	737000	712000	576000	381000	2030000	655000	1220000	571000	1020000	655000	1130000	612000	635000	721000	746000	1570000	906000	880000	925000
BETAINE	Betaine	309000000	122000000	225000000	223000000	168000000	247000000	165000000	175000000	157000000	340000000	240000000	246000000	194000000	170000000	280000000	120000000	218000000	393000000	397000000	206000000	153000000	189000000	123000000	91200000	153000000	288000000	150000000	235000000	190000000	273000000	155000000	187000000	192000000	179000000	129000000	176000000	200000000	165000000	162000000	292000000
Bis(2-ethylhexyl) phthalate	Bis(2-ethylhexyl)phthalate	3700000	2760000	3600000	2550000	2670000	2760000	4240000	3210000	4390000	3230000	2830000	4280000	2660000	2460000	3190000	5420000	3480000	3870000	3160000	3030000	4510000	3330000	3220000	2900000	3160000	2710000	4580000	3870000	2550000	3580000	9920000	3350000	5080000	3000000	3620000	2980000	2520000	4130000	2790000	3810000
BOC-D-Phenylalanine		87300000	86800000	105000000	87500000	92500000	94300000	99300000	87900000	103000000	87800000	92600000	92400000	84200000	81000000	89800000	77900000	91100000	102000000	84600000	96900000	103000000	83500000	89500000	86900000	95400000	92300000	88300000	89000000	81700000	87400000	95300000	91000000	95100000	76800000	87900000	90500000	83800000	86000000	79900000	92100000
BOC-L-Tyrosine	Tyrosine	109000000	104000000	122000000	102000000	104000000	107000000	114000000	102000000	120000000	105000000	107000000	109000000	100000000	94400000	111000000	88300000	108000000	114000000	101000000	111000000	116000000	100000000	104000000	100000000	109000000	107000000	103000000	105000000	100000000	100000000	108000000	111000000	115000000	97100000	105000000	105000000	99700000	101000000	96100000	106000000
BUTYROBETAINE	3-Dehydroxycarnitine	66700000	38200000	63600000	96200000	52200000	54300000	40700000	63400000	57500000	90500000	74800000	71300000	54100000	62000000	61800000	46000000	120000000	74000000	45600000	90900000	47200000	38900000	37900000	23100000	26900000	75100000	45300000	40900000	65900000	99200000	62900000	109000000	48100000	49800000	54000000	49000000	81400000	57900000	83600000	67200000
Caffeine-D3	Caffeine	27300000	25500000	27800000	27100000	27500000	27300000	29700000	28100000	27200000	27700000	28200000	25900000	26800000	26000000	27600000	25100000	27900000	29400000	26300000	30200000	28900000	29300000	26000000	25800000	21400000	27600000	27100000	28300000	25300000	26600000	30200000	24000000	29100000	26300000	29700000	28800000	27000000	28300000	27100000	30100000
Camphor	Camphor	131000	165000	134000	130000	163000	162000	153000	143000	125000	165000	161000	140000	127000	145000	144000	136000	139000	127000	163000	112000	131000	189000	140000	135000	150000	153000	153000	147000	140000	158000	150000	135000	142000	132000	188000	144000	142000	134000	138000	138000
Chenodeoxycholyglycine (GCDCA)_R1	Glycochenodeoxycholic acid	55500	41800	252000	144000	459000	124000	64300	509000	71200	12800	25900	54700	178000	468000	1800000	179000	102000	26100000	243000	489000	52000	146000	109000	12900	29800	660000	28800	532000	12000000	173000	80200	338000	462000	2500000	413000	91200	130000	31700	7480	204000
Chenodeoxycholyglycine (GCDCA)_R2	Glycochenodeoxycholic acid	38800	23300	156000	86800	228000	66000	38600	243000	36400	9460	9750	35900	102000	216000	813000	83600	58900	12900000	109000	258000	25700	70700	66500	9050	7420	429000	9790	424000	5830000	98000	47800	168000	233000	1100000	196000	35000	55600	20700		117000
Chenodeoxycholyglycine (GCDCA)_R3	Glycochenodeoxycholic acid	65500	32900	170000	60300	425000	67200	43300	508000	64100	23600	11300	50100	55800	435000	1500000	134000	74100	19800000	212000	414000	82400	113000	87400	6210	10500	333000	24400	252000	5650000	114000	66800	281000	380000	2090000	469000	46000	102000	23100	5510	130000
Choline	Choline	135000000	126000000	83300000	123000000	113000000	86600000	100000000	105000000	99000000	98000000	110000000	90400000	130000000	113000000	135000000	99400000	104000000	268000000	97000000	86800000	88800000	102000000	108000000	77000000	108000000	129000000	116000000	127000000	95300000	163000000	113000000	104000000	144000000	84200000	101000000	106000000	106000000	98300000	119000000	88100000
CITRAMALATE	Citramalic acid	14100	55100	6860	40500	48300	25300	28500	12600	6560	7950	11400	14700	30200	14200	8210	16400	13600	108000	10500	24600	12000	66300	33300	18300	33400	19600	38900	29900	13600	11000	13900	9740	11300	12600	22300	11000	12600	35800	12900	61700
CITRATE_R1	Citric acid	230000	39600000	306000	340000	42300000	34900000	40000000	300000	235000	390000	406000	261000	586000	201000	128000	255000	221000	9730000	350000	420000	314000	33100000	37400000	59900000	46600000	379000	42000000	38000000	242000	427000	293000	211000	243000	203000	351000	383000	238000	854000	263000	488000
CITRATE_R2	Citric acid	84200	8130000	113000	127000	8550000	6860000	8380000	99500	86100	137000	136000	95600	211000	71300	37500	100000	74200	2680000	123000	130000	107000	7050000	7650000	12000000	9230000	124000	8500000	7920000	89000	138000	132000	71500	79700	70100	114000	120000	88300	312000	100000	164000
CITRULLINE	Citrulline	9200000	9660000	7490000	18200000	10500000	13500000	12500000	15500000	7440000	15000000	10500000	9800000	24800000	9950000	11300000	6010000	8750000	30500000	7430000	15400000	20800000	4460000	9350000	4760000	8540000	9930000	8480000	7670000	11300000	14400000	9200000	12100000	12300000	9090000	8510000	16200000	9620000	14600000	21700000	13900000
CREATINE	Creatine	292000000	472000000	239000000	277000000	191000000	226000000	471000000	313000000	167000000	333000000	470000000	290000000	307000000	207000000	492000000	264000000	989000000	232000000	473000000	308000000	347000000	209000000	138000000	318000000	180000000	126000000	163000000	325000000	400000000	236000000	626000000	427000000	337000000	105000000	355000000	135000000	570000000	127000000	424000000	200000000
Creatine-D3	Creatine	15500000	14100000	14600000	15200000	16600000	17600000	15700000	16000000	16500000	15200000	15400000	15700000	16500000	15800000	14800000	11800000	12600000	15500000	14600000	17700000	14000000	17000000	15900000	16500000	16300000	13700000	17000000	16400000	11700000	15700000	16100000	16400000	16500000	17900000	18100000	13800000	13800000	15500000	14500000	17900000
CREATININE	Creatinine	484000000	401000000	501000000	966000000	545000000	468000000	493000000	532000000	616000000	585000000	823000000	544000000	560000000	540000000	423000000	556000000	587000000	1080000000	421000000	799000000	655000000	537000000	590000000	325000000	374000000	1360000000	547000000	723000000	440000000	652000000	530000000	686000000	391000000	501000000	449000000	414000000	771000000	599000000	712000000	581000000
Decanoylcarnitine	CAR 10:0	1580000	1010000	1440000	3070000	2270000	697000	1050000	1090000	1810000	3410000	1170000	1280000	1940000	967000	612000	1090000	1650000	1090000	1420000	1740000	1150000	1130000	1040000	397000	811000	3710000	1260000	1660000	564000	2260000	704000	1580000	748000	435000	731000	2330000	2820000	3280000	4610000	1090000
D-(+)-GALACTOSAMINE	Galactosamine		299000	20300	39300	362000	126000	141000	77300	75200		32600	188000	715000	88900	30500	20900		220000		1150000	42400	280000	77100	171000	96500	145000	124000	137000	222000	62900	68200	495000	28800	314000	125000	108000				
D-GLUCOSAMINE 6-PHOSPHATE	Glucosamine 6-phosphate	179000	30500	245000	390000	40900	35100	43400	237000	278000	174000	158000	150000	113000	145000	156000	308000	540000	149000	231000	168000	251000	51700	56300	20300	39900	154000	41700	56400	123000	219000	456000	337000	288000	263000	222000	125000	450000	284000	275000	284000
Dibutyl phthalate	Dibutyl phthalate	3730000	3750000	4580000	3840000	3810000	3630000	4590000	3660000	4500000	3850000	3910000	3700000	3670000	3840000	3910000	3920000	4020000	4710000	3780000	4140000	4450000	3820000	3410000	3750000	3620000	3610000	4090000	3620000	4150000	4020000	4390000	4370000	4180000	3680000	4050000	3670000	3810000	3430000	3840000	4960000
