SWHS & SMHS

SWMHS_Metabolon_082017

Explanation

VAND-0201-17ML+ CLIENT DATA TABLES ADDED METABOLITES

OrigScale:Values are normalized in terms of raw area counts.

ScaledImpData:

Each biochemical in OrigScale is rescaled to set the median equal to 1.

Then, missing values are imputed with the minimum.

VolNormImpData:

Values for each sample are normalized by sample volume available/utilized for extraction.

Each biochemical in OrigScale is then rescaled to set the median equal to 1.

Lastly, missing values are imputed with the minimum.

There are two sets data,VAND-0201-17ML+ CLIENT DATA TABLES and VAND-0201-17ML+ CLIENT DATA TABLES ADDED METABOLITES. VAND-0201-17ML+ CLIENT DATA TABLES missed three markers,

A. 1-(1-enyl-oleoyl)-2-docosahexaenoyl-GPE (P-18:1/22:6)*

B. 1-(1-enyl-stearoyl)-2-docosahexaenoyl-GPE (P-18:0/22:6)*

C. 1-pentadecanoyl-2-linoleoyl-GPC (15:0/18:2)*

OrigScale (VAND-0201-17ML+ CLIENT DATA TABLES ADDED METABOLITES)

Sample_ID	(14 or 15)-methylpalmitate (a17:0 or i17:0)	(16 or 17)-methylstearate (a19:0 or i19:0)	(2 or 3)-decenoate (10:1n7 or n8)	(2,4 or 2,5)-dimethylphenol sulfate	(N(1) + N(8))-acetylspermidine	(R)-3-hydroxybutyrylcarnitine	(S)-3-hydroxybutyrylcarnitine	1-(1-enyl-oleoyl)-2-docosahexaenoyl-GPE (P-18:1/22:6)*	1-(1-enyl-oleoyl)-GPE (P-18:1)*	1-(1-enyl-palmitoyl)-2-arachidonoyl-GPC (P-16:0/20:4)*	1-(1-enyl-palmitoyl)-2-arachidonoyl-GPE (P-16:0/20:4)*	1-(1-enyl-palmitoyl)-2-linoleoyl-GPC (P-16:0/18:2)*	1-(1-enyl-palmitoyl)-2-linoleoyl-GPE (P-16:0/18:2)*	1-(1-enyl-palmitoyl)-2-oleoyl-GPC (P-16:0/18:1)*	1-(1-enyl-palmitoyl)-2-oleoyl-GPE (P-16:0/18:1)*	1-(1-enyl-palmitoyl)-2-palmitoleoyl-GPC (P-16:0/16:1)*	1-(1-enyl-palmitoyl)-2-palmitoyl-GPC (P-16:0/16:0)*	1-(1-enyl-palmitoyl)-GPC (P-16:0)*	1-(1-enyl-palmitoyl)-GPE (P-16:0)*	1-(1-enyl-stearoyl)-2-arachidonoyl-GPE (P-18:0/20:4)*	1-(1-enyl-stearoyl)-2-docosahexaenoyl-GPE (P-18:0/22:6)*	1-(1-enyl-stearoyl)-2-linoleoyl-GPE (P-18:0/18:2)*	1-(1-enyl-stearoyl)-2-oleoyl-GPE (P-18:0/18:1)	1-(1-enyl-stearoyl)-GPE (P-18:0)*	1,2,3-benzenetriol sulfate (2)	1,2-dilinoleoyl-GPC (18:2/18:2)	1,2-dipalmitoyl-GPC (16:0/16:0)	1,3,7-trimethylurate	1,3-dimethylurate	1,5-anhydroglucitol (1,5-AG)	1,7-dimethylurate	10,11-dihydro-10-hydroxycarbamazepine	10-heptadecenoate (17:1n7)	10-nonadecenoate (19:1n9)	10-undecenoate (11:1n1)	11beta-hydroxyandrosterone glucuronide	12,13-DiHOME	13-HODE + 9-HODE	16a-hydroxy DHEA 3-sulfate	17alpha-hydroxypregnenolone 3-sulfate	1-arachidonoyl-GPC* (20:4)*	1-arachidonoyl-GPE (20:4n6)*	1-arachidonoyl-GPI* (20:4)*	1-arachidonylglycerol (20:4)	1-carboxyethylisoleucine	1-carboxyethylleucine	1-carboxyethylphenylalanine	1-carboxyethyltyrosine	1-carboxyethylvaline	1H-indole-7-acetic acid	1-lignoceroyl-GPC (24:0)	1-linolenoyl-GPC (18:3)*	1-linoleoyl-2-arachidonoyl-GPC (18:2/20:4n6)*	1-linoleoyl-2-arachidonoyl-GPE (18:2/20:4)*	1-linoleoyl-2-linolenoyl-GPC (18:2/18:3)*	1-linoleoylglycerol (18:2)	1-linoleoyl-GPC (18:2)	1-linoleoyl-GPE (18:2)*	1-linoleoyl-GPG (18:2)*	1-linoleoyl-GPI* (18:2)*	1-methyl-4-imidazoleacetate	1-methyl-5-imidazoleacetate	1-methylguanidine	1-methylhistidine	1-methylnicotinamide	1-methylxanthine	1-myristoyl-2-arachidonoyl-GPC (14:0/20:4)*	1-myristoyl-2-palmitoyl-GPC (14:0/16:0)	1-oleoyl-2-arachidonoyl-GPE (18:1/20:4)*	1-oleoyl-2-docosahexaenoyl-GPC (18:1/22:6)*	1-oleoyl-2-linoleoyl-GPE (18:1/18:2)*	1-oleoylglycerol (18:1)	1-oleoyl-GPC (18:1)	1-oleoyl-GPE (18:1)	1-oleoyl-GPG (18:1)*	1-oleoyl-GPI (18:1)	1-oleoyl-GPS (18:1)	1-palmitoleoyl-2-linolenoyl-GPC (16:1/18:3)*	1-palmitoleoylglycerol (16:1)*	1-palmitoleoyl-GPC* (16:1)*	1-palmitoyl-2-arachidonoyl-GPC (16:0/20:4n6)	1-palmitoyl-2-arachidonoyl-GPE (16:0/20:4)*	1-palmitoyl-2-arachidonoyl-GPI (16:0/20:4)*	1-palmitoyl-2-docosahexaenoyl-GPC (16:0/22:6)	1-palmitoyl-2-docosahexaenoyl-GPE (16:0/22:6)*	1-palmitoyl-2-linoleoyl-GPC (16:0/18:2)	1-palmitoyl-2-linoleoyl-GPE (16:0/18:2)	1-palmitoyl-2-linoleoyl-GPI (16:0/18:2)	1-palmitoyl-2-oleoyl-GPC (16:0/18:1)	1-palmitoyl-2-oleoyl-GPE (16:0/18:1)	1-palmitoyl-2-palmitoleoyl-GPC (16:0/16:1)*	1-palmitoyl-2-stearoyl-GPC (16:0/18:0)	1-palmitoyl-GPC (16:0)	1-palmitoyl-GPE (16:0)	1-palmitoyl-GPG (16:0)*	1-palmitoyl-GPI* (16:0)	1-pentadecanoyl-2-linoleoyl-GPC (15:0/18:2)*	1-ribosyl-imidazoleacetate*	1-stearoyl-2-arachidonoyl-GPC (18:0/20:4)	1-stearoyl-2-arachidonoyl-GPE (18:0/20:4)	1-stearoyl-2-arachidonoyl-GPI (18:0/20:4)	1-stearoyl-2-arachidonoyl-GPS (18:0/20:4)	1-stearoyl-2-docosahexaenoyl-GPC (18:0/22:6)	1-stearoyl-2-docosahexaenoyl-GPE (18:0/22:6)*	1-stearoyl-2-linoleoyl-GPC (18:0/18:2)*	1-stearoyl-2-linoleoyl-GPE (18:0/18:2)*	1-stearoyl-2-linoleoyl-GPI (18:0/18:2)	1-stearoyl-2-oleoyl-GPC (18:0/18:1)	1-stearoyl-2-oleoyl-GPE (18:0/18:1)	1-stearoyl-2-oleoyl-GPS (18:0/18:1)	1-stearoyl-GPC (18:0)	1-stearoyl-GPE (18:0)	1-stearoyl-GPG (18:0)	1-stearoyl-GPI (18:0)	1-stearoyl-GPS (18:0)*	2,3-dihydroxy-2-methylbutyrate	2,3-dihydroxy-5-methylthio-4-pentenoate (DMTPA)*	2,3-dihydroxyisovalerate	2,6-dihydroxybenzoic acid	21-hydroxypregnenolone disulfate	2-aminobutyrate	2-aminoheptanoate	2-aminooctanoate	2-aminophenol sulfate	2-ethylphenylsulfate	2-hydroxy-3-methylvalerate	2-hydroxyacetaminophen sulfate*	2-hydroxyarachidate*	2-hydroxybehenate	2-hydroxybutyrate/2-hydroxyisobutyrate	2-hydroxydecanoate	2-hydroxyfluorene sulfate	2-hydroxyheptanoate*	2-hydroxyhippurate (salicylurate)	2-hydroxylaurate	2-hydroxynervonate*	2-hydroxyoctanoate	2-hydroxypalmitate	2-hydroxyphytanate*	2-hydroxysebacate	2-hydroxystearate	2-ketocaprylate	2-linoleoylglycerol (18:2)	2-methoxyacetaminophen glucuronide*	2-methoxyacetaminophen sulfate*	2-methoxyresorcinol sulfate	2-methylbutyrylcarnitine (C5)	2-naphthol sulfate	2-oleoylglycerol (18:1)	2'-O-methylcytidine	2'-O-methyluridine	2-palmitoyl-GPC* (16:0)*	2-piperidinone	2S,3R-dihydroxybutyrate	2-stearoyl-GPE (18:0)*	3-(3-hydroxyphenyl)propionate	3-(3-hydroxyphenyl)propionate sulfate	3-(4-hydroxyphenyl)lactate (HPLA)	3-(cystein-S-yl)acetaminophen*	3-(methylthio)acetaminophen sulfate*	3-(N-acetyl-L-cystein-S-yl) acetaminophen	3,4-dihydroxybutyrate	3,4-methyleneheptanoate	3,4-methyleneheptanoylcarnitine	3,5-dichloro-2,6-dihydroxybenzoic acid	3,7-dimethylurate	3-acetylphenol sulfate	3-amino-2-piperidone	3-aminoisobutyrate	3beta-hydroxy-5-cholestenoate	3-bromo-5-chloro-2,6-dihydroxybenzoic acid*	3-carboxy-4-methyl-5-pentyl-2-furanpropionate (3-CMPFP)	3-carboxy-4-methyl-5-propyl-2-furanpropanoate (CMPF)	3-decenoylcarnitine	3-ethylcatechol sulfate (1)	3-formylindole	3-hydroxy-2-ethylpropionate	3-hydroxy-2-methylpyridine sulfate	3-hydroxy-3-methylglutarate	3-hydroxyadipate*	3-hydroxybutyrate (BHBA)	3-hydroxybutyroylglycine	3-hydroxydecanoate	3-hydroxydodecanedioate*	3-hydroxyhexanoate	3-hydroxyhexanoylcarnitine (1)	3-hydroxyhippurate	3-hydroxyisobutyrate	3-hydroxylaurate	3-hydroxyoctanoate	3-hydroxypyridine sulfate	3-hydroxysebacate	3-hydroxystachydrine*	3-indoleglyoxylic acid	3-indoxyl sulfate	3-methoxycatechol sulfate (1)	3-methoxytyramine sulfate	3-methoxytyrosine	3-methyl catechol sulfate (1)	3-methyl-2-oxobutyrate	3-methyl-2-oxovalerate	3-methyladipate	3-methylglutaconate	3-methylglutarylcarnitine (2)	3-methylhistidine	3-methylxanthine	3-phenylpropionate (hydrocinnamate)	3-phosphoglycerate	3-ureidopropionate	4-acetamidobutanoate	4-acetamidophenol	4-acetamidophenylglucuronide	4-acetaminophen sulfate	4-acetylphenyl sulfate	4-allylcatechol sulfate	4-allylphenol sulfate	4-cholesten-3-one	4-ethylphenol glucuronide	4-ethylphenyl sulfate	4-guanidinobutanoate	4-hydroxychlorothalonil	4-hydroxycoumarin	4-hydroxyhippurate	4-imidazoleacetate	4-methoxyphenol sulfate	4-methyl-2-oxopentanoate	4-methylcatechol sulfate	4-methylguaiacol sulfate	4-methylnonanoylcarnitine	4-vinylguaiacol sulfate	4-vinylphenol sulfate	5-(galactosylhydroxy)-L-lysine	5,6-dihydrothymine	5,6-dihydrouridine	5-acetylamino-6-amino-3-methyluracil	5-acetylamino-6-formylamino-3-methyluracil	5alpha-androstan-3alpha,17beta-diol disulfate	5alpha-androstan-3alpha,17beta-diol monosulfate (1)	5alpha-androstan-3alpha,17beta-diol monosulfate (2)	5alpha-androstan-3beta,17alpha-diol disulfate	5alpha-androstan-3beta,17beta-diol disulfate	5alpha-androstan-3beta,17beta-diol monosulfate (2)	5alpha-pregnan-3beta,20alpha-diol disulfate	5alpha-pregnan-3beta,20alpha-diol monosulfate (2)	5alpha-pregnan-3beta,20beta-diol monosulfate (1)	5alpha-pregnan-diol disulfate	5-bromotryptophan	5-dodecenoylcarnitine (C12:1)	5-hydroxy-2-methylpyridine sulfate	5-hydroxylysine	5-methylthioadenosine (MTA)	5-methyluridine (ribothymidine)	5-oxoproline	6-hydroxyindole sulfate	6-oxopiperidine-2-carboxylate	7-HOCA	7-dehydrocholesterol	7-methylguanine	7-methylxanthine	8-hydroxyoctanoate	9,10-DiHOME	9-hydroxystearate	acesulfame	acetylcarnitine (C2)	acisoga	aconitate [cis or trans]	adenine	AMP	alanine	allantoin	alliin	alpha-CEHC sulfate	alpha-hydroxyisocaproate	alpha-hydroxyisovalerate	alpha-hydroxymetoprolol	alpha-ketoglutaramate*	alpha-ketoglutarate	alpha-tocopherol	amoxicillin	andro steroid monosulfate C19H28O6S (1)*	androstenediol (3alpha, 17alpha) monosulfate (2)	androstenediol (3alpha, 17alpha) monosulfate (3)	androstenediol (3beta,17beta) disulfate (1)	androstenediol (3beta,17beta) disulfate (2)	androstenediol (3beta,17beta) monosulfate (1)	androstenediol (3beta,17beta) monosulfate (2)	androsterone glucuronide	androsterone sulfate	arabinose	arabitol/xylitol	arabonate/xylonate	arachidate (20:0)	arachidonate (20:4n6)	arachidonoylcarnitine (C20:4)	arachidonoylcholine	arachidoylcarnitine (C20)*	argininate*	arginine	ascorbic acid 2-sulfate	ascorbic acid 3-sulfate*	asparagine	aspartate	azelate (nonanedioate; C9)	behenoyl dihydrosphingomyelin (d18:0/22:0)*	behenoyl sphingomyelin (d18:1/22:0)*	behenoylcarnitine (C22)*	benzoate	benzoylecgonine	beta-citrylglutamate	beta-cryptoxanthin	beta-hydroxyisovalerate	betaine	beta-sitosterol	betonicine	bilirubin (E,E)*	bilirubin (E,Z or Z,E)*	bilirubin	biliverdin	bradykinin	bradykinin, des-arg(9)	branched chain 14:0 dicarboxylic acid	branched-chain, straight-chain, or cyclopropyl 10:1 fatty acid (1)*	branched-chain, straight-chain, or cyclopropyl 12:1 fatty acid*	butyrylcarnitine (C4)	caffeic acid sulfate	caffeine	campesterol	caproate (6:0)	caprylate (8:0)	carbamazepine	carbamazepine 10,11-epoxide*	carbamazepine glucuronide*	carboxyethyl-GABA	carnitine	carotene diol (1)	carotene diol (2)	carotene diol (3)	catechol sulfate	cephalexin	ceramide (d16:1/24:1, d18:1/22:1)*	ceramide (d18:1/14:0, d16:1/16:0)*	ceramide (d18:1/20:0, d16:1/22:0, d20:1/18:0)*	ceramide (d18:2/24:1, d18:1/24:2)*	cerotoylcarnitine (C26)*	C-glycosyltryptophan	chenodeoxycholate	chiro-inositol	cholate	cholesterol	choline	phosphocholine	cimetidine	cinnamoylglycine	cis-4-decenoate (10:1n6)*	cis-4-decenoylcarnitine (C10:1)	citrate	citrulline	clindamycin	cortisol	cortisone	cortolone glucuronide (1)	cotinine	cotinine N-oxide	creatine	creatinine	crotonylbetaine	cys-gly, oxidized	cystathionine	cysteine	cysteine s-sulfate	cysteine sulfinic acid	cysteine-glutathione disulfide	cysteinylglycine	cysteinylglycine disulfide*	cystine	cytosine	daidzein	daidzein sulfate (2)	decadienedioic acid (C10:2-DC)	decanoylcarnitine (C10)	dehydroepiandrosterone sulfate (DHEA-S)	delta-CEHC	delta-CEHC glucuronide*	delta-tocopherol	deoxycarnitine	deoxycholate	deoxycholic acid (12 or 24)-sulfate*	deoxycholic acid glucuronide	diacylglycerol (16:1/18:2 [2], 16:0/18:3 [1])*	dihomolinoleate (20:2n6)	dihomolinolenate (20:3n3 or 3n6)	dihomo-linolenoylcarnitine (C20:3n3 or 6)*	dihomo-linolenoyl-choline	dihomo-linoleoylcarnitine (C20:2)*	dihydrocaffeate sulfate (2)	dihydroorotate	dimethyl sulfone	dimethylarginine (ADMA + SDMA)	dimethylglycine	docosadienoate (22:2n6)	docosadioate (C22-DC)	docosahexaenoate (DHA; 22:6n3)	docosahexaenoylcholine	docosapentaenoate (DPA; 22:5n3)	docosapentaenoate (n6 DPA; 22:5n6)	dodecadienoate (12:2)*	dodecanedioate (C12)	dodecenedioate (C12:1-DC)*	dopamine 3-O-sulfate	ectoine	EDTA	eicosanedioate (C20-DC)	eicosapentaenoate (EPA; 20:5n3)	eicosenedioate (C20:1-DC)*	eicosenoate (20:1n9 or 1n11)	eicosenoylcarnitine (C20:1)*	epiandrosterone sulfate	equol sulfate	ergothioneine	erucate (22:1n9)	erucoylcarnitine (C22:1)*	erythritol	erythronate*	ethyl glucuronide	ethylmalonate	etiocholanolone glucuronide	eugenol sulfate	ferulic acid 4-sulfate	DSGEGDFXAEGGGVR*	fluoxetine	fructose	fumarate	galactonate	gamma-carboxyglutamate	gamma-CEHC	gamma-CEHC glucuronide*	gamma-glutamylalanine	gamma-glutamyl-alpha-lysine	gamma-glutamylcitrulline*	gamma-glutamyl-epsilon-lysine	gamma-glutamylglutamate	gamma-glutamylglutamine	gamma-glutamylglycine	gamma-glutamylhistidine	gamma-glutamylisoleucine*	gamma-glutamylleucine	gamma-glutamylmethionine	gamma-glutamylphenylalanine	gamma-glutamylthreonine	gamma-glutamyltryptophan	gamma-glutamyltyrosine	gamma-glutamylvaline	gamma-tocopherol/beta-tocopherol	gemfibrozil	genistein sulfate*	gentisate	gluconate	glucose	glucuronate	glucuronide of C10H18O2 (7)*	glucuronide of C10H18O2 (8)*	glucuronide of C12H22O4 (1)*	glucuronide of C14H26O4 (1)*	glucuronide of C14H26O4 (2)*	glutamate	glutamine	glutamine conjugate of C6H10O2 (1)*	glutamine conjugate of C6H10O2 (2)*	glutamine conjugate of C7H12O2*	glutarate (C5-DC)	glutaroylcarnitine (C5)	glycerate	glycerol	glycerol 3-phosphate	glycerophosphoethanolamine	glycerophosphoglycerol	glycerophosphorylcholine (GPC)	glycine	glycine conjugate of C10H14O2 (1)*	glyco-alpha-muricholate	glyco-beta-muricholate	glycochenodeoxycholate	glycochenodeoxycholate 3-sulfate	glycochenodeoxycholate glucuronide (1)	glycocholate	glycocholenate sulfate*	glycodeoxycholate	glycodeoxycholate 3-sulfate	glycohyocholate	glycolithocholate	glycolithocholate sulfate*	glycosyl ceramide (d18:1/20:0, d16:1/22:0)*	glycosyl ceramide (d18:2/24:1, d18:1/24:2)*	glycosyl-N-behenoyl-sphingadienine (d18:2/22:0)*	glycosyl-N-nervonoyl-sphingosine (d18:1/24:1)*	glycosyl-N-palmitoyl-sphingosine (d18:1/16:0)	glycosyl-N-stearoyl-sphingosine (d18:1/18:0)	glycoursodeoxycholate	guaiacol sulfate	guanidinoacetate	gulonate*	heme	heptanoate (7:0)	heptenedioate (C7:1-DC)*	hexadecadienoate (16:2n6)	hexadecanedioate (C16)	hexadecenedioate (C16:1-DC)*	hexanoylcarnitine (C6)	hexanoylglutamine	hexanoylglycine (C6)	hippurate	histidine	homoarginine	homocitrulline	homostachydrine*	hydantoin-5-propionate	hydrochlorothiazide	hydroquinone sulfate	hydroxyasparagine	hydroxy-CMPF*	hydroxycotinine	hydroxy-N6,N6,N6-trimethyllysine*	hydroxypalmitoyl sphingomyelin (d18:1/16:0(OH))	hypotaurine	hypoxanthine	imidazole lactate	imidazole propionate	iminodiacetate (IDA)	indole-3-carboxylate	indoleacetate	indoleacetylglutamine	indolelactate	indolepropionate	indolin-2-one	indomethacin	inosine	isobutyrylcarnitine (C4)	isobutyrylglycine (C4)	isoleucine	isoleucylglycine	isopropylmaleate	isoursodeoxycholate	isoursodeoxycholate sulfate (1)	isovalerate (C5)	isovalerylcarnitine (C5)	isovalerylglycine	kynurenate	kynurenine	lactate	lactosyl-N-nervonoyl-sphingosine (d18:1/24:1)*	lactosyl-N-palmitoyl-sphingosine (d18:1/16:0)	lanthionine	laurate (12:0)	laurylcarnitine (C12)	leucine	leucylglycine	levulinoylcarnitine	lignoceroyl sphingomyelin (d18:1/24:0)	lignoceroylcarnitine (C24)*	linoleate (18:2n6)	linolenate (18:3n3 or 3n6)	linolenoylcarnitine (C18:3)*	linoleoyl ethanolamide	linoleoyl-arachidonoyl-glycerol (18:2/20:4) [1]*	linoleoyl-arachidonoyl-glycerol (18:2/20:4) [2]*	linoleoylcarnitine (C18:2)*	linoleoylcholine*	linoleoyl-linolenoyl-glycerol (18:2/18:3) [2]*	linoleoyl-linoleoyl-glycerol (18:2/18:2) [1]*	lithocholate sulfate (1)	lysine	malate	maleate	maltol sulfate	maltose	maltotriose	mannitol/sorbitol	mannonate*	mannose	margarate (17:0)	margaroylcarnitine (C17)*	metformin	methionine	methionine sulfone	methionine sulfoxide	methyl glucopyranoside (alpha + beta)	methyl indole-3-acetate	methyl-4-hydroxybenzoate sulfate	methylmalonate (MMA)	methylnaphthyl sulfate (2)*	methylsuccinate	metoprolol	metoprolol acid metabolite*	metronidazole	myo-inositol	myristoleate (14:1n5)	myristoleoylcarnitine (C14:1)*	myristoyl dihydrosphingomyelin (d18:0/14:0)*	myristoylcarnitine (C14)	N-(2-furoyl)glycine	N,N,N-trimethyl-5-aminovalerate	N,N,N-trimethyl-alanylproline betaine (TMAP)	N,N-dimethylalanine	N1-Methyl-2-pyridone-5-carboxamide	