DIHYDROXYACETONE PHOSPHATE	Dihydroxyacetone phosphate	295000	29500	252000	123000	42500	37200	37300	201000	215000	166000	201000	214000	187000	178000	183000	173000	236000	369000	218000	246000	260000	50100	37100	51900	47400	274000	43800	37700	137000	197000	278000	306000	222000	169000	235000	179000	189000	166000	185000	238000
Diphenylamine	Diphenylamine	131000	98400	136000	98000	112000	109000	99800	103000	132000	101000	128000	131000	93800	147000	119000	124000	113000	143000	112000	105000	111000	81800	90100	89200	151000	125000	107000	109000	158000	120000	123000	142000	147000	115000	170000	101000	87700	100000	123000	152000
Dipropylene glycol		2360000	5040000	2460000	1540000	6220000	3990000	6860000	3620000	3030000	1500000	2330000	2000000	2590000	4530000	3960000	1600000	2830000	3650000	2070000	2500000	3610000	8940000	12200000	4730000	6460000	2050000	10100000	4650000	2560000	6320000	13100000	2250000	5100000	4380000	2060000	2110000	2130000	2700000	1470000	2080000
Dipropyleneglycol dibenzoate		212000	194000	229000	199000	212000	197000	208000	203000	202000	206000	205000	190000	196000	217000	213000	197000	202000	236000	176000	234000	208000	214000	182000	198000	204000	206000	202000	189000	204000	207000	221000	214000	224000	185000	215000	200000	226000	174000	187000	219000
Dipropyl phthalate	Dipropyl phthalate	213000	188000	216000	170000	164000	183000	224000	167000	215000	193000	205000	202000	194000	176000	196000	222000	200000	188000	177000	207000	205000	172000	194000	163000	180000	202000	198000	185000	197000	193000	208000	214000	198000	183000	199000	183000	185000	204000	190000	203000
DL-5-HYDROXYLYSINE	5-Hydroxylysine		4690	302000	17000	18100	7170	16500	314000	200000		82700	304000	121000	199000	92600	88900	43900			188000	49700		20600	8310	8900	41200	15900	5880		32400	14600	276000	529000	102000	66900	119000			56600	
D-Ribose	Ribose	261000	501000	350000	848000	450000	242000	275000	317000	472000	202000	684000	355000	478000	265000	274000	407000	262000	537000	396000	527000	439000	376000	276000	314000	382000	599000	582000	489000	483000	542000	177000	569000	398000	429000	398000	648000	438000	443000	431000	1170000
Formylkynurenine	N-Formyl-L-kynurenine	1560000	1340000	1430000	1590000	1440000	1560000	1510000	1990000	1920000	965000	1820000	1010000	1300000	1240000	1120000	1590000	1200000	1510000	1930000	1530000	1750000	3490000	1290000	1610000	1500000	1400000	3990000	3700000	1250000	4370000	4230000	3020000	1720000	3400000	3340000	1530000	1470000	1440000	3000000	3690000
Galaxolidone	Galaxolidone	161000	142000	192000	166000	164000	170000	192000	135000	169000	174000	157000	165000	151000	139000	156000	150000	193000	189000	186000	185000	183000	177000	142000	179000	145000	154000	174000	170000	159000	174000	179000	209000	152000	163000	156000	176000	167000	160000	156000	220000
Gallic Acid	Gallic acid	64000	51300	62400	53900	54500	68400	62700	54700	71300	65200	58500	54500	55400	54500	54500	66400	58200	76300	53600	60700	71900	54200	60700	57200	66700	75700	72900	58600	53500	55800	85300	585000	60800	51900	53100	57700	63900	50600	55700	61400
GLUCONIC ACID/D-GULONIC ACID GAMA-LACTONE	Gluconic acid/Gulonolactone	31200	1360000	181000	79600	2350000	2330000	3390000	265000	366000	110000	632000	154000	16400000	161000	32600	37800		3180000	1030000	23300000	9590000	190000	1830000	311000	1480000	12400000	432000	3260000	19100000	339000	242000	51200	538000	794000	5630000	15800000	57700	51200	55500	10200000
GLUCOSAMINE/MANNOSAMINE_R1		2380000	2340000	2450000	2520000	1780000	2030000	2420000	1670000	2160000	2020000	1690000	2400000	2180000	1630000	2040000	2290000	1890000	1250000	2010000	1840000	2440000	2330000	1980000	2070000	2070000	1450000	2350000	1460000	1990000	1970000	2880000	2070000	1570000	2250000	2400000	1830000	2490000	1900000	2190000	2750000
GLUCOSAMINE/MANNOSAMINE_R2		401000	351000	378000	574000	158000	417000	266000	247000	244000	262000	252000	318000	388000	119000	281000	423000	335000	189000	332000	359000	411000	328000	315000	233000	214000	256000	398000	216000	314000	357000	963000	494000	245000	312000	449000	329000	451000	335000	117000	564000
GLUTARATE	Glutaric acid	24600	22300	31200	24500	28300	34900	22500	19900	21600	20100	21900	18100	28400	18300	18200	26500	19500	76900	56500	25800	17400	24600	26500	43100	43400	31800	46500	50000	103000	18500	23300	16100	13900	15700	16100	168000	18800	25300	22800	23300
GLYCEROL	Glycerol	1840000	1630000	780000	765000	1480000	1130000	1180000	1580000	913000	1830000	3120000	911000	3480000	2880000	897000	1650000	764000	8530000	2180000	891000	1420000	1600000	1270000	1200000	1750000	1190000	895000	1320000	10100000	2250000	6170000	1190000	2410000	1000000	2760000	1220000	1110000	1390000	1440000	675000
Glycerophosphocholine	sn-Glycero-3-phosphocholine	63900000	48300000	37900000	27200000	21700000	32700000	30300000	13000000	36800000	21200000	44200000	31400000	57400000	45200000	30700000	25200000	14200000	74500000	39600000	82900000	72600000	18700000	19500000	12100000	17600000	94700000	23800000	25000000	99700000	33000000	41300000	24500000	12800000	19700000	55600000	56300000	25600000	22800000	31200000	61400000
GLYCOCHOLATE	Glycocholic acid					27500			171000					22800	29200	27000			684000			9970					12400			2040000					70000	9800	44600				168000
Glycocholic Acid (GCA)_R1	Glycocholic acid	70000	72400	165000	226000	1100000	123000	61700	271000	79400	7400	25800	83000	85000	604000	1910000	21200	93000	21200000	155000	344000	70300	305000	119000	25200	24500	1090000	29100	1610000	23900000	190000	77800	438000	246000	3500000	1020000	38700	101000	32900	19600	145000
Glycocholic Acid (GCA)_R2	Glycocholic acid	11400	7760	27500	50900	272000		10000	69000	23800			22700	21300	138000	425000		11800	5340000	46600	91200	11800	76600	30200			259000	8090	380000	777000	45100	5290	103000	54700	837000	236000	30300	20800			44300
Glycocholic Acid (GCA)_R3	Glycocholic acid	11900	20000	26900	38900	186000	39700	7810	44600	9500	9230		8880	32000	103000	272000	29100	11900	3570000	30800	57800	7510	55300	37400		11300	184000	37900	272000	4380000	27200	8160	71300	45200	592000	155000	53600	36400	26200	6830	25500
Glycocholic Acid (GCA)_R4	Glycocholic acid		7730	11200	20400	122000	12300		32000	7450				6710	57300	175000		6180	2050000	12700	40200	7170	32900	6920			118000		147000	2440000	23900	9560	40800	29100	308000	99100		9650			10100
Glycocholic Acid (GCA)_R5	Glycocholic acid	10300	5670	19800	21100	81500	8980		26000				6320	7550	61300	176000		6320	1470000	13200	42600		28600	10200			81800		126000	1830000	21200		35000	20000	272000	76900		5790			11300
Glycocholic Acid (GCA)_R6	Glycocholic acid	33800		9250	6710		11700		21500					11200					208000					10500			47900		10200	228000						28500	53600				7080
Glycodeoxycholic acid (GDCA)	Glycodeoxycholic acid		5950	34300		77800	11700		80500	12100			7800	11900	76300	258000	25500	7300	4140000	33600	83200	9430	24800	9550			69800		45600	1130000	13200	8760	64100	67700	356000	51500		21100			25700
Glycoursodeoxycholic acid (G-UDCA)_R1	Glycoursodeoxycholic acid	100000	220000	224000	76400	44200	146000	125000	94400	83200	21500	28800	78400	202000	137000	97800	84500	111000	515000	45000	126000	53700	196000	104000	115000	60600	375000	109000	221000	4670000	214000	58100	146000	81200	27900	25600	87000	46200	48600	24400	643000
Glycoursodeoxycholic acid (G-UDCA)_R2	Glycoursodeoxycholic acid	125000	25200	145000	62500	107000	41800	73000	152000	18400			10600	116000	223000	444000	46200	65700	1460000	27800	129000	7610	41300	70700		8330	386000	10900	165000	4590000	70100	13200	62400	310000	220000	52400	70000	27300	12500	6180	234000
Glycoursodeoxycholic acid (G-UDCA)_R3	Glycoursodeoxycholic acid	10700	5820	52500	21900	131000	38500	29300	240000	36500		9040	6860	29600	364000	780000	56200	30200	2580000	21200	192000	90600	12700	23300		6550	78800	43000	99700	2030000	30400		94100	577000	451000	106000	370000	29700	69500		142000
Glycoursodeoxycholic acid (G-UDCA)_R4	Glycoursodeoxycholic acid	10800	8680	70300	24500	187000	26600	31600	225000	25000		7660	5690	37500	367000	853000	45800	34100	2630000	22300	204000	45200	12500	25900			104000	13000	152000	2050000	45000	6230	90900	559000	433000	89200	167000	30300	38600	5180	229000
Glycoursodeoxycholic acid (G-UDCA)_R5	Glycoursodeoxycholic acid	117000		90700	53900	107000	31500	32200	152000	13100			6530	32600	223000	485000	34600	21600	1510000	8590	125000	6530	6370	18900			88600		30800	1240000	19500		48300	310000	220000	52400	53900	10400	5990		45300
HEXOSE-DISACCHARIDE	Hexose disaccharide	1270000	177000	1020000	11400000	202000	160000	348000	259000	704000	715000	1150000	761000	464000	1410000	956000	2550000	1370000	3830000	773000	1820000	474000	1430000	3810000	135000	259000	724000	1470000	153000	1190000	801000	14900000	2780000	1840000	847000	979000	4940000	2970000	1640000	1470000	1500000
Hippuric Acid	Hippuric acid	121000000	3900000	5130000	13000000	887000	3010000	1390000	3790000	1560000	3250000	10500000	4570000	2230000	15200000	970000	15600000	1570000	42200000	1690000	2680000	3810000	14600000	101000000	9230000	3210000	33700000	4340000	11600000	56700000	3210000	14900000	1080000	2630000	16800000	3570000	15700000	1250000	11000000	28900000	9170000
Hydroxyhippuric acid	Hydroxyhippuric acid	3360000	249000	332000	742000	66100	233000	104000	247000	104000	209000	655000	293000	140000	843000	67700	838000	109000	1890000	105000	184000	230000	864000	2940000	593000	214000	1370000	257000	657000	2380000	234000	886000	77200	170000	949000	245000	880000	86900	629000	1410000	574000
Hypoxanthine	Hypoxanthine	134000	74500	77400	851000	29100	8520	42200	47000	42100	370000	92000	32800	39400	82200	157000	87500	1040000	43000	42500	29000	282000	208000	7420	12900	20000	38800	19900	51100	8010	149000	135000	345000	437000	374000	255000	49900	461000	27900	78000	2150000
HYPOXANTHINE	Hypoxanthine	16300000	28900000	9320000	19100000	15800000	32600	11900000	9910000	10900000	18000000	17600000	9120000	8850000	8730000	10200000	14300000	28400000	91100	15600000	3820000	28900000	20200000	42500	3810000	11000000	43700	10500000	10300000	798000	9730000	3660000	15600000	32000000	18300000	15500000	3960000	22300000	9810000	13000000	24700000
INDOLE-3-ACETATE	Indoleacetic acid	7610	7870	23800	214000	28200	8230	28100	23500	20900	21800	26500	38000	24900	10600	9930	25500	14000	287000	32100	27400	11100	14700	9010	31000	33900	101000	13200	17700	9970	33700	30400	10700	7780	13700	11900	11200	23000	51100	18900	10100
Iohexol	Iohexol	3430000		40000000	112000	33100	4920	12200000	2070000	807000	105000000	52000000	14900000	31700	6220000		7290	10400	19400	18600000	28400000	15800	4130000	2460000	8710000	6710	66500000	8280	49200000	51800000	8040000	7150000		5900000	2170000	5840000	53600000			97700000	52300000
Isobutyrylcarnitine	CAR 3:0;2Me	4350000	3330000	3960000	18500000	4550000	2350000	3420000	4270000	1990000	3950000	3500000	3210000	3130000	1400000	2220000	3700000	4740000	10700000	4320000	8100000	2990000	5680000	8110000	1230000	3060000	5310000	1120000	2990000	6270000	5130000	3060000	4070000	3130000	816000	3420000	5610000	15000000	9540000	5140000	3390000
Isovalerylcarnitine	CAR 4:0;3Me	2160000	1080000	2230000	4410000	2790000	2340000	2660000	3190000	1710000	2990000	1220000	1510000	1530000	1040000	1550000	2810000	42300000	3250000	2550000	3110000	2130000	1840000	718000	432000	1040000	3360000	858000	1600000	1150000	3050000	2520000	2700000	1110000	646000	1430000	1770000	4200000	3360000	1870000	1600000
Kynurenic Acid	Kynurenic acid	476000	114000	256000	2200000	550000	318000	392000	342000	207000	442000	353000	193000	225000	228000	140000	888000	478000	6840000	394000	735000	465000	332000	694000	125000	251000	2270000	257000	484000	192000	762000	271000	228000	167000	84700	208000	394000	1020000	816000	362000	540000
L-Acetylcarnitine	CAR 2:0	47100000	36400000	40900000	97100000	59300000	37500000	44600000	30700000	27200000	67700000	43900000	33000000	33100000	65500000	54000000	24000000	43500000	63900000	57100000	36600000	41700000	36400000	30000000	22300000	38100000	55000000	10900000	53700000	24100000	61300000	22700000	36700000	23900000	14300000	21400000	39100000	64200000	41100000	59100000	32800000
L-ARGININE	Arginine	27600000	30400000	35700000	22000000	29800000	35600000	29300000	43600000	28200000	34100000	23300000	36500000	21000000	26100000	33400000	12400000	23200000	447000	22500000	33600000	23500000	38100000	20200000	18100000	22200000	24000000	21900000	27800000	11900000	41200000	42600000	36800000	30100000	17900000	30900000	13800000	32500000	24300000	37200000	26400000
L-ASPARAGINE	Asparagine	1050000	1320000	984000	779000	1450000	1730000	1080000	1730000	1210000	1920000	1140000	1340000	1330000	1320000	1180000	845000	1710000	1370000	887000	1530000	932000	1300000	1210000	913000	1100000	1500000	1140000	1140000	728000	1710000	1300000	1060000	1210000	804000	1600000	1470000	1560000	1650000	1570000	950000
L-CARNITINE	Carnitine	476000000	224000000	369000000	498000000	383000000	320000000	368000000	417000000	375000000	815000000	533000000	485000000	399000000	376000000	475000000	252000000	812000000	337000000	393000000	388000000	398000000	280000000	233000000	126000000	198000000	358000000	193000000	342000000	410000000	715000000	420000000	760000000	349000000	225000000	394000000	411000000	626000000	397000000	627000000	452000000
L-Carnitine (trimethyl-D9)	Carnitine	36600000	7230000	25100000	20300000	21500000	24900000	26400000	15800000	27300000	18100000	11500000	30300000	7430000	24100000	14300000	5650000	11300000	35600000	29900000	21800000	30600000	16600000	24400000	18600000	33100000	28100000	64900000	22400000	5640000	24000000	35600000	92200000	6880000	27500000	37000000	11500000	19700000	15800000	42700000	32500000
L-CYSTEIC ACID	Cysteic acid	155000	139000	265000	154000	126000	150000	253000	388000	237000	187000	255000	269000	253000	265000	272000	94200	290000	362000	55600	88400	163000	225000	135000	258000	191000	71500	198000	470000	89900	191000	362000	179000	305000	216000	231000	166000	278000	42900	143000	280000
Levofloxacin	Ofloxacin																49200		5870					33000000		12600								8620				10500			
L-GLUTAMINE	Glutamine	139000000	245000000	129000000	151000000	212000000	275000000	299000000	131000000	128000000	205000000	109000000	130000000	230000000	143000000	122000000	102000000	124000000	272000000	72900000	197000000	222000000	280000000	268000000	254000000	120000000	122000000	160000000	207000000	144000000	122000000	146000000	131000000	131000000	152000000	191000000	252000000	124000000	109000000	142000000	183000000
L-HISTIDINE	Histidine	55000000	43500000	47000000	33900000	49600000	58100000	55800000	47300000	36400000	57000000	57100000	44700000	46300000	32900000	43900000	37100000	45900000	106000000	65300000	57300000	65500000	44700000	55600000	23500000	48400000	51400000	42400000	50600000	17700000	71400000	50600000	50600000	50600000	40900000	57100000	53500000	46700000	56600000	51400000	94700000
Lidocaine	Lidocaine	2390000	289000	3970000	3590000	1070000	3540000	19900000	797000	21700000	58100000	11700000	33000000	13800000	789000	22400000	1120000	83000	471000	4940000	916000	58300000	317000	119000	318000	2450000	1140000	4930000	26500000	11600	53100000	17300000	8370000	414000	12400000	6800000	33600000	3850000	8450	136000000	2060000
L-Isoleucine	Isoleucine	180000000	210000000	302000000	126000000	151000000	354000000	163000000	480000000	192000000	389000000	291000000	220000000	103000000	356000000	189000000	91600000	319000000	196000000	117000000	291000000	152000000	195000000	156000000	124000000	127000000	571000000	161000000	262000000	83600000	375000000	285000000	197000000	238000000	113000000	193000000	89800000	336000000	139000000	277000000	113000000