1-methyladenosine	N1-methylinosine	N2,N2-dimethylguanosine	N2,N5-diacetylornithine	N2-acetyl,N6,N6-dimethyllysine	N2-acetyl,N6-methyllysine	N4-acetyl-5-hydroxysulfamethoxazole*	N4-acetylsulfamethoxazole*	N6,N6,N6-trimethyllysine	N6,N6-dimethyllysine	N6-acetyllysine	N6-carbamoylthreonyladenosine	N6-methyllysine	N-acetyl-1-methylhistidine*	N-acetyl-2-aminooctanoate*	N-acetylalanine	N-acetylalliin	N-acetylarginine	N-acetylaspartate (NAA)	N-acetyl-beta-alanine	N-acetyl-cadaverine	N-acetylcarnosine	N-acetylcitrulline	N-acetylglucosamine/N-acetylgalactosamine	N-acetylglutamate	N-acetylglutamine	N-acetylglycine	N-acetylhistidine	N-acetylisoleucine	N-acetyl-isoputreanine	N-acetylleucine	N-acetylmethionine	N-acetylneuraminate	N-acetylphenylalanine	N-acetylputrescine	N-acetyl-S-allyl-L-cysteine	N-acetylserine	N-acetyltaurine	N-acetyltheanine	N-acetylthreonine	N-acetyltryptophan	N-acetyltyrosine	N-acetylvaline	N-behenoyl-sphingadienine (d18:2/22:0)*	N-carbamoylvaline	N-delta-acetylornithine	N-desalkylquetiapine*	nervonoylcarnitine (C24:1)*	N-formylanthranilic acid	N-formylmethionine	N-formylphenylalanine	nicotinamide	N-methylhydroxyproline	N-methylproline	N-oleoylserine	N-oleoyltaurine	nonadecanoate (19:0)	nonanoylcarnitine (C9)	norcotinine	norfluoxetine	N-palmitoylglycine	N-palmitoylserine	N-palmitoyl-sphingadienine (d18:2/16:0)*	N-palmitoyl-sphinganine (d18:0/16:0)	N-palmitoyl-sphingosine (d18:1/16:0)	N-stearoyl-sphingosine (d18:1/18:0)*	o-cresol sulfate	octadecadienedioate (C18:2-DC)*	octadecanedioylcarnitine (C18-DC)*	octadecenedioate (C18:1-DC)*	octadecenedioylcarnitine (C18:1-DC)*	octanoylcarnitine (C8)	ofloxacin	oleate/vaccenate (18:1)	oleoyl-arachidonoyl-glycerol (18:1/20:4) [1]*	oleoyl-arachidonoyl-glycerol (18:1/20:4) [2]*	oleoylcarnitine (C18)	oleoylcholine	oleoyl-linoleoyl-glycerol (18:1/18:2) [1]	oleoyl-linoleoyl-glycerol (18:1/18:2) [2]	ornithine	orotate	orotidine	O-sulfo-L-tyrosine	oxalate (ethanedioate)	palmitoleate (16:1n7)	palmitoleoyl-arachidonoyl-glycerol (16:1/20:4) [2]*	palmitoleoylcarnitine (C16:1)*	palmitoleoyl-linoleoyl-glycerol (16:1/18:2) [1]*	palmitoyl dihydrosphingomyelin (d18:0/16:0)*	palmitoyl sphingomyelin (d18:1/16:0)	palmitoylcarnitine (C16)	palmitoylcholine	palmitoyl-docosahexaenoyl-glycerol (16:0/22:6) [1]*	palmitoyl-linoleoyl-glycerol (16:0/18:2) [1]*	palmitoyl-linoleoyl-glycerol (16:0/18:2) [2]*	palmitoyl-sphingosine-phosphoethanolamine (d18:1/16:0)	pantothenate (Vitamin B5)	paraxanthine	p-cresol glucuronide*	p-cresol sulfate	pentadecanoate (15:0)	pentose acid*	perfluorooctanesulfonate (PFOS)	perfluorooctanoate (PFOA)	phenol glucuronide	phenol sulfate	phenolphthalein beta-D-glucuronide	phenylacetate	phenylacetylcarnitine	phenylacetylglutamine	phenylalanine	phenyllactate (PLA)	phenylpyruvate	phosphate	phosphoethanolamine (PE)	picolinoylglycine	pimelate (C7-DC)	pipecolate	piperine	pregnanediol-3-glucuronide	pregnanolone/allopregnanolone sulfate	pregnen-diol disulfate*	pregnenediol sulfate (C21H34O5S)*	pregnenetriol disulfate*	pregnenetriol sulfate*	pregnenolone sulfate	prolylhydroxyproline	proline	prolylglycine	propionylcarnitine (C3)	propionylglycine (C3)	propyl 4-hydroxybenzoate sulfate	pseudouridine	pyridoxate	pyroglutamine*	pyrraline	pyruvate	quetiapine	quinate	ranitidine	ranitidine N-oxide*	retinol (Vitamin A)	ribitol	ribonate (ribonolactone)	ribulonate/xylulonate/lyxonate*	S-1-pyrroline-5-carboxylate	saccharin	S-adenosylhomocysteine (SAH)	salicylate	salicyluric glucuronide*	S-allylcysteine	sarcosine	sebacate (C10-DC)	serine	serotonin	S-methylcysteine	S-methylcysteine sulfoxide	S-methylmethionine	spermidine	spermine	sphinganine	sphinganine-1-phosphate	sphingomyelin (d17:1/14:0, d16:1/15:0)*	sphingomyelin (d17:1/16:0, d18:1/15:0, d16:1/17:0)*	sphingomyelin (d17:2/16:0, d18:2/15:0)*	sphingomyelin (d18:0/18:0, d19:0/17:0)*	sphingomyelin (d18:0/20:0, d16:0/22:0)*	sphingomyelin (d18:1/14:0, d16:1/16:0)*	sphingomyelin (d18:1/17:0, d17:1/18:0, d19:1/16:0)	sphingomyelin (d18:1/18:1, d18:2/18:0)	sphingomyelin (d18:1/19:0, d19:1/18:0)*	sphingomyelin (d18:1/20:0, d16:1/22:0)*	sphingomyelin (d18:1/20:1, d18:2/20:0)*	sphingomyelin (d18:1/20:2, d18:2/20:1, d16:1/22:2)*	sphingomyelin (d18:1/21:0, d17:1/22:0, d16:1/23:0)*	sphingomyelin (d18:1/22:1, d18:2/22:0, d16:1/24:1)*	sphingomyelin (d18:1/22:2, d18:2/22:1, d16:1/24:2)*	sphingomyelin (d18:1/24:1, d18:2/24:0)*	sphingomyelin (d18:1/25:0, d19:0/24:1, d20:1/23:0, d19:1/24:0)*	sphingomyelin (d18:2/14:0, d18:1/14:1)*	sphingomyelin (d18:2/16:0, d18:1/16:1)*	sphingomyelin (d18:2/18:1)*	sphingomyelin (d18:2/21:0, d16:2/23:0)*	sphingomyelin (d18:2/23:0, d18:1/23:1, d17:1/24:1)*	sphingomyelin (d18:2/23:1)*	sphingomyelin (d18:2/24:1, d18:1/24:2)*	sphingomyelin (d18:2/24:2)*	sphingosine	sphingosine 1-phosphate	stachydrine	stearidonate (18:4n3)	stearoyl sphingomyelin (d18:1/18:0)	stearoylcarnitine (C18)	stearoylcholine*	suberate (C8-DC)	succinate	succinimide	succinylcarnitine (C4)	sucrose	sulfamethoxazole	sulfate of piperine metabolite C16H19NO3 (2)*	sulfate of piperine metabolite C16H19NO3 (3)*	sulfate*	tartarate	tartronate (hydroxymalonate)	taurine	taurochenodeoxycholate	taurochenodeoxycholic acid 3-sulfate	taurocholate	taurocholenate sulfate*	taurodeoxycholate	taurodeoxycholic acid 3-sulfate	taurolithocholate 3-sulfate	tauroursodeoxycholate	tetradecadienedioate (C14:2-DC)*	tetradecadienoate (14:2)*	tetradecanedioate (C14)	theanine	theobromine	theophylline	thioproline	threonate	threonine	thymol sulfate	thyroxine	tiglyl carnitine (C5)	hydroxyproline	trans-urocanate	tricosanoyl sphingomyelin (d18:1/23:0)*	tridecenedioate (C13:1-DC)*	trigonelline (N'-methylnicotinate)	trimethylamine N-oxide	tryptophan	tryptophan betaine	tyramine O-sulfate	tyrosine	umbelliferone sulfate	uracil	urate	urea	uridine	ursodeoxycholate	ursodeoxycholate sulfate (1)	valerate (5:0)	valine	vanillactate	vanillic alcohol sulfate	vanillylmandelate (VMA)	xanthine	xanthurenate	ximenoylcarnitine (C26:1)*	xylose	X - 07765	X - 10458	X - 11261	X - 11299	X - 11308	X - 11315	X - 11372	X - 11378	X - 11381	X - 11407	X - 11441	X - 11442	X - 11444	X - 11470	X - 11478	X - 11522	X - 11530	X - 11632	X - 11787	X - 11795	X - 11843	X - 11847	X - 11849	X - 11850	X - 11852	X - 11858	X - 11880	X - 12007	X - 12013	X - 12026	X - 12100	X - 12101	X - 12104	X - 12117	X - 12127	X - 12193	X - 12216	X - 12221	X - 12261	X - 12283	X - 12306	X - 12407	X - 12410	X - 12411	X - 12456	X - 12524	X - 12543	X - 12680	X - 12707	X - 12729	X - 12730	X - 12738	X - 12740	X - 12812	X - 12822	X - 12844	X - 12847	X - 12849	X - 12851	X - 12906	X - 13007	X - 13431	X - 13553	X - 13658	X - 13684	X - 13695	X - 13728	X - 13729	X - 13835	X - 13866	X - 14056	X - 14662 - retired for glycoursodeoxycholate sulfate (1)	X - 14904	X - 14939	X - 15245	X - 15461	X - 15469	X - 15486	X - 15492	X - 15503	X - 15728	X - 16087	X - 16124	X - 16397	X - 16570	X - 16580	X - 16649	X - 16935	X - 16938	X - 16944	X - 16946	X - 16964	X - 17010	X - 17146	X - 17185	X - 17325	X - 17335	X - 17340	X - 17346	X - 17351	X - 17357	X - 17438	X - 17612	X - 17653	X - 17655	X - 17676	X - 17685	X - 17689	X - 17690	X - 17704	X - 17765	X - 18345	X - 18886	X - 18888	X - 18901	X - 18913	X - 18921	X - 19141	X - 19438	X - 21258	X - 21286	X - 21295	X - 21310	X - 21315	X - 21319	X - 21339	X - 21342	X - 21353	X - 21364	X - 21441	X - 21448	X - 21467	X - 21470	X - 21471	X - 21607	X - 21729 - retired for butyrate (4:0)	X - 21733	X - 21736	X - 21785	X - 21796	X - 21821	X - 21829	X - 21959	X - 22162	X - 22519	X - 22771	X - 22775	X - 23276	X - 23314	X - 23587	X - 23636	X - 23639	X - 23644	X - 23648	X - 23662	X - 23680	X - 23739	X - 23780	X - 23782	X - 23997	X - 24077 - retired for 2-hydroxy-4-(methylthio)butanoic acid	X - 24241	X - 24243	X - 24295	X - 24306	X - 24307	X - 24328	X - 24337	X - 24431	X - 24432	X - 24455	X - 24456	X - 24542 - retired for vanillic acid glycine	X - 24544	X - 24546	X - 24565	X - 24588	X - 24637	X - 24686	X - 24699	X - 24736	X - 24813	X - 24849	X - 24947	X - 24949	X - 24951	X - 24952	X - 25172	X - 25212	X - 25271	X - 25343	X - 25371	X - 25417	X - 25419	X - 25422	X - 25519