L-KYNURENINE	Kynurenine	12100000	2600000	10500000	31300000	15600000	10700000	17600000	8120000	8380000	8830000	8400000	9100000	8580000	5280000	6620000	23500000	14600000	50500000	9710000	16100000	15400000	6460000	18400000	2840000	11800000	24100000	9450000	15600000	11400000	16100000	9860000	6290000	11600000	3470000	9280000	16500000	16800000	30900000	14000000	12300000
LL-2_6-DIAMINOHEPTANEDIOATE	2,6-Diaminopimelic acid	389000	185000	488000	703000	355000	277000	212000	574000	439000	800000	406000	279000	117000	274000	341000	411000	610000	1430000	320000	397000	689000	228000	359000	232000	236000	794000	289000	367000	309000	662000	166000	583000	551000	372000	725000	558000	760000	813000	781000	373000
L-(+)-Lactic Acid	Lactic acid	191000	447000	165000	363000	360000	163000	298000	149000	146000	138000	161000	318000	185000	523000	147000	156000	189000	167000	169000	153000	227000	127000	174000	124000	218000	153000	145000	78500	193000	136000	214000	180000	132000	245000	216000	381000	226000	148000	153000	229000
L-LEUCINE	Leucine	458000000	370000000	603000000	310000000	528000000	613000000	504000000	619000000	426000000	566000000	376000000	479000000	418000000	558000000	566000000	335000000	580000000	668000000	510000000	520000000	511000000	400000000	359000000	228000000	398000000	849000000	384000000	457000000	326000000	588000000	557000000	383000000	530000000	347000000	479000000	417000000	526000000	591000000	528000000	345000000
L-Leucine 13C6	Leucine	34000000	34700000	28400000	35000000	32700000	32200000	32700000	29000000	31100000	30100000	36200000	30600000	33000000	29600000	30400000	29500000	31400000	30300000	31500000	32900000	32100000	34900000	35700000	38000000	34300000	24700000	34500000	34400000	34800000	30300000	32400000	31100000	33500000	34700000	33500000	35300000	30400000	30500000	31300000	36700000
L-Leucine-D10	Leucine	21700000	20600000	21700000	18900000	23600000	24600000	22400000	22000000	19700000	22700000	21900000	21700000	20800000	20600000	22200000	16400000	22800000	23600000	22100000	22700000	22300000	21100000	21200000	19300000	20600000	24000000	20300000	22000000	19700000	23100000	23500000	18200000	23000000	20300000	22800000	22100000	22500000	22900000	22300000	22400000
L-LYSINE	Lysine	3500000	1530000	3800000	2180000	2650000	2400000	1910000	2710000	2560000	2910000	2170000	2170000	2490000	2730000	1830000	1740000	2900000	3570000	2100000	3640000	3330000	1800000	1300000	972000	1310000	2550000	1500000	1760000	1300000	2630000	3720000	3760000	2570000	1300000	3170000	1890000	3280000	2670000	2790000	2250000
L-METHIONINE_R1	Methionine	50900000	11500000	12700000	26200000	22600000	52700000	17400000	4280000	9170000	60100000	19700000	5370000	9910000	12800000	12500000	19400000	105000000	96600000	24900000	63400000	25700000	9080000	47500000	1900000	1740000	47200000	5460000	24900000	13700000	42700000	95500000	30800000	6230000	6450000	62300000	17200000	96200000	53200000	62600000	21300000
L-METHIONINE_R2	Methionine	829000	491000	924000	2220000	370000	442000	530000	654000	744000	688000	1000000	963000	690000	829000	537000	851000	940000	964000	708000	1060000	809000	536000	532000	340000	539000	1780000	416000	1030000	467000	2100000	733000	923000	748000	737000	803000	859000	1300000	1290000	1750000	1050000
L-Phenylalanine	Phenylalanine	560000000	397000000	544000000	385000000	508000000	566000000	545000000	604000000	592000000	559000000	405000000	538000000	441000000	449000000	530000000	401000000	619000000	688000000	438000000	570000000	509000000	500000000	422000000	239000000	398000000	588000000	455000000	436000000	390000000	611000000	767000000	573000000	559000000	366000000	530000000	511000000	581000000	636000000	505000000	397000000
L-Phenylalanine 13C6	Phenylalanine	38900000	38400000	39200000	36800000	39000000	39000000	41200000	33400000	37400000	35500000	41100000	37600000	37700000	36400000	36400000	32400000	37200000	38500000	37800000	40800000	42800000	38200000	39300000	40500000	38400000	36700000	39200000	40600000	37900000	36400000	36700000	39000000	39000000	37400000	40500000	38700000	35900000	32700000	34900000	43000000
L-PROLINE	Proline	909000000	460000000	436000000	612000000	643000000	1060000000	555000000	584000000	617000000	528000000	500000000	509000000	718000000	585000000	457000000	415000000	900000000	1640000000	360000000	675000000	752000000	367000000	616000000	175000000	391000000	546000000	523000000	533000000	482000000	538000000	678000000	702000000	765000000	470000000	598000000	820000000	737000000	756000000	1140000000	464000000
L-SERINE	Serine	740000	1240000	1280000	454000	969000	1430000	1530000	1190000	1300000	1370000	1120000	192000	1320000	1170000	1450000	470000	1180000	44600	858000	678000	1000000	1140000	849000	236000	1070000	973000	938000	1310000	524000	1620000	1200000	939000	255000	1030000	1140000	942000	988000	1370000	1110000	630000
L-Tryptophan	Tryptophan	212000000	116000000	372000000	235000000	225000000	409000000	412000000	426000000	307000000	516000000	338000000	373000000	281000000	296000000	321000000	256000000	373000000	403000000	296000000	274000000	487000000	201000000	259000000	83800000	254000000	344000000	276000000	235000000	196000000	439000000	446000000	250000000	306000000	200000000	250000000	266000000	323000000	593000000	362000000	281000000
L-Tryptophan-NH3		56700000	31700000	95500000	66000000	61600000	112000000	111000000	119000000	81000000	144000000	91600000	102000000	79300000	79100000	87900000	67900000	100000000	107000000	82200000	71800000	128000000	56200000	70800000	22300000	68400000	93800000	72400000	63300000	53900000	120000000	118000000	66200000	80700000	54900000	66800000	73200000	89000000	165000000	100000000	72500000
L-Tyrosine 13C6	Tyrosine	10600000	10100000	11000000	9260000	10500000	11000000	10700000	9570000	10600000	9930000	10600000	10100000	9940000	9510000	9920000	8290000	10600000	10600000	9750000	11000000	11200000	9940000	10400000	9610000	10200000	9530000	9790000	10900000	9300000	9910000	11100000	10100000	10600000	9740000	11200000	10700000	9580000	9560000	9510000	11500000
L-VALINE/5-AMINOPENTANOATE/L-NORVALINE		819000000	567000000	1060000000	653000000	879000000	952000000	858000000	1000000000	716000000	879000000	699000000	831000000	767000000	990000000	1040000000	663000000	923000000	966000000	910000000	826000000	1010000000	598000000	641000000	429000000	726000000	1210000000	701000000	774000000	574000000	883000000	869000000	794000000	1010000000	595000000	844000000	857000000	827000000	1080000000	850000000	635000000
LysoPC (16:0)_R1	LPC 16:0	74200000	27100000	61100000	42900000	30200000	29900000	33200000	54200000	67300000	46200000	72500000	62000000	33600000	71700000	65300000	25400000	33400000	80400000	68600000	52700000	75200000	14600000	14200000	24000000	31000000	58500000	47300000	57800000	99500000	93100000	57900000	51500000	28700000	26300000	56500000	24100000	60000000	34200000	67200000	73800000
LysoPC (16:0)_R2	LPC 16:0	8370000	2340000	6010000	4640000	2860000	2750000	3070000	5830000	6870000	4690000	8060000	6670000	3500000	7810000	7330000	2380000	3410000	9180000	6920000	6130000	8480000	1470000	1440000	2220000	3030000	5760000	4870000	6020000	11900000	11000000	6490000	5080000	3240000	2930000	6060000	2480000	6770000	3540000	8010000	8680000
LysoPC (16:0)_R3	LPC 16:0	3840000	2660000	4330000	3300000	2740000	2760000	3220000	3430000	4210000	3260000	3480000	3460000	3130000	3580000	3310000	2650000	3130000	4980000	3430000	3620000	4190000	1090000	1280000	2430000	2760000	3360000	3500000	3420000	4320000	4080000	3810000	3790000	2750000	2640000	3400000	2370000	3540000	3070000	3390000	3980000
LysoPC (16:0)_R4	LPC 16:0	496000	2700000	295000	237000	2740000	2810000	3280000	322000	332000	236000	546000	370000	167000	469000	416000	2710000	184000	593000	385000	334000	458000	1170000	1340000	2460000	152000	305000	262000	326000	1090000	900000	372000	262000	2740000	2760000	332000	2550000	402000	192000	508000	506000