ScaledImpData (VAND-0201-17ML+ CLIENT DATA TABLES ADDED METABOLITES)

Sample_ID	(14 or 15)-methylpalmitate (a17:0 or i17:0)	(16 or 17)-methylstearate (a19:0 or i19:0)	(2 or 3)-decenoate (10:1n7 or n8)	(2,4 or 2,5)-dimethylphenol sulfate	(N(1) + N(8))-acetylspermidine	(R)-3-hydroxybutyrylcarnitine	(S)-3-hydroxybutyrylcarnitine	1-(1-enyl-oleoyl)-2-docosahexaenoyl-GPE (P-18:1/22:6)*	1-(1-enyl-oleoyl)-GPE (P-18:1)*	1-(1-enyl-palmitoyl)-2-arachidonoyl-GPC (P-16:0/20:4)*	1-(1-enyl-palmitoyl)-2-arachidonoyl-GPE (P-16:0/20:4)*	1-(1-enyl-palmitoyl)-2-linoleoyl-GPC (P-16:0/18:2)*	1-(1-enyl-palmitoyl)-2-linoleoyl-GPE (P-16:0/18:2)*	1-(1-enyl-palmitoyl)-2-oleoyl-GPC (P-16:0/18:1)*	1-(1-enyl-palmitoyl)-2-oleoyl-GPE (P-16:0/18:1)*	1-(1-enyl-palmitoyl)-2-palmitoleoyl-GPC (P-16:0/16:1)*	1-(1-enyl-palmitoyl)-2-palmitoyl-GPC (P-16:0/16:0)*	1-(1-enyl-palmitoyl)-GPC (P-16:0)*	1-(1-enyl-palmitoyl)-GPE (P-16:0)*	1-(1-enyl-stearoyl)-2-arachidonoyl-GPE (P-18:0/20:4)*	1-(1-enyl-stearoyl)-2-docosahexaenoyl-GPE (P-18:0/22:6)*	1-(1-enyl-stearoyl)-2-linoleoyl-GPE (P-18:0/18:2)*	1-(1-enyl-stearoyl)-2-oleoyl-GPE (P-18:0/18:1)	1-(1-enyl-stearoyl)-GPE (P-18:0)*	1,2,3-benzenetriol sulfate (2)	1,2-dilinoleoyl-GPC (18:2/18:2)	1,2-dipalmitoyl-GPC (16:0/16:0)	1,3,7-trimethylurate	1,3-dimethylurate	1,5-anhydroglucitol (1,5-AG)	1,7-dimethylurate	10,11-dihydro-10-hydroxycarbamazepine	10-heptadecenoate (17:1n7)	10-nonadecenoate (19:1n9)	10-undecenoate (11:1n1)	11beta-hydroxyandrosterone glucuronide	12,13-DiHOME	13-HODE + 9-HODE	16a-hydroxy DHEA 3-sulfate	17alpha-hydroxypregnenolone 3-sulfate	1-arachidonoyl-GPC* (20:4)*	1-arachidonoyl-GPE (20:4n6)*	1-arachidonoyl-GPI* (20:4)*	1-arachidonylglycerol (20:4)	1-carboxyethylisoleucine	1-carboxyethylleucine	1-carboxyethylphenylalanine	1-carboxyethyltyrosine	1-carboxyethylvaline	1H-indole-7-acetic acid	1-lignoceroyl-GPC (24:0)	1-linolenoyl-GPC (18:3)*	1-linoleoyl-2-arachidonoyl-GPC (18:2/20:4n6)*	1-linoleoyl-2-arachidonoyl-GPE (18:2/20:4)*	1-linoleoyl-2-linolenoyl-GPC (18:2/18:3)*	1-linoleoylglycerol (18:2)	1-linoleoyl-GPC (18:2)	1-linoleoyl-GPE (18:2)*	1-linoleoyl-GPG (18:2)*	1-linoleoyl-GPI* (18:2)*	1-methyl-4-imidazoleacetate	1-methyl-5-imidazoleacetate	1-methylguanidine	1-methylhistidine	1-methylnicotinamide	1-methylxanthine	1-myristoyl-2-arachidonoyl-GPC (14:0/20:4)*	1-myristoyl-2-palmitoyl-GPC (14:0/16:0)	1-oleoyl-2-arachidonoyl-GPE (18:1/20:4)*	1-oleoyl-2-docosahexaenoyl-GPC (18:1/22:6)*	1-oleoyl-2-linoleoyl-GPE (18:1/18:2)*	1-oleoylglycerol (18:1)	1-oleoyl-GPC (18:1)	1-oleoyl-GPE (18:1)	1-oleoyl-GPG (18:1)*	1-oleoyl-GPI (18:1)	1-oleoyl-GPS (18:1)	1-palmitoleoyl-2-linolenoyl-GPC (16:1/18:3)*	1-palmitoleoylglycerol (16:1)*	1-palmitoleoyl-GPC* (16:1)*	1-palmitoyl-2-arachidonoyl-GPC (16:0/20:4n6)	1-palmitoyl-2-arachidonoyl-GPE (16:0/20:4)*	1-palmitoyl-2-arachidonoyl-GPI (16:0/20:4)*	1-palmitoyl-2-docosahexaenoyl-GPC (16:0/22:6)	1-palmitoyl-2-docosahexaenoyl-GPE (16:0/22:6)*	1-palmitoyl-2-linoleoyl-GPC (16:0/18:2)	1-palmitoyl-2-linoleoyl-GPE (16:0/18:2)	1-palmitoyl-2-linoleoyl-GPI (16:0/18:2)	1-palmitoyl-2-oleoyl-GPC (16:0/18:1)	1-palmitoyl-2-oleoyl-GPE (16:0/18:1)	1-palmitoyl-2-palmitoleoyl-GPC (16:0/16:1)*	1-palmitoyl-2-stearoyl-GPC (16:0/18:0)	1-palmitoyl-GPC (16:0)	1-palmitoyl-GPE (16:0)	1-palmitoyl-GPG (16:0)*	1-palmitoyl-GPI* (16:0)	1-pentadecanoyl-2-linoleoyl-GPC (15:0/18:2)*	1-ribosyl-imidazoleacetate*	1-stearoyl-2-arachidonoyl-GPC (18:0/20:4)	1-stearoyl-2-arachidonoyl-GPE (18:0/20:4)	1-stearoyl-2-arachidonoyl-GPI (18:0/20:4)	1-stearoyl-2-arachidonoyl-GPS (18:0/20:4)	1-stearoyl-2-docosahexaenoyl-GPC (18:0/22:6)	1-stearoyl-2-docosahexaenoyl-GPE (18:0/22:6)*	1-stearoyl-2-linoleoyl-GPC (18:0/18:2)*	1-stearoyl-2-linoleoyl-GPE (18:0/18:2)*	1-stearoyl-2-linoleoyl-GPI (18:0/18:2)	1-stearoyl-2-oleoyl-GPC (18:0/18:1)	1-stearoyl-2-oleoyl-GPE (18:0/18:1)	1-stearoyl-2-oleoyl-GPS (18:0/18:1)	1-stearoyl-GPC (18:0)	1-stearoyl-GPE (18:0)	1-stearoyl-GPG (18:0)	1-stearoyl-GPI (18:0)	1-stearoyl-GPS (18:0)*	2,3-dihydroxy-2-methylbutyrate	2,3-dihydroxy-5-methylthio-4-pentenoate (DMTPA)*	2,3-dihydroxyisovalerate	2,6-dihydroxybenzoic acid	21-hydroxypregnenolone disulfate	2-aminobutyrate	2-aminoheptanoate	2-aminooctanoate	2-aminophenol sulfate	2-ethylphenylsulfate	2-hydroxy-3-methylvalerate	2-hydroxyacetaminophen sulfate*	2-hydroxyarachidate*	2-hydroxybehenate	2-hydroxybutyrate/2-hydroxyisobutyrate	2-hydroxydecanoate	2-hydroxyfluorene sulfate	2-hydroxyheptanoate*	2-hydroxyhippurate (salicylurate)	2-hydroxylaurate	2-hydroxynervonate*	2-hydroxyoctanoate	2-hydroxypalmitate	2-hydroxyphytanate*	2-hydroxysebacate	2-hydroxystearate	2-ketocaprylate	2-linoleoylglycerol (18:2)	2-methoxyacetaminophen glucuronide*	2-methoxyacetaminophen sulfate*	2-methoxyresorcinol sulfate	2-methylbutyrylcarnitine (C5)	2-naphthol sulfate	2-oleoylglycerol (18:1)	2'-O-methylcytidine	2'-O-methyluridine	2-palmitoyl-GPC* (16:0)*	2-piperidinone	2S,3R-dihydroxybutyrate	2-stearoyl-GPE (18:0)*	3-(3-hydroxyphenyl)propionate	3-(3-hydroxyphenyl)propionate sulfate	3-(4-hydroxyphenyl)lactate (HPLA)	3-(cystein-S-yl)acetaminophen*	3-(methylthio)acetaminophen sulfate*	3-(N-acetyl-L-cystein-S-yl) acetaminophen	3,4-dihydroxybutyrate	3,4-methyleneheptanoate	3,4-methyleneheptanoylcarnitine	3,5-dichloro-2,6-dihydroxybenzoic acid	3,7-dimethylurate	3-acetylphenol sulfate	3-amino-2-piperidone	3-aminoisobutyrate	3beta-hydroxy-5-cholestenoate	3-bromo-5-chloro-2,6-dihydroxybenzoic acid*	3-carboxy-4-methyl-5-pentyl-2-furanpropionate (3-CMPFP)	3-carboxy-4-methyl-5-propyl-2-furanpropanoate (CMPF)	3-decenoylcarnitine	3-ethylcatechol sulfate (1)	3-formylindole	3-hydroxy-2-ethylpropionate	3-hydroxy-2-methylpyridine sulfate	3-hydroxy-3-methylglutarate	3-hydroxyadipate*	3-hydroxybutyrate (BHBA)	3-hydroxybutyroylglycine	3-hydroxydecanoate	3-hydroxydodecanedioate*	3-hydroxyhexanoate	3-hydroxyhexanoylcarnitine (1)	3-hydroxyhippurate	3-hydroxyisobutyrate	3-hydroxylaurate	3-hydroxyoctanoate	3-hydroxypyridine sulfate	3-hydroxysebacate	3-hydroxystachydrine*	3-indoleglyoxylic acid	3-indoxyl sulfate	3-methoxycatechol sulfate (1)	3-methoxytyramine sulfate	3-methoxytyrosine	3-methyl catechol sulfate (1)	3-methyl-2-oxobutyrate	3-methyl-2-oxovalerate	3-methyladipate	3-methylglutaconate	3-methylglutarylcarnitine (2)	3-methylhistidine	3-methylxanthine	3-phenylpropionate (hydrocinnamate)	3-phosphoglycerate	3-ureidopropionate	4-acetamidobutanoate	4-acetamidophenol	4-acetamidophenylglucuronide	4-acetaminophen sulfate	4-acetylphenyl sulfate	4-allylcatechol sulfate	4-allylphenol sulfate	4-cholesten-3-one	4-ethylphenol glucuronide	4-ethylphenyl sulfate	4-guanidinobutanoate	4-hydroxychlorothalonil	4-hydroxycoumarin	4-hydroxyhippurate	4-imidazoleacetate	4-methoxyphenol sulfate	4-methyl-2-oxopentanoate	4-methylcatechol sulfate	4-methylguaiacol sulfate	4-methylnonanoylcarnitine	4-vinylguaiacol sulfate	4-vinylphenol sulfate	5-(galactosylhydroxy)-L-lysine	5,6-dihydrothymine	5,6-dihydrouridine	5-acetylamino-6-amino-3-methyluracil	5-acetylamino-6-formylamino-3-methyluracil	5alpha-androstan-3alpha,17beta-diol disulfate	5alpha-androstan-3alpha,17beta-diol monosulfate (1)	5alpha-androstan-3alpha,17beta-diol monosulfate (2)	5alpha-androstan-3beta,17alpha-diol disulfate	5alpha-androstan-3beta,17beta-diol disulfate	5alpha-androstan-3beta,17beta-diol monosulfate (2)	5alpha-pregnan-3beta,20alpha-diol disulfate	5alpha-pregnan-3beta,20alpha-diol monosulfate (2)	5alpha-pregnan-3beta,20beta-diol monosulfate (1)	5alpha-pregnan-diol disulfate	5-bromotryptophan	5-dodecenoylcarnitine (C12:1)	5-hydroxy-2-methylpyridine sulfate	5-hydroxylysine	5-methylthioadenosine (MTA)	5-methyluridine (ribothymidine)	5-oxoproline	6-hydroxyindole sulfate	6-oxopiperidine-2-carboxylate	7-HOCA	7-dehydrocholesterol	7-methylguanine	7-methylxanthine	8-hydroxyoctanoate	9,10-DiHOME	9-hydroxystearate	acesulfame	acetylcarnitine (C2)	acisoga	aconitate [cis or trans]	adenine	AMP	alanine	allantoin	alliin	alpha-CEHC sulfate	alpha-hydroxyisocaproate	alpha-hydroxyisovalerate	alpha-hydroxymetoprolol	alpha-ketoglutaramate*	alpha-ketoglutarate	alpha-tocopherol	amoxicillin	andro steroid monosulfate C19H28O6S (1)*	androstenediol (3alpha, 17alpha) monosulfate (2)	androstenediol (3alpha, 17alpha) monosulfate (3)	androstenediol (3beta,17beta) disulfate (1)	androstenediol (3beta,17beta) disulfate (2)	androstenediol (3beta,17beta) monosulfate (1)	androstenediol (3beta,17beta) monosulfate (2)	androsterone glucuronide	androsterone sulfate	arabinose	arabitol/xylitol	arabonate/xylonate	arachidate (20:0)	arachidonate (20:4n6)	arachidonoylcarnitine (C20:4)	arachidonoylcholine	arachidoylcarnitine (C20)*	argininate*	arginine	ascorbic acid 2-sulfate	ascorbic acid 3-sulfate*	asparagine	aspartate	azelate (nonanedioate; C9)	behenoyl dihydrosphingomyelin (d18:0/22:0)*	behenoyl sphingomyelin (d18:1/22:0)*	behenoylcarnitine (C22)*	benzoate	benzoylecgonine	beta-citrylglutamate	beta-cryptoxanthin	beta-hydroxyisovalerate	betaine	beta-sitosterol	betonicine	bilirubin (E,E)*	bilirubin (E,Z or Z,E)*	bilirubin	biliverdin	bradykinin	bradykinin, des-arg(9)	branched chain 14:0 dicarboxylic acid	branched-chain, straight-chain, or cyclopropyl 10:1 fatty acid (1)*	branched-chain, straight-chain, or cyclopropyl 12:1 fatty acid*	butyrylcarnitine (C4)	caffeic acid sulfate	caffeine	campesterol	caproate (6:0)	caprylate (8:0)	carbamazepine	carbamazepine 10,11-epoxide*	carbamazepine glucuronide*	carboxyethyl-GABA	carnitine	carotene diol (1)	carotene diol (2)	carotene diol (3)	catechol sulfate	cephalexin	ceramide (d16:1/24:1, d18:1/22:1)*	ceramide (d18:1/14:0, d16:1/16:0)*	ceramide (d18:1/20:0, d16:1/22:0, d20:1/18:0)*	ceramide (d18:2/24:1, d18:1/24:2)*	cerotoylcarnitine (C26)*	C-glycosyltryptophan	chenodeoxycholate	chiro-inositol	cholate	cholesterol	choline	phosphocholine	cimetidine	cinnamoylglycine	cis-4-decenoate (10:1n6)*	cis-4-decenoylcarnitine (C10:1)	citrate	citrulline	clindamycin	cortisol	cortisone	cortolone glucuronide (1)	cotinine	cotinine N-oxide	creatine	creatinine	crotonylbetaine	cys-gly, oxidized	cystathionine	cysteine	cysteine s-sulfate	cysteine sulfinic acid	cysteine-glutathione disulfide	cysteinylglycine	cysteinylglycine disulfide*	cystine	cytosine	daidzein	daidzein sulfate (2)	decadienedioic acid (C10:2-DC)	decanoylcarnitine (C10)	dehydroepiandrosterone sulfate (DHEA-S)	delta-CEHC	delta-CEHC glucuronide*	delta-tocopherol	deoxycarnitine	deoxycholate	deoxycholic acid (12 or 24)-sulfate*	deoxycholic acid glucuronide	diacylglycerol (16:1/18:2 [2], 16:0/18:3 [1])*	dihomolinoleate (20:2n6)	dihomolinolenate (20:3n3 or 3n6)	dihomo-linolenoylcarnitine (C20:3n3 or 6)*	dihomo-linolenoyl-choline	dihomo-linoleoylcarnitine (C20:2)*	dihydrocaffeate sulfate (2)	dihydroorotate	dimethyl sulfone	dimethylarginine (ADMA + SDMA)	dimethylglycine	docosadienoate (22:2n6)	docosadioate (C22-DC)	docosahexaenoate (DHA; 22:6n3)	docosahexaenoylcholine	docosapentaenoate (DPA; 22:5n3)	docosapentaenoate (n6 DPA; 22:5n6)	dodecadienoate (12:2)*	dodecanedioate (C12)	dodecenedioate (C12:1-DC)*	dopamine 3-O-sulfate	ectoine	EDTA	eicosanedioate (C20-DC)	eicosapentaenoate (EPA; 20:5n3)	eicosenedioate (C20:1-DC)*	eicosenoate (20:1n9 or 1n11)	eicosenoylcarnitine (C20:1)*	epiandrosterone sulfate	equol sulfate	ergothioneine	erucate (22:1n9)	erucoylcarnitine (C22:1)*	erythritol	erythronate*	ethyl glucuronide	ethylmalonate	etiocholanolone glucuronide	eugenol sulfate	ferulic acid 4-sulfate	DSGEGDFXAEGGGVR*	fluoxetine	fructose	fumarate	galactonate	gamma-carboxyglutamate	gamma-CEHC	gamma-CEHC glucuronide*	gamma-glutamylalanine	gamma-glutamyl-alpha-lysine	gamma-glutamylcitrulline*	gamma-glutamyl-epsilon-lysine	gamma-glutamylglutamate	gamma-glutamylglutamine	gamma-glutamylglycine	