LysoPC (16:1)_R1	LPC 16:1	1890000	589000	833000	1240000	522000	429000	538000	654000	1390000	1000000	1360000	886000	652000	1400000	1360000	626000	676000	1920000	1600000	993000	1520000	275000	417000	261000	577000	850000	729000	731000	5180000	3600000	1010000	1220000	623000	599000	1350000	423000	1410000	555000	1790000	2990000
LysoPC (16:1)_R2	LPC 16:1	633000	143000	184000	191000	285000	147000	330000	143000	586000	363000	465000	282000	210000	578000	290000	152000	168000	524000	263000	330000	956000	82500	145000	215000	239000	452000	394000	135000	809000	418000	364000	205000	145000	150000	251000	125000	361000	202000	285000	591000
LysoPC (18:0)_R1	LPC 18:0	16000000	5080000	12200000	9380000	6700000	6340000	7500000	12100000	16700000	6550000	16700000	17200000	7120000	14400000	15200000	5970000	5500000	25300000	15100000	11500000	20300000	2940000	2620000	4350000	4660000	11700000	14100000	11300000	15800000	18900000	8860000	10800000	7200000	7400000	12400000	6790000	11100000	7300000	12000000	21700000
LysoPC (18:0)_R2	LPC 18:0	1430000	421000	1220000	918000	643000	585000	714000	1200000	1680000	609000	1670000	1590000	717000	1470000	1440000	521000	524000	2270000	1410000	1220000	2110000	274000	248000	443000	448000	1020000	1350000	1060000	1490000	1850000	930000	10700000	747000	823000	1210000	692000	1170000	688000	1090000	2370000
LysoPC (18:2)_R1	LPC 18:2	5950000	2220000	5230000	4860000	3110000	2480000	2350000	7450000	7980000	5450000	7750000	6030000	4230000	11400000	7050000	2830000	3070000	11900000	5080000	6020000	8450000	1150000	1160000	2360000	3000000	5150000	4880000	4260000	9900000	10300000	4270000	5170000	4500000	3730000	15400000	2440000	4590000	2960000	4260000	6890000
LysoPC (18:2)_R2	LPC 18:2	972000	419000	861000	764000	801000	525000	394000	1240000	8300000	895000	1270000	1050000	828000	11500000	1320000	382000	612000	1990000	957000	898000	1170000	281000	1160000	2350000	523000	5340000	4950000	4300000	3480000	1510000	4270000	820000	744000	3750000	1980000	2420000	946000	706000	4280000	6910000
LysoPC (20:4)	LPC 20:4	598000	115000	266000	344000	164000	92800	132000	389000	348000	234000	748000	351000	223000	782000	505000	136000	154000	978000	401000	363000	521000	63200	69300	101000	149000	380000	216000	229000	1310000	1580000	242000	342000	210000	147000	551000	123000	317000	178000	583000	956000
LysoPE (18:0)	LPE 18:0	2490000	454000	1380000	1070000	791000	530000	633000	1020000	2000000	819000	2110000	1390000	1030000	2190000	1740000	634000	789000	4250000	909000	1540000	1620000	333000	364000	359000	198000	2290000	950000	737000	2380000	2330000	1280000	1740000	979000	1200000	1580000	552000	1800000	809000	2070000	1400000
LysoPE (18:1)	LPE 18:1	698000	142000	320000	444000	333000	140000	235000	489000	129000	328000	724000	283000	471000	980000	520000	230000	320000	1560000	297000	493000	621000	93100	114000	74000	97500	711000	111000	188000	843000	1120000	327000	602000	557000	306000	1860000	154000	588000	255000	804000	468000
LysoPE (20:4)_R1	LPE 20:4	642000	251000	500000	567000	484000	230000	464000	897000	763000	417000	858000	596000	589000	1430000	795000	246000	429000	1410000	655000	608000	654000	171000	189000	235000	255000	1060000	558000	386000	2480000	1370000	580000	961000	1010000	657000	5490000	325000	540000	527000	680000	850000
LysoPE (20:4)_R2	LPE 20:4	379000	139000	275000	487000	257000	174000	174000	554000	153000	318000	635000	596000	589000	472000	588000	162000	268000	342000	655000	283000	393000	115000	183000	190000	255000	610000	289000	205000	2600000	431000	766000	270000	301000	657000	961000	325000	441000	527000	680000	850000
LysoPE (22:6)	LPE 22:6	217000	218000	347000	292000	346000	163000	207000	499000	384000	302000	517000	515000	242000	755000	395000	104000	234000	838000	254000	404000	335000	111000	105000	459000	119000	804000	428000	302000	1010000	565000	240000	356000	580000	270000	6890000	241000	239000	176000	248000	455000
Methionine Sulfoxide	Methionine sulfoxide	8900000	27300000	14700000	2070000	20400000	34700000	33800000	19900000	20800000	10300000	10400000	26900000	28900000	15800000	14400000	2720000	5360000	1790000	2850000	9630000	17700000	32400000	8420000	17000000	22000000	8450000	31100000	16600000	3130000	11100000	3130000	13700000	15800000	13300000	8040000	26600000	5940000	7070000	9670000	8520000
METHYL INDOLE-3-ACETATE	Indole-3-methyl acetate	744000		1180000	487000	224000	400000	169000	477000	301000	308000	284000	567000	527000	644000	149000	1830000	250000	2920000	202000	120000	308000	176000	359000	51300	322000	1410000	466000		7650000	700000	188000	118000	379000	3700000	646000	1180000	131000	1560000	331000	569000
METHYL JASMONATE	Methyl jasmonate	101000	86900	86700	91600	97300	92500	101000	106000	95900	99600	90700	105000	83000	92900	86600	103000	91200	101000	106000	104000	101000	101000	104000	70600	98900	91300	95100	102000	98000	101000	96500	101000	101000	87800	90900	97600	94500	88100	103000	105000
Monobutyl phthalate	Monobutylphthalate	1040000	857000	1070000	919000	858000	938000	961000	955000	943000	925000	980000	963000	908000	896000	921000	972000	972000	1120000	867000	991000	1060000	859000	932000	850000	980000	997000	946000	1010000	905000	971000	967000	1030000	915000	905000	930000	971000	964000	908000	846000	1080000
MONO-METHYL GLUTARATE	Monomethyl glutaric acid	87700	15600000	97800	99200	17100000	23400000	18900000	97000	83000	117000	96200	95300	96300	113000	259000	89900	112000	225000	82300	113000	109000	19200000	15700000	19000000	16200000	330000	19300000	19400000	107000	116000	114000	99000	97700	57900	91200	123000	108000	199000	115000	149000
N1-Methyl-2-pyridone-5-carboxamide	N1-Methyl-2-pyridone-5-carboxamide	147000	71400	256000	3870000	301000	309000	250000	118000	67500	141000	715000	112000	302000	97000	192000	359000	290000	1450000	190000	336000	774000	165000	132000	160000	213000	1540000	207000	1070000	275000	1530000	139000	133000	164000	130000	60700	459000	969000	2260000	579000	468000
N1-Methyl-4-pyridone-5-carboxamide	N1-Methyl-4-pyridone-3-carboxamide	713000	265000	1390000	7040000	1090000	1200000	343000	548000	336000	728000	3860000	586000	1680000	453000	1200000	2060000	1480000	8950000	867000	1930000	4440000	520000	446000	473000	892000	8700000	534000	3670000	828000	9040000	729000	681000	1010000	661000	344000	2650000	5130000	12000000	3290000	2410000
N-Acetyl-Arginine	N-Acetylarginine	104000	106000	90700	223000	106000	121000	115000	104000	74700	118000	228000	113000	67700	108000	163000	79000	116000	155000	96300	182000	111000	67600	58300	51000	57300	149000	59600	87700	141000	133000	100000	72900	75100	46500	72900	123000	154000	149000	159000	100000
N-ACETYL-DL-GLUTAMIC ACID	N-Acetylglutamic acid	59900	22500	39900	76800	23900	17400	27500	55800	32800	27700	65500	31800	34700	38200	39800	35700	41700	256000	60700	50200	46700	25800	15100	65300	28700	59900	27000	47400	43700	45600	29000	28300	41300	21000	34000	62700	52200	67700	62700	55300
N-ACETYL-DL-SERINE_R1	N-Acetylserine	1650000	1010000	1450000	3270000	1860000	871000	1540000	1900000	1400000	1280000	1650000	1160000	1810000	1130000	1120000	1580000	1720000	3580000	1170000	3260000	1440000	1400000	1680000	1440000	1390000	2130000	1150000	2800000	1470000	2000000	1160000	1920000	1550000	999000	1210000	1500000	2320000	1850000	2080000	1560000
N-ACETYL-DL-SERINE_R2	N-Acetylserine	142000	138000	123000	405000	199000	141000	140000	130000	124000	116000	219000	104000	175000	103000	96400	223000	165000	1730000	247000	339000	184000	160000	200000	171000	97800	260000	116000	163000	259000	170000	303000	151000	175000	128000	90400	191000	303000	237000	230000	261000
N-ACETYLGLYCINE	N-Acetylglycine	814000	2010000	1300000	911000	2670000	1060000	1500000	1440000	1240000	1470000	1390000	1290000	1050000	1550000	3760000	1070000	1080000	1430000	2060000	1660000	920000	2310000	1310000	4500000	4560000	1740000	968000	2400000	1950000	5060000	753000	1180000	1830000	934000	917000	1390000	1320000	1560000	1340000	2320000
N-ACETYL-HEXOSAMINE	N-Acetylhexosamine	796000	573000	1140000	1630000	514000	611000	1030000	859000	1010000	666000	583000	614000	433000	552000	712000	1530000	1680000	437000	718000	636000	1060000	679000	738000	309000	744000	579000	902000	513000	438000	937000	2030000	1440000	851000	1090000	994000	454000	1820000	968000	1110000	1130000
N-ACETYL-L-ALANINE	N-Acetylalanine	1400000	733000	1060000	2170000	1110000	545000	820000	1160000	806000	1090000	1580000	960000	973000	927000	756000	1040000	1600000	2420000	946000	2300000	1270000	933000	852000	672000	856000	1180000	672000	1690000	961000	1580000	883000	1190000	1200000	718000	1030000	1000000	1760000	1560000	1770000	1070000
N-ACETYL-L-ASPARTIC ACID	N-Acetylaspartic acid	144000	68700	110000	145000	72300	102000	57200	130000	135000	140000	164000	126000	163000	109000	129000	132000	183000	389000	143000	134000	115000	79000	71700	89400	106000	118000	68000	90000	102000	140000	155000	132000	119000	134000	139000	152000	116000	131000	143000	190000
N-ACETYL-L-LEUCINE	N-Acetylleucine	93700	80300	156000	103000	103000	146000	168000	140000	132000	203000	183000	135000	151000	85200	116000	90500	184000	86800	80000	109000	170000	101000	89400	92700	90700	215000	92900	93800	88700	155000	111000	195000	132000	106000	95200	97700	88800	122000	212000	132000
N-ACETYLPUTRESCINE	N-Acetylputrescine	7940000	3710000	7570000	10200000	1870000	3840000	4450000	1630000	2560000	5730000	4620000	3160000	7230000	1290000	2610000	4310000	6060000	7540000	8650000	4460000	7960000	1470000	5550000	2050000	1800000	8170000	3560000	6990000	3950000	2830000	4750000	5200000	7530000	3580000	4390000	4830000	2880000	6850000	12500000	17500000
N-ALPHA-ACETYL-L-LYSINE	N(2)-Acetyllysine	1910000	767000	1800000	1910000	1070000	901000	1050000	1340000	1840000	982000	1350000	1210000	1810000	1070000	1440000	1300000	1380000	4390000	1170000	2360000	1750000	889000	1060000	519000	845000	2120000	1640000	1720000	1220000	1310000	2470000	3470000	1700000	808000	1770000	1200000	1260000	1510000	1360000	2090000
N-BOC-L-Aspartic Acid	Aspartic acid	23400000	24000000	21300000	20600000	25700000	25500000	23200000	23500000	20900000	21900000	24800000	22600000	23400000	21300000	22700000	19800000	23700000	22900000	23100000	23900000	20400000	23600000	22300000	28100000	23800000	21300000	23800000	24800000	19700000	23800000	24600000	23200000	24600000	21400000	25400000	24600000	21000000	22000000	21200000	24000000
N-BOC-L-tert-Leucine		13800000	13000000	13500000	13000000	14300000	14300000	14800000	12400000	13600000	13400000	14100000	13800000	13300000	12700000	13600000	10800000	13600000	14000000	13200000	14500000	14200000	13600000	12900000	12800000	13800000	13000000	13900000	13600000	12900000	13700000	15600000	14400000	14000000	12700000	14500000	13400000	13700000	13700000	13200000	14700000
N-BOC-L-Tryptophan_R1	Tryptophan	58000000	65400000	75100000	78800000	69900000	71800000	80100000	67200000	62100000	67200000	64000000	65800000	69100000	51000000	51300000	57100000	63400000	82900000	65600000	73200000	71900000	65000000	68900000	66300000	73100000	68700000	63800000	70100000	51300000	52700000	61200000	51600000	67900000	49000000	50600000	67500000	65700000	69900000	51100000	61600000
N-BOC-L-Tryptophan_R2	Tryptophan	5100000	5690000	6830000	6900000	6120000	6720000	7400000	5920000	5780000	5840000	5330000	5400000	6070000	4010000	4240000	5020000	5780000	8990000	5570000	6250000	7400000	5490000	6230000	5620000	6220000	5430000	5330000	6200000	5090000	4390000	5090000	4330000	5960000	3940000	4040000	6610000	5460000	6260000	4460000	5410000
NICOTINAMIDE	Niacinamide	3350000	219000	1510000	1410000	215000	150000	531000	684000	1650000	2030000	2400000	1100000	1230000	1270000	2880000	1680000	1210000	2710000	2060000	728000	1210000	219000	208000	153000	308000	2110000	293000	423000	2610000	1850000	3170000	1050000	1080000	1790000	1700000	1490000	2550000	1360000	1510000	1970000
N-METHYL-D-ASPARTIC ACID	N-Methyl-D-aspartic acid	18400000	14600000	16100000	8910000	5260000	15800000	10000000	7680000	15800000	7240000	21300000	16100000	12800000	14200000	14700000	7430000	6550000	32000000	36700000	12900000	27800000	6090000	5070000	8310000	5320000	28600000	8980000	15700000	11500000	11900000	10900000	9570000	9270000	8630000	9780000	15300000	7480000	23500000	13600000	17700000
N-Methylnicotinamide	N-Methylnicotinamide	547000	346000	430000	8730000	464000	874000	1090000	115000	163000	1110000	1510000	287000	2320000	550000	1100000	1400000	1630000	27700000	940000	855000	1940000	383000	1280000	332000	3400000	4880000	1140000	3740000	970000	3920000	1270000	1960000	898000	1200000	770000	548000	1880000	4420000	2630000	1610000
N(PAI)-METHYL-L-HISTIDINE	3-Methylhistidine	86400000	70700000	109000000	121000000	182000000	86800000	74100000	111000000	101000000	99400000	122000000	80500000	96400000	74800000	61400000	82000000	145000000	104000000	50800000	176000000	109000000	123000000	140000000	91200000	69300000	186000000	83100000	183000000	62300000	120000000	67400000	121000000	72900000	45900000	59200000	57900000	161000000	86000000	109000000	77600000
O-Acetyl-Lcarnitine:HCl (N-methyl-D3)		4300000	1200000	2740000	2230000	2940000	3530000	3090000	1740000	3240000	2280000	1960000	3880000	987000	2700000	1600000	1010000	1860000	3730000	3210000	2660000	3910000	2380000	3680000	2500000	4620000	3180000	8270000	3120000	774000	3740000	4510000	10700000	967000	3160000	4720000	1720000	2570000	1930000	5260000	4280000
O-Butyryl-L-carnitine:HCl	CAR 4:0	5770000	1320000	3120000	4420000	3840000	3680000	4170000	2130000	3140000	3390000	2640000	3880000	1620000	2820000	2370000	1990000	3130000	7270000	5110000	4490000	4670000	2820000	2630000	2530000	4640000	3850000	9010000	3740000	1510000	5350000	4120000	14200000	1230000	3400000	6500000	2320000	5450000	3760000	5860000	4780000
Octanoylcarnitine	CAR 8:0	3060000	1440000	2490000	5300000	4170000	1510000	1620000	1660000	2560000	5570000	2620000	2150000	3170000	1730000	1150000	2520000	2980000	1310000	2620000	2800000	2200000	2340000	1540000	747000	1540000	5680000	2430000	2850000	1400000	3750000	1590000	3260000	1510000	743000	1240000	3900000	4850000	4170000	7070000	1590000
O-Isovaleryl-L-carnitine (N_N_N-trimethyl-D9)		6210000	1810000	3890000	4460000	5450000	5360000	6000000	2510000	3530000	4160000	3170000	5210000	1790000	3480000	2620000	1810000	3090000	6040000	4830000	3660000	5720000	4070000	3240000	3500000	7110000	3860000	11800000	4720000	1340000	6900000	4580000	16800000	1500000	3400000	6160000	2210000	4630000	3760000	6760000	5080000
O-Myristol-L-carnitine:HCl(N_N_N-trimethyl-D9)		2060000	123000	809000	1000000	842000	830000	628000	615000	1140000	711000	126000	1100000	251000	1150000	452000	117000	439000	3010000	1330000	770000	461000	269000	247000	324000	872000	1670000	2900000	648000	524000	788000	742000	6750000	228000	293000	1010000	322000	405000	266000	1960000	772000
O-Octanoyl-L-carnitine:HCl(N-methyl-D3)		5990000	1400000	4330000	4040000	3920000	4320000	4800000	2310000	4110000	3610000	3080000	4710000	1730000	3930000	2510000	1590000	2690000	5920000	3990000	3540000	5800000	3050000	3960000	3050000	5130000	5050000	10000000	4620000	1850000	5820000	5920000	16300000	1410000	3430000	5430000	2410000	3940000	2700000	7070000	5390000
O-Propionyl_L-carnitine:HCl		4350000	1240000	2730000	3930000	3290000	3500000	3430000	1930000	3130000	3110000	2160000	4030000	1200000	3130000	1880000	1070000	1990000	4450000	3830000	2960000	3810000	2450000	3320000	2650000	4330000	3820000	8480000	3260000	860000	4740000	4520000	11700000	1010000	3030000	4470000	1700000	3290000	2320000	6540000	4140000
ORNITHINE	Ornithine	1130000	639000	796000	770000	680000	1060000	600000	1360000	955000	868000	611000	950000	723000	899000	830000	623000	1050000	1410000	607000	1080000	1400000	463000	537000	313000	418000	1250000	636000	548000	481000	1170000	1820000	1080000	3200000	460000	809000	607000	1190000	904000	978000	445000