gamma-glutamylhistidine	gamma-glutamylisoleucine*	gamma-glutamylleucine	gamma-glutamylmethionine	gamma-glutamylphenylalanine	gamma-glutamylthreonine	gamma-glutamyltryptophan	gamma-glutamyltyrosine	gamma-glutamylvaline	gamma-tocopherol/beta-tocopherol	gemfibrozil	genistein sulfate*	gentisate	gluconate	glucose	glucuronate	glucuronide of C10H18O2 (7)*	glucuronide of C10H18O2 (8)*	glucuronide of C12H22O4 (1)*	glucuronide of C14H26O4 (1)*	glucuronide of C14H26O4 (2)*	glutamate	glutamine	glutamine conjugate of C6H10O2 (1)*	glutamine conjugate of C6H10O2 (2)*	glutamine conjugate of C7H12O2*	glutarate (C5-DC)	glutaroylcarnitine (C5)	glycerate	glycerol	glycerol 3-phosphate	glycerophosphoethanolamine	glycerophosphoglycerol	glycerophosphorylcholine (GPC)	glycine	glycine conjugate of C10H14O2 (1)*	glyco-alpha-muricholate	glyco-beta-muricholate	glycochenodeoxycholate	glycochenodeoxycholate 3-sulfate	glycochenodeoxycholate glucuronide (1)	glycocholate	glycocholenate sulfate*	glycodeoxycholate	glycodeoxycholate 3-sulfate	glycohyocholate	glycolithocholate	glycolithocholate sulfate*	glycosyl ceramide (d18:1/20:0, d16:1/22:0)*	glycosyl ceramide (d18:2/24:1, d18:1/24:2)*	glycosyl-N-behenoyl-sphingadienine (d18:2/22:0)*	glycosyl-N-nervonoyl-sphingosine (d18:1/24:1)*	glycosyl-N-palmitoyl-sphingosine (d18:1/16:0)	glycosyl-N-stearoyl-sphingosine (d18:1/18:0)	glycoursodeoxycholate	guaiacol sulfate	guanidinoacetate	gulonate*	heme	heptanoate (7:0)	heptenedioate (C7:1-DC)*	hexadecadienoate (16:2n6)	hexadecanedioate (C16)	hexadecenedioate (C16:1-DC)*	hexanoylcarnitine (C6)	hexanoylglutamine	hexanoylglycine (C6)	hippurate	histidine	homoarginine	homocitrulline	homostachydrine*	hydantoin-5-propionate	hydrochlorothiazide	hydroquinone sulfate	hydroxyasparagine	hydroxy-CMPF*	hydroxycotinine	hydroxy-N6,N6,N6-trimethyllysine*	hydroxypalmitoyl sphingomyelin (d18:1/16:0(OH))	hypotaurine	hypoxanthine	imidazole lactate	imidazole propionate	iminodiacetate (IDA)	indole-3-carboxylate	indoleacetate	indoleacetylglutamine	indolelactate	indolepropionate	indolin-2-one	indomethacin	inosine	isobutyrylcarnitine (C4)	isobutyrylglycine (C4)	isoleucine	isoleucylglycine	isopropylmaleate	isoursodeoxycholate	isoursodeoxycholate sulfate (1)	isovalerate (C5)	isovalerylcarnitine (C5)	isovalerylglycine	kynurenate	kynurenine	lactate	lactosyl-N-nervonoyl-sphingosine (d18:1/24:1)*	lactosyl-N-palmitoyl-sphingosine (d18:1/16:0)	lanthionine	laurate (12:0)	laurylcarnitine (C12)	leucine	leucylglycine	levulinoylcarnitine	lignoceroyl sphingomyelin (d18:1/24:0)	lignoceroylcarnitine (C24)*	linoleate (18:2n6)	linolenate (18:3n3 or 3n6)	linolenoylcarnitine (C18:3)*	linoleoyl ethanolamide	linoleoyl-arachidonoyl-glycerol (18:2/20:4) [1]*	linoleoyl-arachidonoyl-glycerol (18:2/20:4) [2]*	linoleoylcarnitine (C18:2)*	linoleoylcholine*	linoleoyl-linolenoyl-glycerol (18:2/18:3) [2]*	linoleoyl-linoleoyl-glycerol (18:2/18:2) [1]*	lithocholate sulfate (1)	lysine	malate	maleate	maltol sulfate	maltose	maltotriose	mannitol/sorbitol	mannonate*	mannose	margarate (17:0)	margaroylcarnitine (C17)*	metformin	methionine	methionine sulfone	methionine sulfoxide	methyl glucopyranoside (alpha + beta)	methyl indole-3-acetate	methyl-4-hydroxybenzoate sulfate	methylmalonate (MMA)	methylnaphthyl sulfate (2)*	methylsuccinate	metoprolol	metoprolol acid metabolite*	metronidazole	myo-inositol	myristoleate (14:1n5)	myristoleoylcarnitine (C14:1)*	myristoyl dihydrosphingomyelin (d18:0/14:0)*	myristoylcarnitine (C14)	N-(2-furoyl)glycine	N,N,N-trimethyl-5-aminovalerate	N,N,N-trimethyl-alanylproline betaine (TMAP)	N,N-dimethylalanine	N1-Methyl-2-pyridone-5-carboxamide	1-methyladenosine	N1-methylinosine	N2,N2-dimethylguanosine	N2,N5-diacetylornithine	N2-acetyl,N6,N6-dimethyllysine	N2-acetyl,N6-methyllysine	N4-acetyl-5-hydroxysulfamethoxazole*	N4-acetylsulfamethoxazole*	N6,N6,N6-trimethyllysine	N6,N6-dimethyllysine	N6-acetyllysine	N6-carbamoylthreonyladenosine	N6-methyllysine	N-acetyl-1-methylhistidine*	N-acetyl-2-aminooctanoate*	N-acetylalanine	N-acetylalliin	N-acetylarginine	N-acetylaspartate (NAA)	N-acetyl-beta-alanine	N-acetyl-cadaverine	N-acetylcarnosine	N-acetylcitrulline	N-acetylglucosamine/N-acetylgalactosamine	N-acetylglutamate	N-acetylglutamine	N-acetylglycine	N-acetylhistidine	N-acetylisoleucine	N-acetyl-isoputreanine	N-acetylleucine	N-acetylmethionine	N-acetylneuraminate	N-acetylphenylalanine	N-acetylputrescine	N-acetyl-S-allyl-L-cysteine	N-acetylserine	N-acetyltaurine	N-acetyltheanine	N-acetylthreonine	N-acetyltryptophan	N-acetyltyrosine	N-acetylvaline	N-behenoyl-sphingadienine (d18:2/22:0)*	N-carbamoylvaline	N-delta-acetylornithine	N-desalkylquetiapine*	nervonoylcarnitine (C24:1)*	N-formylanthranilic acid	N-formylmethionine	N-formylphenylalanine	nicotinamide	N-methylhydroxyproline	N-methylproline	N-oleoylserine	N-oleoyltaurine	nonadecanoate (19:0)	nonanoylcarnitine (C9)	norcotinine	norfluoxetine	N-palmitoylglycine	N-palmitoylserine	N-palmitoyl-sphingadienine (d18:2/16:0)*	N-palmitoyl-sphinganine (d18:0/16:0)	N-palmitoyl-sphingosine (d18:1/16:0)	N-stearoyl-sphingosine (d18:1/18:0)*	o-cresol sulfate	octadecadienedioate (C18:2-DC)*	octadecanedioylcarnitine (C18-DC)*	octadecenedioate (C18:1-DC)*	octadecenedioylcarnitine (C18:1-DC)*	octanoylcarnitine (C8)	ofloxacin	oleate/vaccenate (18:1)	oleoyl-arachidonoyl-glycerol (18:1/20:4) [1]*	oleoyl-arachidonoyl-glycerol (18:1/20:4) [2]*	oleoylcarnitine (C18)	oleoylcholine	oleoyl-linoleoyl-glycerol (18:1/18:2) [1]	oleoyl-linoleoyl-glycerol (18:1/18:2) [2]	ornithine	orotate	orotidine	O-sulfo-L-tyrosine	oxalate (ethanedioate)	palmitoleate (16:1n7)	palmitoleoyl-arachidonoyl-glycerol (16:1/20:4) [2]*	palmitoleoylcarnitine (C16:1)*	palmitoleoyl-linoleoyl-glycerol (16:1/18:2) [1]*	palmitoyl dihydrosphingomyelin (d18:0/16:0)*	palmitoyl sphingomyelin (d18:1/16:0)	palmitoylcarnitine (C16)	palmitoylcholine	palmitoyl-docosahexaenoyl-glycerol (16:0/22:6) [1]*	palmitoyl-linoleoyl-glycerol (16:0/18:2) [1]*	palmitoyl-linoleoyl-glycerol (16:0/18:2) [2]*	palmitoyl-sphingosine-phosphoethanolamine (d18:1/16:0)	pantothenate (Vitamin B5)	paraxanthine	p-cresol glucuronide*	p-cresol sulfate	pentadecanoate (15:0)	pentose acid*	perfluorooctanesulfonate (PFOS)	perfluorooctanoate (PFOA)	phenol glucuronide	phenol sulfate	phenolphthalein beta-D-glucuronide	phenylacetate	phenylacetylcarnitine	phenylacetylglutamine	phenylalanine	phenyllactate (PLA)	phenylpyruvate	phosphate	phosphoethanolamine (PE)	picolinoylglycine	pimelate (C7-DC)	pipecolate	piperine	pregnanediol-3-glucuronide	pregnanolone/allopregnanolone sulfate	pregnen-diol disulfate*	pregnenediol sulfate (C21H34O5S)*	pregnenetriol disulfate*	pregnenetriol sulfate*	pregnenolone sulfate	prolylhydroxyproline	proline	prolylglycine	propionylcarnitine (C3)	propionylglycine (C3)	propyl 4-hydroxybenzoate sulfate	pseudouridine	pyridoxate	pyroglutamine*	pyrraline	pyruvate	quetiapine	quinate	ranitidine	ranitidine N-oxide*	retinol (Vitamin A)	ribitol	ribonate (ribonolactone)	ribulonate/xylulonate/lyxonate*	S-1-pyrroline-5-carboxylate	saccharin	S-adenosylhomocysteine (SAH)	salicylate	salicyluric glucuronide*	S-allylcysteine	sarcosine	sebacate (C10-DC)	serine	serotonin	S-methylcysteine	S-methylcysteine sulfoxide	S-methylmethionine	spermidine	spermine	sphinganine	sphinganine-1-phosphate	sphingomyelin (d17:1/14:0, d16:1/15:0)*	sphingomyelin (d17:1/16:0, d18:1/15:0, d16:1/17:0)*	sphingomyelin (d17:2/16:0, d18:2/15:0)*	sphingomyelin (d18:0/18:0, d19:0/17:0)*	sphingomyelin (d18:0/20:0, d16:0/22:0)*	sphingomyelin (d18:1/14:0, d16:1/16:0)*	sphingomyelin (d18:1/17:0, d17:1/18:0, d19:1/16:0)	sphingomyelin (d18:1/18:1, d18:2/18:0)	sphingomyelin (d18:1/19:0, d19:1/18:0)*	sphingomyelin (d18:1/20:0, d16:1/22:0)*	sphingomyelin (d18:1/20:1, d18:2/20:0)*	sphingomyelin (d18:1/20:2, d18:2/20:1, d16:1/22:2)*	sphingomyelin (d18:1/21:0, d17:1/22:0, d16:1/23:0)*	sphingomyelin (d18:1/22:1, d18:2/22:0, d16:1/24:1)*	sphingomyelin (d18:1/22:2, d18:2/22:1, d16:1/24:2)*	sphingomyelin (d18:1/24:1, d18:2/24:0)*	sphingomyelin (d18:1/25:0, d19:0/24:1, d20:1/23:0, d19:1/24:0)*	sphingomyelin (d18:2/14:0, d18:1/14:1)*	sphingomyelin (d18:2/16:0, d18:1/16:1)*	sphingomyelin (d18:2/18:1)*	sphingomyelin (d18:2/21:0, d16:2/23:0)*	sphingomyelin (d18:2/23:0, d18:1/23:1, d17:1/24:1)*	sphingomyelin (d18:2/23:1)*	sphingomyelin (d18:2/24:1, d18:1/24:2)*	sphingomyelin (d18:2/24:2)*	sphingosine	sphingosine 1-phosphate	stachydrine	stearidonate (18:4n3)	stearoyl sphingomyelin (d18:1/18:0)	stearoylcarnitine (C18)	stearoylcholine*	suberate (C8-DC)	succinate	succinimide	succinylcarnitine (C4)	sucrose	sulfamethoxazole	sulfate of piperine metabolite C16H19NO3 (2)*	sulfate of piperine metabolite C16H19NO3 (3)*	sulfate*	tartarate	tartronate (hydroxymalonate)	taurine	taurochenodeoxycholate	taurochenodeoxycholic acid 3-sulfate	taurocholate	taurocholenate sulfate*	taurodeoxycholate	taurodeoxycholic acid 3-sulfate	taurolithocholate 3-sulfate	tauroursodeoxycholate	tetradecadienedioate (C14:2-DC)*	tetradecadienoate (14:2)*	tetradecanedioate (C14)	theanine	theobromine	theophylline	thioproline	threonate	threonine	thymol sulfate	thyroxine	tiglyl carnitine (C5)	hydroxyproline	trans-urocanate	tricosanoyl sphingomyelin (d18:1/23:0)*	tridecenedioate (C13:1-DC)*	trigonelline (N'-methylnicotinate)	trimethylamine N-oxide	tryptophan	tryptophan betaine	tyramine O-sulfate	tyrosine	umbelliferone sulfate	uracil	urate	urea	uridine	ursodeoxycholate	ursodeoxycholate sulfate (1)	valerate (5:0)	valine	vanillactate	vanillic alcohol sulfate	vanillylmandelate (VMA)	xanthine	xanthurenate	ximenoylcarnitine (C26:1)*	xylose	X - 07765	X - 10458	X - 11261	X - 11299	X - 11308	X - 11315	X - 11372	X - 11378	X - 11381	X - 11407	X - 11441	X - 11442	X - 11444	X - 11470	X - 11478	X - 11522	X - 11530	X - 11632	X - 11787	X - 11795	X - 11843	X - 11847	X - 11849	X - 11850	X - 11852	X - 11858	X - 11880	X - 12007	X - 12013	X - 12026	X - 12100	X - 12101	X - 12104	X - 12117	X - 12127	X - 12193	X - 12216	X - 12221	X - 12261	X - 12283	X - 12306	X - 12407	X - 12410	X - 12411	X - 12456	X - 12524	X - 12543	X - 12680	X - 12707	X - 12729	X - 12730	X - 12738	X - 12740	X - 12812	X - 12822	X - 12844	X - 12847	X - 12849	X - 12851	X - 12906	X - 13007	X - 13431	X - 13553	X - 13658	X - 13684	X - 13695	X - 13728	X - 13729	X - 13835	X - 13866	X - 14056	X - 14662 - retired for glycoursodeoxycholate sulfate (1)	X - 14904	X - 14939	X - 15245	X - 15461	X - 15469	X - 15486	X - 15492	X - 15503	X - 15728	X - 16087	X - 16124	X - 16397	X - 16570	X - 16580	X - 16649	X - 16935	X - 16938	X - 16944	X - 16946	X - 16964	X - 17010	X - 17146	X - 17185	X - 17325	X - 17335	X - 17340	X - 17346	X - 17351	X - 17357	X - 17438	X - 17612	X - 17653	X - 17655	X - 17676	X - 17685	X - 17689	X - 17690	X - 17704	X - 17765	X - 18345	X - 18886	X - 18888	X - 18901	X - 18913	X - 18921	X - 19141	X - 19438	X - 21258	X - 21286	X - 21295	X - 21310	X - 21315	X - 21319	X - 21339	X - 21342	X - 21353	X - 21364	X - 21441	X - 21448	X - 21467	X - 21470	X - 21471	X - 21607	X - 21729 - retired for butyrate (4:0)	X - 21733	X - 21736	X - 21785	X - 21796	X - 21821	X - 21829	X - 21959	X - 22162	X - 22519	X - 22771	X - 22775	X - 23276	X - 23314	X - 23587	X - 23636	X - 23639	X - 23644	X - 23648	X - 23662	X - 23680	X - 23739	X - 23780	X - 23782	X - 23997	X - 24077 - retired for 2-hydroxy-4-(methylthio)butanoic acid	X - 24241	X - 24243	X - 24295	X - 24306	X - 24307	X - 24328	X - 24337	X - 24431	X - 24432	X - 24455	X - 24456	X - 24542 - retired for vanillic acid glycine	X - 24544	X - 24546	X - 24565	X - 24588	X - 24637	X - 24686	X - 24699	X - 24736	X - 24813	X - 24849	X - 24947	X - 24949	X - 24951	X - 24952	X - 25172	X - 25212	X - 25271	X - 25343	X - 25371	X - 25417	X - 25419	X - 25422	X - 25519