Palmitoleic acid	Palmitoleic acid	155000	131000	144000	136000	137000	138000	147000	113000	148000	138000	133000	159000	111000	135000	154000	131000	147000	168000	145000	142000	143000	149000	134000	135000	132000	130000	144000	133000	159000	145000	168000	151000	143000	159000	135000	135000	158000	144000	141000	165000
Pantothenic Acid	Pantothenic acid	1040000	1270000	915000	2490000	773000	599000	2700000	703000	565000	1050000	1290000	991000	1140000	1990000	1790000	964000	1070000	10500000	1780000	1350000	2080000	1890000	840000	1610000	1010000	1940000	748000	593000	761000	2500000	2250000	1100000	1740000	414000	2550000	587000	1410000	10200000	1070000	1840000
PEG n5	Pentaethylene glycol	1100000	2290000	3210000	744000	1420000	2560000	4310000	637000	14300000	1050000	1480000	1160000	816000	34300000	2330000	556000	882000	4760000	1040000	915000	684000	2090000	129000000	6920000	2020000	40300000	4240000	9490000	1310000	1330000	123000000	1090000	947000	15200000	951000	13500000	729000	1260000	8730000	5320000
PHENETHYLAMINE	Phenylethylamine	3430000	3450000	3310000	3390000	3220000	3320000	3460000	3630000	3490000	3640000	3810000	3570000	3680000	3340000	3640000	6620000	3440000	3190000	3620000	3350000	3710000	3680000	3820000	3410000	3150000	3110000	3750000	3410000	3600000	4030000	3720000	3740000	3720000	4040000	3680000	3130000	3750000	3590000	3990000	3750000
Phenylalanine-HCOOH		84000000	62000000	79200000	59400000	79800000	89000000	80300000	95000000	86700000	87900000	61200000	82900000	67800000	70300000	80700000	59900000	92400000	103000000	67900000	84300000	74400000	76800000	66000000	36700000	61800000	90100000	67500000	64600000	60700000	94200000	115000000	84100000	84200000	57000000	78700000	77500000	91400000	102000000	78700000	57900000
PHOSPHOCHOLINE	Choline phosphate	82900	222000	341000	38600	308000	135000	312000	1020000	589000	119000	299000	790000	325000	320000	349000	174000	31800	93000	48200	70600	182000	388000	45900	570000	441000	106000	289000	112000	53300	123000	28700	283000	842000	368000	77900	263000	68200	83800	72100	107000
PIPECOLATE/L-PIPECOLIC ACID	Pipecolic acid	37800000	16300000	34000000	23000000	24900000	77600000	31600000	34300000	26400000	22800000	21400000	16500000	24800000	25400000	16600000	19200000	44800000	50400000	23600000	27300000	36300000	28800000	28300000	6840000	16800000	24200000	22800000	16000000	18400000	32200000	47400000	64500000	31300000	11500000	74300000	26500000	48400000	47900000	29300000	21400000
Proprionylcarnitine	CAR DC3:0	11900000	5020000	6730000	17600000	6960000	8720000	4940000	9980000	5420000	15100000	8470000	10600000	6520000	6470000	7650000	5840000	17400000	11500000	6620000	8870000	6700000	6020000	5300000	2010000	2940000	8380000	7190000	6520000	9620000	14400000	8230000	10700000	6480000	3420000	5060000	8940000	18400000	10700000	17400000	5590000
PYRIDINE-2_3-DICARBOXYLATE	Quinolinic acid	416000	276000	442000	459000	352000	367000	384000	304000	426000	425000	422000	223000	323000	360000	237000	351000	387000	418000	341000	407000	415000	332000	430000	244000	297000	514000	265000	502000	308000	301000	450000	290000	245000	203000	285000	375000	544000	383000	455000	351000
PYRIDOXAL	Pyridoxal	28800	42800	28800	53200	58400	67900	82200	28000	21100	54400	29700	19000	42300	33700	86700	22100	22600	404000	37600	26200	42000	225000	58000	61400	49200	46900	60900	89100	18800	64200	23700	21300	67600	23900	55800	17400	46500	412000	25700	28700
PYRIDOXINE	Pyridoxine	6260	6010	11300	12600	10800	5850	6480	5320	6100	6000	12900	5610	5940	5830	174000	5630	4870	12800	5090	6030	11900	6290	6160	5090	6160	6600	6050	6920	5730	58700	6670	14000	13800	5150	5410	5630	6820	57200	5950	7240
Pyroglutamic Acid	Pyroglutamic acid	36200000	34100000	32200000	44000000	45600000	33900000	35100000	30400000	39800000	44400000	35600000	39800000	36000000	42900000	39500000	34700000	36900000	105000000	35600000	43600000	44600000	26400000	28800000	16800000	35800000	51900000	29800000	35500000	32600000	38600000	54000000	30200000	50100000	32900000	54800000	38300000	33500000	34600000	40000000	37100000
QUINATE	Quinic acid	64300	50500	28800	222000	20200	65500	60000	60000	35700	82500	1060000	53500	51500	94700	64700	1140000	57200	235000	50600	73900	157000	70200	33200	102000	54000	57300	75300	31200	112000	71100	76000	33700	53000	19200	40200	835000	45600	190000	390000	264000
(R)-MALATE	D-Malic acid	227000	380000	135000	202000	266000	154000	155000	128000	166000	160000	216000	77800	187000	119000	106000	162000	109000	2810000	177000	277000	157000	399000	193000	154000	161000	206000	137000	197000	223000	146000	273000	158000	105000	107000	187000	151000	171000	184000	197000	327000
SEROTONIN	Serotonin	1610000	247000	994000	1150000	44900	10100	21400	444000	761000	1690000	107000	1120000	897000	669000	1180000	1740000	1420000	1650000	185000	805000	730000	58100	36000		9790	1910000	12500	35700	2980000	739000	3980000	1670000	314000	1410000	1710000	1020000	1630000	1340000	1970000	1470000
SEROTONIN-NH3	Serotonin	1720000	268000	977000	1270000	39200	7330	8500	485000	900000	1930000	105000	1170000	1010000	764000	1300000	1820000	1580000	1630000	171000	857000	688000	66100	41700	5700	7470	2060000	8880	31400	3370000	800000	4180000	1710000	326000	1590000	1910000	1140000	1740000	1550000	2140000	1470000
SPERMIDINE	Spermidine	2750000	175000	1520000	1450000	210000	142000	177000	611000	1120000	1430000	1930000	410000	546000	756000	723000	1070000	1050000	2070000	1370000	679000	1270000	232000	173000	44000	96200	1740000	181000	282000	2040000	1570000	2540000	1420000	613000	591000	1050000	1030000	2700000	1040000	1040000	1670000
SPERMINE	Spermine	688000	152000	829000	452000	167000	198000	303000	277000	641000	337000	532000	281000	199000	317000	361000	412000	419000	1510000	366000	514000	644000	158000	174000	39500	193000	604000	200000	219000	296000	414000	921000	612000	392000	254000	351000	363000	1560000	241000	288000	529000
Sphingosine (d18:1)	Sphingosine	1100000	87100	695000	511000	115000	96000	94200	280000	556000	983000	903000	307000	411000	235000	352000	335000	357000	2320000	807000	364000	797000	99600	68800	94300	97000	397000	120000	341000	1020000	777000	928000	548000	503000	569000	564000	449000	1130000	292000	774000	625000
Stachydrine_R1	Stachydrine	16300000	3690000	137000000	62300000	129000000	63000000	4160000	77900000	24200000	73800000	68100000	45800000	59300000	155000000	21700000	21300000	36300000	82800000	83900000	139000000	35100000	62300000	53400000	22300000	11200000	84200000	3700000	3250000	47500000	128000000	79100000	89900000	22800000	68500000	77300000	43300000	71800000	42100000	64800000	394000000
Stachydrine_R2	Stachydrine	3590000	2390000	139000000	5900000	129000000	63400000	5750000	4190000	13300000	16400000	70300000	12300000	5880000	155000000	2890000	12800000	4580000	82700000	10800000	15400000	3470000	11700000	2900000	1140000	1590000	83800000	12600000	16600000	47100000	128000000	4870000	31300000	2370000	69200000	4400000	2190000	8440000	3320000	11500000	400000000
SUCCINATE	Succinic acid	290000	353000	312000	164000	158000	376000	287000	142000	412000	151000	415000	354000	193000	191000	306000	92200	111000	621000	736000	366000	400000	179000	300000	202000	199000	583000	338000	394000	481000	360000	231000	130000	150000	112000	399000	289000	145000	333000	429000	577000
Sulcatol	(R)-Sulcatol	251000	586000	253000	257000	990000	880000	674000	251000	270000	249000	266000	264000	243000	238000	310000	245000	249000	282000	247000	240000	248000	852000	831000	676000	646000	264000	968000	826000	254000	269000	257000	255000	249000	235000	275000	255000	243000	254000	224000	259000
Syringic Acid	Syringic acid			100000		18400	29600	20600	5300	5400	5630		6210		22900	47800	8070			72000		4460	11600		20900	103000	1320000		59700	4610		14200						5680			