VolNormImpData (VAND-0201-17ML+ CLIENT DATA TABLES ADDED METABOLITES)

Sample_ID	(14 or 15)-methylpalmitate (a17:0 or i17:0)	(16 or 17)-methylstearate (a19:0 or i19:0)	(2 or 3)-decenoate (10:1n7 or n8)	(2,4 or 2,5)-dimethylphenol sulfate	(N(1) + N(8))-acetylspermidine	(R)-3-hydroxybutyrylcarnitine	(S)-3-hydroxybutyrylcarnitine	1-(1-enyl-oleoyl)-2-docosahexaenoyl-GPE (P-18:1/22:6)*	1-(1-enyl-oleoyl)-GPE (P-18:1)*	1-(1-enyl-palmitoyl)-2-arachidonoyl-GPC (P-16:0/20:4)*	1-(1-enyl-palmitoyl)-2-arachidonoyl-GPE (P-16:0/20:4)*	1-(1-enyl-palmitoyl)-2-linoleoyl-GPC (P-16:0/18:2)*	1-(1-enyl-palmitoyl)-2-linoleoyl-GPE (P-16:0/18:2)*	1-(1-enyl-palmitoyl)-2-oleoyl-GPC (P-16:0/18:1)*	1-(1-enyl-palmitoyl)-2-oleoyl-GPE (P-16:0/18:1)*	1-(1-enyl-palmitoyl)-2-palmitoleoyl-GPC (P-16:0/16:1)*	1-(1-enyl-palmitoyl)-2-palmitoyl-GPC (P-16:0/16:0)*	1-(1-enyl-palmitoyl)-GPC (P-16:0)*	1-(1-enyl-palmitoyl)-GPE (P-16:0)*	1-(1-enyl-stearoyl)-2-arachidonoyl-GPE (P-18:0/20:4)*	1-(1-enyl-stearoyl)-2-docosahexaenoyl-GPE (P-18:0/22:6)*	1-(1-enyl-stearoyl)-2-linoleoyl-GPE (P-18:0/18:2)*	1-(1-enyl-stearoyl)-2-oleoyl-GPE (P-18:0/18:1)	1-(1-enyl-stearoyl)-GPE (P-18:0)*	1,2,3-benzenetriol sulfate (2)	1,2-dilinoleoyl-GPC (18:2/18:2)	1,2-dipalmitoyl-GPC (16:0/16:0)	1,3,7-trimethylurate	1,3-dimethylurate	1,5-anhydroglucitol (1,5-AG)	1,7-dimethylurate	10,11-dihydro-10-hydroxycarbamazepine	10-heptadecenoate (17:1n7)	10-nonadecenoate (19:1n9)	10-undecenoate (11:1n1)	11beta-hydroxyandrosterone glucuronide	12,13-DiHOME	13-HODE + 9-HODE	16a-hydroxy DHEA 3-sulfate	17alpha-hydroxypregnenolone 3-sulfate	1-arachidonoyl-GPC* (20:4)*	1-arachidonoyl-GPE (20:4n6)*	1-arachidonoyl-GPI* (20:4)*	1-arachidonylglycerol (20:4)	1-carboxyethylisoleucine	1-carboxyethylleucine	1-carboxyethylphenylalanine	1-carboxyethyltyrosine	1-carboxyethylvaline	1H-indole-7-acetic acid	1-lignoceroyl-GPC (24:0)	1-linolenoyl-GPC (18:3)*	1-linoleoyl-2-arachidonoyl-GPC (18:2/20:4n6)*	1-linoleoyl-2-arachidonoyl-GPE (18:2/20:4)*	1-linoleoyl-2-linolenoyl-GPC (18:2/18:3)*	1-linoleoylglycerol (18:2)	1-linoleoyl-GPC (18:2)	1-linoleoyl-GPE (18:2)*	1-linoleoyl-GPG (18:2)*	1-linoleoyl-GPI* (18:2)*	1-methyl-4-imidazoleacetate	1-methyl-5-imidazoleacetate	1-methylguanidine	1-methylhistidine	1-methylnicotinamide	1-methylxanthine	1-myristoyl-2-arachidonoyl-GPC (14:0/20:4)*	1-myristoyl-2-palmitoyl-GPC (14:0/16:0)	1-oleoyl-2-arachidonoyl-GPE (18:1/20:4)*	1-oleoyl-2-docosahexaenoyl-GPC (18:1/22:6)*	1-oleoyl-2-linoleoyl-GPE (18:1/18:2)*	1-oleoylglycerol (18:1)	1-oleoyl-GPC (18:1)	1-oleoyl-GPE (18:1)	1-oleoyl-GPG (18:1)*	1-oleoyl-GPI (18:1)	1-oleoyl-GPS (18:1)	1-palmitoleoyl-2-linolenoyl-GPC (16:1/18:3)*	1-palmitoleoylglycerol (16:1)*	1-palmitoleoyl-GPC* (16:1)*	1-palmitoyl-2-arachidonoyl-GPC (16:0/20:4n6)	1-palmitoyl-2-arachidonoyl-GPE (16:0/20:4)*	1-palmitoyl-2-arachidonoyl-GPI (16:0/20:4)*	1-palmitoyl-2-docosahexaenoyl-GPC (16:0/22:6)	1-palmitoyl-2-docosahexaenoyl-GPE (16:0/22:6)*	1-palmitoyl-2-linoleoyl-GPC (16:0/18:2)	1-palmitoyl-2-linoleoyl-GPE (16:0/18:2)	1-palmitoyl-2-linoleoyl-GPI (16:0/18:2)	1-palmitoyl-2-oleoyl-GPC (16:0/18:1)	1-palmitoyl-2-oleoyl-GPE (16:0/18:1)	1-palmitoyl-2-palmitoleoyl-GPC (16:0/16:1)*	1-palmitoyl-2-stearoyl-GPC (16:0/18:0)	1-palmitoyl-GPC (16:0)	1-palmitoyl-GPE (16:0)	1-palmitoyl-GPG (16:0)*	1-palmitoyl-GPI* (16:0)	1-pentadecanoyl-2-linoleoyl-GPC (15:0/18:2)*	1-ribosyl-imidazoleacetate*	1-stearoyl-2-arachidonoyl-GPC (18:0/20:4)	1-stearoyl-2-arachidonoyl-GPE (18:0/20:4)	1-stearoyl-2-arachidonoyl-GPI (18:0/20:4)	1-stearoyl-2-arachidonoyl-GPS (18:0/20:4)	1-stearoyl-2-docosahexaenoyl-GPC (18:0/22:6)	1-stearoyl-2-docosahexaenoyl-GPE (18:0/22:6)*	1-stearoyl-2-linoleoyl-GPC (18:0/18:2)*	1-stearoyl-2-linoleoyl-GPE (18:0/18:2)*	1-stearoyl-2-linoleoyl-GPI (18:0/18:2)	1-stearoyl-2-oleoyl-GPC (18:0/18:1)	1-stearoyl-2-oleoyl-GPE (18:0/18:1)	1-stearoyl-2-oleoyl-GPS (18:0/18:1)	1-stearoyl-GPC (18:0)	1-stearoyl-GPE (18:0)	1-stearoyl-GPG (18:0)	1-stearoyl-GPI (18:0)	1-stearoyl-GPS (18:0)*	2,3-dihydroxy-2-methylbutyrate	2,3-dihydroxy-5-methylthio-4-pentenoate (DMTPA)*	2,3-dihydroxyisovalerate	2,6-dihydroxybenzoic acid	21-hydroxypregnenolone disulfate	2-aminobutyrate	2-aminoheptanoate	2-aminooctanoate	2-aminophenol sulfate	2-ethylphenylsulfate	2-hydroxy-3-methylvalerate	2-hydroxyacetaminophen sulfate*	2-hydroxyarachidate*	2-hydroxybehenate	2-hydroxybutyrate/2-hydroxyisobutyrate	2-hydroxydecanoate	2-hydroxyfluorene sulfate	2-hydroxyheptanoate*	2-hydroxyhippurate (salicylurate)	2-hydroxylaurate	2-hydroxynervonate*	2-hydroxyoctanoate	2-hydroxypalmitate	2-hydroxyphytanate*	2-hydroxysebacate	2-hydroxystearate	2-ketocaprylate	2-linoleoylglycerol (18:2)	2-methoxyacetaminophen glucuronide*	2-methoxyacetaminophen sulfate*	2-methoxyresorcinol sulfate	2-methylbutyrylcarnitine (C5)	2-naphthol sulfate	2-oleoylglycerol (18:1)	2'-O-methylcytidine	2'-O-methyluridine	2-palmitoyl-GPC* (16:0)*	2-piperidinone	2S,3R-dihydroxybutyrate	2-stearoyl-GPE (18:0)*	3-(3-hydroxyphenyl)propionate	3-(3-hydroxyphenyl)propionate sulfate	3-(4-hydroxyphenyl)lactate (HPLA)	3-(cystein-S-yl)acetaminophen*	3-(methylthio)acetaminophen sulfate*	3-(N-acetyl-L-cystein-S-yl) acetaminophen	3,4-dihydroxybutyrate	3,4-methyleneheptanoate	3,4-methyleneheptanoylcarnitine	3,5-dichloro-2,6-dihydroxybenzoic acid	3,7-dimethylurate	3-acetylphenol sulfate	3-amino-2-piperidone	3-aminoisobutyrate	3beta-hydroxy-5-cholestenoate	3-bromo-5-chloro-2,6-dihydroxybenzoic acid*	3-carboxy-4-methyl-5-pentyl-2-furanpropionate (3-CMPFP)	3-carboxy-4-methyl-5-propyl-2-furanpropanoate (CMPF)	3-decenoylcarnitine	3-ethylcatechol sulfate (1)	3-formylindole	3-hydroxy-2-ethylpropionate	3-hydroxy-2-methylpyridine sulfate	3-hydroxy-3-methylglutarate	3-hydroxyadipate*	3-hydroxybutyrate (BHBA)	3-hydroxybutyroylglycine	3-hydroxydecanoate	3-hydroxydodecanedioate*	3-hydroxyhexanoate	3-hydroxyhexanoylcarnitine (1)	3-hydroxyhippurate	3-hydroxyisobutyrate	3-hydroxylaurate	3-hydroxyoctanoate	3-hydroxypyridine sulfate	3-hydroxysebacate	3-hydroxystachydrine*	3-indoleglyoxylic acid	3-indoxyl sulfate	3-methoxycatechol sulfate (1)	3-methoxytyramine sulfate	3-methoxytyrosine	3-methyl catechol sulfate (1)	3-methyl-2-oxobutyrate	3-methyl-2-oxovalerate	3-methyladipate	3-methylglutaconate	3-methylglutarylcarnitine (2)	3-methylhistidine	3-methylxanthine	3-phenylpropionate (hydrocinnamate)	3-phosphoglycerate	3-ureidopropionate	4-acetamidobutanoate	4-acetamidophenol	4-acetamidophenylglucuronide	4-acetaminophen sulfate	4-acetylphenyl sulfate	4-allylcatechol sulfate	4-allylphenol sulfate	4-cholesten-3-one	4-ethylphenol glucuronide	4-ethylphenyl sulfate	4-guanidinobutanoate	4-hydroxychlorothalonil	4-hydroxycoumarin	4-hydroxyhippurate	4-imidazoleacetate	4-methoxyphenol sulfate	4-methyl-2-oxopentanoate	4-methylcatechol sulfate	4-methylguaiacol sulfate	4-methylnonanoylcarnitine	4-vinylguaiacol sulfate	4-vinylphenol sulfate	5-(galactosylhydroxy)-L-lysine	5,6-dihydrothymine	5,6-dihydrouridine	5-acetylamino-6-amino-3-methyluracil	5-acetylamino-6-formylamino-3-methyluracil	5alpha-androstan-3alpha,17beta-diol disulfate	5alpha-androstan-3alpha,17beta-diol monosulfate (1)	5alpha-androstan-3alpha,17beta-diol monosulfate (2)	5alpha-androstan-3beta,17alpha-diol disulfate	5alpha-androstan-3beta,17beta-diol disulfate	5alpha-androstan-3beta,17beta-diol monosulfate (2)	5alpha-pregnan-3beta,20alpha-diol disulfate	5alpha-pregnan-3beta,20alpha-diol monosulfate (2)	5alpha-pregnan-3beta,20beta-diol monosulfate (1)	5alpha-pregnan-diol disulfate	5-bromotryptophan	5-dodecenoylcarnitine (C12:1)	5-hydroxy-2-methylpyridine sulfate	5-hydroxylysine	5-methylthioadenosine (MTA)	5-methyluridine (ribothymidine)	5-oxoproline	6-hydroxyindole sulfate	6-oxopiperidine-2-carboxylate	7-HOCA	7-dehydrocholesterol	7-methylguanine	7-methylxanthine	8-hydroxyoctanoate	9,10-DiHOME	9-hydroxystearate	acesulfame	acetylcarnitine (C2)	acisoga	aconitate [cis or trans]	adenine	AMP	alanine	allantoin	alliin	alpha-CEHC sulfate	alpha-hydroxyisocaproate	alpha-hydroxyisovalerate	alpha-hydroxymetoprolol	alpha-ketoglutaramate*	alpha-ketoglutarate	alpha-tocopherol	amoxicillin	andro steroid monosulfate C19H28O6S (1)*	androstenediol (3alpha, 17alpha) monosulfate (2)	androstenediol (3alpha, 17alpha) monosulfate (3)	androstenediol (3beta,17beta) disulfate (1)	androstenediol (3beta,17beta) disulfate (2)	androstenediol (3beta,17beta) monosulfate (1)	androstenediol (3beta,17beta) monosulfate (2)	androsterone glucuronide	androsterone sulfate	arabinose	arabitol/xylitol	arabonate/xylonate	arachidate (20:0)	arachidonate (20:4n6)	arachidonoylcarnitine (C20:4)	arachidonoylcholine	arachidoylcarnitine (C20)*	argininate*	arginine	ascorbic acid 2-sulfate	ascorbic acid 3-sulfate*	asparagine	aspartate	azelate (nonanedioate; C9)	behenoyl dihydrosphingomyelin (d18:0/22:0)*	behenoyl sphingomyelin (d18:1/22:0)*	behenoylcarnitine (C22)*	benzoate	benzoylecgonine	beta-citrylglutamate	beta-cryptoxanthin	beta-hydroxyisovalerate	betaine	beta-sitosterol	betonicine	bilirubin (E,E)*	bilirubin (E,Z or Z,E)*	bilirubin	biliverdin	bradykinin	bradykinin, des-arg(9)	branched chain 14:0 dicarboxylic acid	branched-chain, straight-chain, or cyclopropyl 10:1 fatty acid (1)*	branched-chain, straight-chain, or cyclopropyl 12:1 fatty acid*	butyrylcarnitine (C4)	caffeic acid sulfate	caffeine	campesterol	caproate (6:0)	caprylate (8:0)	carbamazepine	carbamazepine 10,11-epoxide*	carbamazepine glucuronide*	carboxyethyl-GABA	carnitine	carotene diol (1)	carotene diol (2)	carotene diol (3)	catechol sulfate	cephalexin	ceramide (d16:1/24:1, d18:1/22:1)*	ceramide (d18:1/14:0, d16:1/16:0)*	ceramide (d18:1/20:0, d16:1/22:0, d20:1/18:0)*	ceramide (d18:2/24:1, d18:1/24:2)*	cerotoylcarnitine (C26)*	C-glycosyltryptophan	chenodeoxycholate	chiro-inositol	cholate	cholesterol	choline	phosphocholine	cimetidine	cinnamoylglycine	cis-4-decenoate (10:1n6)*	cis-4-decenoylcarnitine (C10:1)	citrate	citrulline	clindamycin	cortisol	cortisone	cortolone glucuronide (1)	cotinine	cotinine N-oxide	creatine	creatinine	crotonylbetaine	cys-gly, oxidized	cystathionine	cysteine	cysteine s-sulfate	cysteine sulfinic acid	cysteine-glutathione disulfide	cysteinylglycine	cysteinylglycine disulfide*	cystine	cytosine	daidzein	daidzein sulfate (2)	decadienedioic acid (C10:2-DC)	decanoylcarnitine (C10)	dehydroepiandrosterone sulfate (DHEA-S)	delta-CEHC	delta-CEHC glucuronide*	delta-tocopherol	deoxycarnitine	deoxycholate	deoxycholic acid (12 or 24)-sulfate*	deoxycholic acid glucuronide	diacylglycerol (16:1/18:2 [2], 16:0/18:3 [1])*	dihomolinoleate (20:2n6)	dihomolinolenate (20:3n3 or 3n6)	dihomo-linolenoylcarnitine (C20:3n3 or 6)*	dihomo-linolenoyl-choline	dihomo-linoleoylcarnitine (C20:2)*	dihydrocaffeate sulfate (2)	dihydroorotate	dimethyl sulfone	dimethylarginine (ADMA + SDMA)	dimethylglycine	docosadienoate (22:2n6)	docosadioate (C22-DC)	docosahexaenoate (DHA; 22:6n3)	docosahexaenoylcholine	docosapentaenoate (DPA; 22:5n3)	docosapentaenoate (n6 DPA; 22:5n6)	dodecadienoate (12:2)*	dodecanedioate (C12)	dodecenedioate (C12:1-DC)*	dopamine 3-O-sulfate	ectoine	EDTA	eicosanedioate (C20-DC)	eicosapentaenoate (EPA; 20:5n3)	eicosenedioate (C20:1-DC)*	eicosenoate (20:1n9 or 1n11)	eicosenoylcarnitine (C20:1)*	epiandrosterone sulfate	equol sulfate	ergothioneine	erucate (22:1n9)	erucoylcarnitine (C22:1)*	erythritol	erythronate*	ethyl glucuronide	ethylmalonate	etiocholanolone glucuronide	eugenol sulfate	ferulic acid 4-sulfate	DSGEGDFXAEGGGVR*	fluoxetine	fructose	fumarate	galactonate	gamma-carboxyglutamate	gamma-CEHC	gamma-CEHC glucuronide*	gamma-glutamylalanine	gamma-glutamyl-alpha-lysine	gamma-glutamylcitrulline*	gamma-glutamyl-epsilon-lysine	gamma-glutamylglutamate	gamma-glutamylglutamine	gamma-glutamylglycine	gamma-glutamylhistidine	gamma-glutamylisoleucine*	gamma-glutamylleucine	gamma-glutamylmethionine	gamma-glutamylphenylalanine	gamma-glutamylthreonine	gamma-glutamyltryptophan	gamma-glutamyltyrosine	gamma-glutamylvaline	gamma-tocopherol/beta-tocopherol	gemfibrozil	genistein sulfate*	gentisate	gluconate	glucose	glucuronate	glucuronide of C10H18O2 (7)*	glucuronide of C10H18O2 (8)*	glucuronide of C12H22O4 (1)*	glucuronide of C14H26O4 (1)*	glucuronide of C14H26O4 (2)*	glutamate	glutamine	glutamine conjugate of C6H10O2 (1)*	glutamine conjugate of C6H10O2 (2)*	glutamine conjugate of C7H12O2*	glutarate (C5-DC)	glutaroylcarnitine (C5)	glycerate	glycerol	glycerol 3-phosphate	glycerophosphoethanolamine	glycerophosphoglycerol	glycerophosphorylcholine (GPC)	glycine	glycine conjugate of C10H14O2 (1)*	glyco-alpha-muricholate	glyco-beta-muricholate	glycochenodeoxycholate	glycochenodeoxycholate 3-sulfate	glycochenodeoxycholate glucuronide (1)	glycocholate	glycocholenate sulfate*	glycodeoxycholate	glycodeoxycholate 3-sulfate	glycohyocholate	glycolithocholate	glycolithocholate sulfate*	glycosyl ceramide (d18:1/20:0, d16:1/22:0)*	glycosyl ceramide (d18:2/24:1, d18:1/24:2)*	glycosyl-N-behenoyl-sphingadienine (d18:2/22:0)*	glycosyl-N-nervonoyl-sphingosine (d18:1/24:1)*	glycosyl-N-palmitoyl-sphingosine (d18:1/16:0)	glycosyl-N-stearoyl-sphingosine (d18:1/18:0)	glycoursodeoxycholate	guaiacol sulfate	guanidinoacetate	gulonate*	heme	heptanoate (7:0)	heptenedioate (C7:1-DC)*	hexadecadienoate (16:2n6)	hexadecanedioate (C16)	hexadecenedioate (C16:1-DC)*	hexanoylcarnitine (C6)	hexanoylglutamine	hexanoylglycine (C6)	hippurate	histidine	homoarginine	homocitrulline	homostachydrine*	hydantoin-5-propionate	hydrochlorothiazide	hydroquinone sulfate	hydroxyasparagine	hydroxy-CMPF*	hydroxycotinine	hydroxy-N6,N6,N6-trimethyllysine*	hydroxypalmitoyl sphingomyelin (d18:1/16:0(OH))	hypotaurine	hypoxanthine	imidazole lactate	imidazole propionate	iminodiacetate (IDA)	indole-3-carboxylate	indoleacetate	indoleacetylglutamine	indolelactate	indolepropionate	indolin-2-one	indomethacin	inosine	isobutyrylcarnitine (C4)	isobutyrylglycine (C4)	isoleucine	isoleucylglycine	isopropylmaleate	isoursodeoxycholate	isoursodeoxycholate sulfate (1)	isovalerate (C5)	isovalerylcarnitine (C5)	isovalerylglycine	kynurenate	kynurenine	lactate	lactosyl-N-nervonoyl-sphingosine (d18:1/24:1)*	lactosyl-N-palmitoyl-sphingosine (d18:1/16:0)	lanthionine	laurate (12:0)	laurylcarnitine (C12)	leucine	leucylglycine	levulinoylcarnitine	lignoceroyl sphingomyelin (d18:1/24:0)	lignoceroylcarnitine (C24)*	linoleate (18:2n6)	linolenate (18:3n3 or 3n6)	linolenoylcarnitine (C18:3)*	linoleoyl ethanolamide	linoleoyl-arachidonoyl-glycerol (18:2/20:4) [1]*	linoleoyl-arachidonoyl-glycerol (18:2/20:4) [2]*	linoleoylcarnitine (C18:2)*	linoleoylcholine*	linoleoyl-linolenoyl-glycerol (18:2/18:3) [2]*	linoleoyl-linoleoyl-glycerol (18:2/18:2) [1]*	lithocholate sulfate (1)	lysine	malate	maleate	maltol sulfate	maltose	maltotriose	mannitol/sorbitol	mannonate*	mannose	margarate (17:0)	margaroylcarnitine (C17)*	metformin	methionine	methionine sulfone	methionine sulfoxide	methyl glucopyranoside (alpha + beta)	methyl indole-3-acetate	methyl-4-hydroxybenzoate sulfate	methylmalonate (MMA)	methylnaphthyl sulfate (2)*	methylsuccinate	metoprolol	metoprolol acid metabolite*	metronidazole	myo-inositol	myristoleate (14:1n5)	myristoleoylcarnitine (C14:1)*	myristoyl dihydrosphingomyelin (d18:0/14:0)*	myristoylcarnitine (C14)	N-(2-furoyl)glycine	N,N,N-trimethyl-5-aminovalerate	N,N,N-trimethyl-alanylproline betaine (TMAP)	N,N-dimethylalanine	N1-Methyl-2-pyridone-5-carboxamide	1-methyladenosine	N1-methylinosine	N2,N2-dimethylguanosine	N2,N5-diacetylornithine	N2-acetyl,N6,N6-dimethyllysine	N2-acetyl,N6-methyllysine	N4-acetyl-5-hydroxysulfamethoxazole*	N4-acetylsulfamethoxazole*	N6,N6,N6-trimethyllysine	N6,N6-dimethyllysine	N6-acetyllysine	N6-carbamoylthreonyladenosine	N6-methyllysine	N-acetyl-1-methylhistidine*	N-acetyl-2-aminooctanoate*	N-acetylalanine	N-acetylalliin	N-acetylarginine	N-acetylaspartate (NAA)	N-acetyl-beta-alanine	N-acetyl-cadaverine	N-acetylcarnosine	N-acetylcitrulline	