TAURINE	Taurine	7820000	2260000	4790000	4990000	1960000	1520000	2750000	1920000	4010000	5920000	7270000	4390000	3750000	3130000	5500000	4730000	3960000	1760000	5280000	3110000	3760000	1660000	1870000	1410000	1460000	3500000	1360000	1600000	4490000	4730000	7430000	4970000	3030000	4970000	4440000	4950000	5740000	2890000	4770000	6730000
Taurocholic acid_R1	Taurocholic acid			10200	23100	44100	10100	10300							9650	33100			1080000		13200		17600				24000		50600	282000	21900	9200	21900	6780	80000	25900					
Taurocholic acid_R2	Taurocholic acid				6260	8650										10100			312000		6450		7340				10700		6960	85300					29000	7770					
Taurocholic acid (TCA)_R1	Taurocholic acid				10900	34400		8760							7790	27900			899000		10600						11300		38100	235000	9210		11400		65700	28900					
Taurocholic acid (TCA)_R2	Taurocholic acid				6490	8620										8710			322000				6890				6300		11400	99000					33600	8120					
Taurocholic acid (TCA)_R3	Taurocholic acid			9540	21600	38800	6380	7860	5450						10500	28900			820000	8590	9510	7680	11100				12400		36800	220000	7680	7020	9630		68100	26000				6760	
Taurocholic acid (TCA)_R4	Taurocholic acid		7890	8190	7430	11600		5890		7290	5090	8050		7350	6790	9280	6530	8840	426000	7300	8420	7660		6610			9770		23700	123000	10200	7570	6810		37100	25400	8140	7740			
Taurodeoxycholic Acid (T-DCA)_R1	Taurodeoxycholic acid	20500	326000	39000	27500	109000	96700	360000	6600	9200	9590	9450	11200	38400	21400	89500	12800	13000	2010000	26300	37300	11500	501000	78900	192000	98200	26600	97000	540000	94800	44600	24600	34700	32500	147000	35200	9020	11800		9700	33400
Taurodeoxycholic Acid (T-DCA)_R2	Taurodeoxycholic acid	24700	70700	35400	35000	44200	48700	250000	9240	9260	8580	9270	8410	31600	26600	94900	17800	10200	1940000	33100	37200	10200	26100	19800	22300	58300	26600	35700	56300	126000	30300	30300	32900	32500	176000	35200	8700	11800		5890	10400
Taurodeoxycholic Acid (T-DCA)_R3	Taurodeoxycholic acid	9620	7250	12300	25000	35200	6550	16300	6550					9800	10800	57200	7710	4880	1140000	28500	21100	8090	6710	7690		6990	9540		28800	80700	10100	12500	12200	23800	107000	24400		21800			
Taurodeoxycholic Acid (T-DCA)_R4	Taurodeoxycholic acid	10700		8100	10200	10500		7870	11500					8740	12700	37000			2080000	10400	19700		7460				4850		10500	94200	5990		11900	7340	118000	45400		6480			
Taurodeoxycholic Acid (T-DCA)_R5	Taurodeoxycholic acid			6770		7070										25800			323000	6680	7460								9710	24700			4790		41900	6370					
Taurodeoxycholic Acid (T-DCA)_R6	Taurodeoxycholic acid			10400	7820	22000		10300	6290					5650	6790	41100		7170	606000	7850	6930		5530	5280		6960	6260		11500	48300	6680		9050		70100	6750		9520			
Taurodeoxycholic Acid (T-DCA)_R7	Taurodeoxycholic acid			7710	8810	8610	5810								6290	32400			407000	7350	7990	6620	6870						9240	36200		9080	6450		54400	7020					
Tetrahydrothiophene-1-oxide	Tetrahydrothiophene-1-oxide	278000	252000	284000	195000	276000	275000	244000	308000	243000	272000	317000	280000	327000	259000	267000	216000	291000	309000	269000	328000	243000	245000	317000	507000	277000	231000	255000	264000	221000	292000	276000	250000	274000	285000	348000	314000	235000	244000	258000	309000
THIAMINE	Thiamine		15300		12500											84200			49100					8290										941000					590000		
THREONINE/HOMOSERINE_R1	Threonine/Homoserine	21700000	18300000	20400000	14300000	21900000	35600000	23200000	26600000	22400000	28400000	14200000	21400000	22100000	24700000	25000000	15100000	33800000	20600000	17200000	23300000	24000000	18500000	20400000	10600000	17900000	28600000	16400000	17300000	11300000	23500000	28600000	24200000	24600000	16000000	21400000	19400000	29900000	26000000	26000000	13400000
THREONINE/HOMOSERINE_R2	Threonine/Homoserine	4260000	4300000	8420000	3440000	2640000	3180000	5950000	7990000	10900000	109000000	3690000	8370000	3650000	2780000	10600000	5660000	1730000	1010000	1580000	712000	3770000	3560000	586000	5090000	5140000	2390000	7910000	6840000	988000	2380000	855000	3030000	12000000	2220000	717000	5960000	1130000	1380000	2390000	1520000
THYMINE	Thymine	105000	52800	84000	97500	60300	79000	66000	63800	93900	65200	114000	71400	127000	62500	67800	82200	72100	286000	164000	105000	72500	73300	106000	50000	84700	148000	76400	58200	104000	116000	102000	76000	59100	63200	71200	100000	100000	104000	79000	123000
TRANS-CINNAMATE	trans-Cinnamic acid	585000	603000	617000	2450000	792000	615000	746000	1220000	618000	661000	772000	649000	896000	676000	666000	1480000	1190000	2210000	737000	1290000	1630000	701000	707000	663000	636000	780000	663000	638000	687000	726000	750000	912000	1720000	740000	664000	1350000	1370000	1340000	718000	862000
Triethyl phosphate	Triethyl phosphate	1210000	1080000	1090000	1150000	1060000	1230000	824000	1090000	776000	1030000	1130000	951000	997000	1020000	989000	819000	1060000	1050000	992000	954000	1120000	1040000	1120000	868000	1130000	1160000	1050000	1250000	1100000	1080000	957000	1080000	1080000	909000	733000	1090000	1070000	1100000	879000	1060000
Trigonelline	Trigonelline	13400000	6630000	5770000	6430000	9350000	20000000	8340000	8180000	7380000	6710000	7540000	5870000	9710000	8030000	4950000	14300000	1030000	18900000	823000	8540000	10900000	5100000	9130000	2240000	5910000	6270000	7610000	7170000	530000	5520000	6340000	8260000	10200000	6860000	8890000	9060000	9050000	11900000	18500000	4440000
Tryptophan-2_3_3-D3	Tryptophan	138000000	123000000	141000000	119000000	137000000	136000000	143000000	124000000	143000000	124000000	131000000	118000000	120000000	115000000	123000000	111000000	133000000	151000000	115000000	139000000	149000000	128000000	123000000	102000000	116000000	123000000	123000000	142000000	113000000	122000000	142000000	143000000	148000000	118000000	141000000	127000000	124000000	111000000	119000000	145000000
Tryptophan-2_3_3-D3-NH3	Tryptophan	33500000	31400000	32800000	29900000	33700000	33900000	34900000	31500000	34300000	31500000	31800000	29800000	31100000	28700000	30600000	27500000	32300000	36800000	29000000	33400000	35000000	32300000	31500000	25900000	28000000	30000000	29800000	34300000	28300000	30600000	34500000	35000000	36000000	29900000	34500000	31300000	31500000	27900000	30200000	34800000
URACIL	Uracil	231000	125000	179000	229000	152000	190000	151000	183000	144000	212000	271000	165000	270000	174000	180000	233000	236000	837000	215000	243000	212000	172000	231000	100000	158000	331000	171000	229000	275000	310000	324000	161000	168000	191000	161000	202000	276000	179000	192000	253000
URATE	Uric acid	132000000	80900000	182000000	197000000	120000000	138000000	166000000	120000000	182000000	152000000	164000000	69600000	119000000	108000000	73200000	120000000	138000000	199000000	127000000	177000000	188000000	111000000	147000000	82300000	91400000	284000000	87100000	249000000	107000000	104000000	211000000	100000000	75900000	62200000	102000000	133000000	217000000	141000000	173000000	139000000
URIDINE	Uridine	204000	263000	161000	151000	138000	187000	177000	213000	243000	293000	230000	182000	139000	337000	239000	102000	229000	215000	144000	137000	253000	179000	178000	135000	212000	181000	195000	226000	254000	240000	362000	260000	249000	181000	181000	163000	216000	141000	133000	177000
UROCANATE	Urocanic acid	443000	480000	471000	575000	572000	445000	656000	652000	8380000	998000	774000	266000	556000	444000	506000	435000	585000	325000	880000	307000	638000	746000	483000	555000	1010000	399000	721000	815000	355000	439000	583000	635000	451000	534000	314000	975000	544000	430000	635000	1390000
Valerylcarnitine	CAR 5:0	1270000	797000	1010000	3870000	1510000	1540000	874000	1480000	1710000	1590000	896000	798000	910000	566000	484000	2550000	2160000	7770000	395000	2110000	762000	993000	518000	423000	451000	1570000	510000	1670000	679000	1670000	872000	1430000	1190000	202000	484000	746000	3000000	1830000	1110000	604000