N-acetylglucosamine/N-acetylgalactosamine	N-acetylglutamate	N-acetylglutamine	N-acetylglycine	N-acetylhistidine	N-acetylisoleucine	N-acetyl-isoputreanine	N-acetylleucine	N-acetylmethionine	N-acetylneuraminate	N-acetylphenylalanine	N-acetylputrescine	N-acetyl-S-allyl-L-cysteine	N-acetylserine	N-acetyltaurine	N-acetyltheanine	N-acetylthreonine	N-acetyltryptophan	N-acetyltyrosine	N-acetylvaline	N-behenoyl-sphingadienine (d18:2/22:0)*	N-carbamoylvaline	N-delta-acetylornithine	N-desalkylquetiapine*	nervonoylcarnitine (C24:1)*	N-formylanthranilic acid	N-formylmethionine	N-formylphenylalanine	nicotinamide	N-methylhydroxyproline	N-methylproline	N-oleoylserine	N-oleoyltaurine	nonadecanoate (19:0)	nonanoylcarnitine (C9)	norcotinine	norfluoxetine	N-palmitoylglycine	N-palmitoylserine	N-palmitoyl-sphingadienine (d18:2/16:0)*	N-palmitoyl-sphinganine (d18:0/16:0)	N-palmitoyl-sphingosine (d18:1/16:0)	N-stearoyl-sphingosine (d18:1/18:0)*	o-cresol sulfate	octadecadienedioate (C18:2-DC)*	octadecanedioylcarnitine (C18-DC)*	octadecenedioate (C18:1-DC)*	octadecenedioylcarnitine (C18:1-DC)*	octanoylcarnitine (C8)	ofloxacin	oleate/vaccenate (18:1)	oleoyl-arachidonoyl-glycerol (18:1/20:4) [1]*	oleoyl-arachidonoyl-glycerol (18:1/20:4) [2]*	oleoylcarnitine (C18)	oleoylcholine	oleoyl-linoleoyl-glycerol (18:1/18:2) [1]	oleoyl-linoleoyl-glycerol (18:1/18:2) [2]	ornithine	orotate	orotidine	O-sulfo-L-tyrosine	oxalate (ethanedioate)	palmitoleate (16:1n7)	palmitoleoyl-arachidonoyl-glycerol (16:1/20:4) [2]*	palmitoleoylcarnitine (C16:1)*	palmitoleoyl-linoleoyl-glycerol (16:1/18:2) [1]*	palmitoyl dihydrosphingomyelin (d18:0/16:0)*	palmitoyl sphingomyelin (d18:1/16:0)	palmitoylcarnitine (C16)	palmitoylcholine	palmitoyl-docosahexaenoyl-glycerol (16:0/22:6) [1]*	palmitoyl-linoleoyl-glycerol (16:0/18:2) [1]*	palmitoyl-linoleoyl-glycerol (16:0/18:2) [2]*	palmitoyl-sphingosine-phosphoethanolamine (d18:1/16:0)	pantothenate (Vitamin B5)	paraxanthine	p-cresol glucuronide*	p-cresol sulfate	pentadecanoate (15:0)	pentose acid*	perfluorooctanesulfonate (PFOS)	perfluorooctanoate (PFOA)	phenol glucuronide	phenol sulfate	phenolphthalein beta-D-glucuronide	phenylacetate	phenylacetylcarnitine	phenylacetylglutamine	phenylalanine	phenyllactate (PLA)	phenylpyruvate	phosphate	phosphoethanolamine (PE)	picolinoylglycine	pimelate (C7-DC)	pipecolate	piperine	pregnanediol-3-glucuronide	pregnanolone/allopregnanolone sulfate	pregnen-diol disulfate*	pregnenediol sulfate (C21H34O5S)*	pregnenetriol disulfate*	pregnenetriol sulfate*	pregnenolone sulfate	prolylhydroxyproline	proline	prolylglycine	propionylcarnitine (C3)	propionylglycine (C3)	propyl 4-hydroxybenzoate sulfate	pseudouridine	pyridoxate	pyroglutamine*	pyrraline	pyruvate	quetiapine	quinate	ranitidine	ranitidine N-oxide*	retinol (Vitamin A)	ribitol	ribonate (ribonolactone)	ribulonate/xylulonate/lyxonate*	S-1-pyrroline-5-carboxylate	saccharin	S-adenosylhomocysteine (SAH)	salicylate	salicyluric glucuronide*	S-allylcysteine	sarcosine	sebacate (C10-DC)	serine	serotonin	S-methylcysteine	S-methylcysteine sulfoxide	S-methylmethionine	spermidine	spermine	sphinganine	sphinganine-1-phosphate	sphingomyelin (d17:1/14:0, d16:1/15:0)*	sphingomyelin (d17:1/16:0, d18:1/15:0, d16:1/17:0)*	sphingomyelin (d17:2/16:0, d18:2/15:0)*	sphingomyelin (d18:0/18:0, d19:0/17:0)*	sphingomyelin (d18:0/20:0, d16:0/22:0)*	sphingomyelin (d18:1/14:0, d16:1/16:0)*	sphingomyelin (d18:1/17:0, d17:1/18:0, d19:1/16:0)	sphingomyelin (d18:1/18:1, d18:2/18:0)	sphingomyelin (d18:1/19:0, d19:1/18:0)*	sphingomyelin (d18:1/20:0, d16:1/22:0)*	sphingomyelin (d18:1/20:1, d18:2/20:0)*	sphingomyelin (d18:1/20:2, d18:2/20:1, d16:1/22:2)*	sphingomyelin (d18:1/21:0, d17:1/22:0, d16:1/23:0)*	sphingomyelin (d18:1/22:1, d18:2/22:0, d16:1/24:1)*	sphingomyelin (d18:1/22:2, d18:2/22:1, d16:1/24:2)*	sphingomyelin (d18:1/24:1, d18:2/24:0)*	sphingomyelin (d18:1/25:0, d19:0/24:1, d20:1/23:0, d19:1/24:0)*	sphingomyelin (d18:2/14:0, d18:1/14:1)*	sphingomyelin (d18:2/16:0, d18:1/16:1)*	sphingomyelin (d18:2/18:1)*	sphingomyelin (d18:2/21:0, d16:2/23:0)*	sphingomyelin (d18:2/23:0, d18:1/23:1, d17:1/24:1)*	sphingomyelin (d18:2/23:1)*	sphingomyelin (d18:2/24:1, d18:1/24:2)*	sphingomyelin (d18:2/24:2)*	sphingosine	sphingosine 1-phosphate	stachydrine	stearidonate (18:4n3)	stearoyl sphingomyelin (d18:1/18:0)	stearoylcarnitine (C18)	stearoylcholine*	suberate (C8-DC)	succinate	succinimide	succinylcarnitine (C4)	sucrose	sulfamethoxazole	sulfate of piperine metabolite C16H19NO3 (2)*	sulfate of piperine metabolite C16H19NO3 (3)*	sulfate*	tartarate	tartronate (hydroxymalonate)	taurine	taurochenodeoxycholate	taurochenodeoxycholic acid 3-sulfate	taurocholate	taurocholenate sulfate*	taurodeoxycholate	taurodeoxycholic acid 3-sulfate	taurolithocholate 3-sulfate	tauroursodeoxycholate	tetradecadienedioate (C14:2-DC)*	tetradecadienoate (14:2)*	tetradecanedioate (C14)	theanine	theobromine	theophylline	thioproline	threonate	threonine	thymol sulfate	thyroxine	tiglyl carnitine (C5)	hydroxyproline	trans-urocanate	tricosanoyl sphingomyelin (d18:1/23:0)*	tridecenedioate (C13:1-DC)*	trigonelline (N'-methylnicotinate)	trimethylamine N-oxide	tryptophan	tryptophan betaine	tyramine O-sulfate	tyrosine	umbelliferone sulfate	uracil	urate	urea	uridine	ursodeoxycholate	ursodeoxycholate sulfate (1)	valerate (5:0)	valine	vanillactate	vanillic alcohol sulfate	vanillylmandelate (VMA)	xanthine	xanthurenate	ximenoylcarnitine (C26:1)*	xylose	X - 07765	X - 10458	X - 11261	X - 11299	X - 11308	X - 11315	X - 11372	X - 11378	X - 11381	X - 11407	X - 11441	X - 11442	X - 11444	X - 11470	X - 11478	X - 11522	X - 11530	X - 11632	X - 11787	X - 11795	X - 11843	X - 11847	X - 11849	X - 11850	X - 11852	X - 11858	X - 11880	X - 12007	X - 12013	X - 12026	X - 12100	X - 12101	X - 12104	X - 12117	X - 12127	X - 12193	X - 12216	X - 12221	X - 12261	X - 12283	X - 12306	X - 12407	X - 12410	X - 12411	X - 12456	X - 12524	X - 12543	X - 12680	X - 12707	X - 12729	X - 12730	X - 12738	X - 12740	X - 12812	X - 12822	X - 12844	X - 12847	X - 12849	X - 12851	X - 12906	X - 13007	X - 13431	X - 13553	X - 13658	X - 13684	X - 13695	X - 13728	X - 13729	X - 13835	X - 13866	X - 14056	X - 14662 - retired for glycoursodeoxycholate sulfate (1)	X - 14904	X - 14939	X - 15245	X - 15461	X - 15469	X - 15486	X - 15492	X - 15503	X - 15728	X - 16087	X - 16124	X - 16397	X - 16570	X - 16580	X - 16649	X - 16935	X - 16938	X - 16944	X - 16946	X - 16964	X - 17010	X - 17146	X - 17185	X - 17325	X - 17335	X - 17340	X - 17346	X - 17351	X - 17357	X - 17438	X - 17612	X - 17653	X - 17655	X - 17676	X - 17685	X - 17689	X - 17690	X - 17704	X - 17765	X - 18345	X - 18886	X - 18888	X - 18901	X - 18913	X - 18921	X - 19141	X - 19438	X - 21258	X - 21286	X - 21295	X - 21310	X - 21315	X - 21319	X - 21339	X - 21342	X - 21353	X - 21364	X - 21441	X - 21448	X - 21467	X - 21470	X - 21471	X - 21607	X - 21729 - retired for butyrate (4:0)	X - 21733	X - 21736	X - 21785	X - 21796	X - 21821	X - 21829	X - 21959	X - 22162	X - 22519	X - 22771	X - 22775	X - 23276	X - 23314	X - 23587	X - 23636	X - 23639	X - 23644	X - 23648	X - 23662	X - 23680	X - 23739	X - 23780	X - 23782	X - 23997	X - 24077 - retired for 2-hydroxy-4-(methylthio)butanoic acid	X - 24241	X - 24243	X - 24295	X - 24306	X - 24307	X - 24328	X - 24337	X - 24431	X - 24432	X - 24455	X - 24456	X - 24542 - retired for vanillic acid glycine	X - 24544	X - 24546	X - 24565	X - 24588	X - 24637	X - 24686	X - 24699	X - 24736	X - 24813	X - 24849	X - 24947	X - 24949	X - 24951	X - 24952	X - 25172	X - 25212	X - 25271	X - 25343	X - 25371	X - 25417	X - 25419	X - 25422	X - 25519

Bichemical Dictionary (VAND-0201-17ML+ CLIENT DATA TABLES ADDED METABOLITES)

BIOCHEMICAL	PATHWAY SORTORDER	SUPER PATHWAY	SUB PATHWAY	COMP ID	PLATFORM	CHEMICAL ID	RI	MASS	PUBCHEM	CAS	KEGG	HMDB

Sample List(SWMHS_Plasma_Results for Metabolome_VAND-02-11VW+ CDT 25May2011 Final)

Seq	Sample_ID	Set_ID	Group	Volume_µl	Box_No	Row/Column	Assay_Batch