BIOCHEMICAL	PLATFORM
(15:2)-anacardic acid	LC/MS Neg
(R)-salsolinol	LC/MS Pos Early
1,11-undecanedicarboxylate	LC/MS Neg
1,2-dilinolenoyl-digalactosylglycerol (18:3/18:3)	LC/MS Pos Late
1,2-dilinolenoyl-galactosylglycerol (18:3/18:3)*	LC/MS Pos Late
1,2-dilinoleoyl-digalactosylglycerol (18:2/18:2)*	LC/MS Pos Late
1,2-dilinoleoyl-galactosylglycerol (18:2/18:2)*	LC/MS Pos Late
1,2-dilinoleoyl-GPC (18:2/18:2)	LC/MS Pos Late
1,2-dipalmitoyl-GPC (16:0/16:0)	LC/MS Pos Late
1,2-dipalmitoyl-GPG (16:0/16:0)	LC/MS Polar
1,3,7-trimethylurate	LC/MS Neg
1,3-dimethylurate	LC/MS Neg
1,3-propanediol	LC/MS Pos Early
1,7-dimethylurate	LC/MS Neg
1-(1-enyl-oleoyl)-GPE (P-18:1)*	LC/MS Polar
1-(1-enyl-palmitoyl)-GPE (P-16:0)*	LC/MS Pos Late
1-(1-enyl-stearoyl)-GPE (P-18:0)*	LC/MS Polar
1-(3-aminopropyl)-2-pyrrolidone	LC/MS Pos Early
1-lignoceroyl-GPC (24:0)	LC/MS Pos Late
1-linolenoylglycerol (18:3)	LC/MS Neg
1-linoleoyl-2-linolenoyl-digalactosylglycerol (18;2/18:3)*	LC/MS Pos Late
1-linoleoyl-2-linolenoyl-galactosylglycerol (18:2/18:3)*	LC/MS Pos Late
1-linoleoyl-2-linolenoyl-GPC (18:2/18:3)*	LC/MS Pos Late
1-linoleoyl-GPA (18:2)*	LC/MS Polar
1-linoleoyl-GPC (18:2)	LC/MS Pos Late
1-linoleoyl-GPE (18:2)*	LC/MS Pos Late
1-linoleoyl-GPI* (18:2)*	LC/MS Neg
1-linoleoylglycerol (18:2)	LC/MS Neg
1-margaroylglycerol (17:0)	LC/MS Neg
1-methyl-beta-carboline-3-carboxylic acid	LC/MS Pos Early
1-methyladenine	LC/MS Pos Early
1-methylguanidine	LC/MS Pos Early
1-methylhistamine	LC/MS Pos Early
1-methylhistidine	LC/MS Pos Early
1-methylimidazoleacetate	LC/MS Pos Early
1-methylnicotinamide	LC/MS Pos Early
1-methylurate	LC/MS Polar
1-methylxanthine	LC/MS Neg
1-myristoylglycerol (14:0)	LC/MS Neg
1-oleoyl-2-linoleoyl-glycerol (18:1/18:2)	LC/MS Pos Late
1-oleoyl-2-linoleoyl-GPC (18:1/18:2)*	LC/MS Pos Late
1-oleoyl-3-linoleoyl-glycerol (18:1/18:2)	LC/MS Pos Late
1-oleoyl-GPC (18:1)	LC/MS Pos Late
1-oleoyl-GPE (18:1)	LC/MS Pos Late
1-oleoyl-GPG (18:1)*	LC/MS Polar
1-oleoyl-GPI (18:1)*	LC/MS Neg
1-oleoylglycerol (18:1)	LC/MS Neg
1-palmitoyl-2-arachidonoyl-GPC (16:0/20:4)	LC/MS Pos Late
1-palmitoyl-2-linolenoyl-digalactosylglycerol (16:0/18:3)	LC/MS Pos Late
1-palmitoyl-2-linoleoyl-digalactosylglycerol (16:0/18:2)*	LC/MS Pos Late
1-palmitoyl-2-linoleoyl-galactosylglycerol (16:0/18:2)*	LC/MS Pos Late
1-palmitoyl-2-linoleoyl-glycerol (16:0/18:2)*	LC/MS Pos Late
1-palmitoyl-2-linoleoyl-GPC (16:0/18:2)	LC/MS Pos Late
1-palmitoyl-2-linoleoyl-GPE (16:0/18:2)	LC/MS Pos Late
1-palmitoyl-2-linoleoyl-GPI (16:0/18:2)	LC/MS Polar
1-palmitoyl-2-oleoyl-GPC (16:0/18:1)	LC/MS Pos Late
1-palmitoyl-2-oleoyl-GPE (16:0/18:1)	LC/MS Pos Late
1-palmitoyl-2-oleoyl-GPI (16:0/18:1)*	LC/MS Polar
1-palmitoyl-3-linoleoyl-glycerol (16:0/18:2)*	LC/MS Pos Late
1-palmitoyl-GPA (16:0)	LC/MS Neg
1-palmitoyl-GPC (16:0)	LC/MS Pos Late
1-palmitoyl-GPE (16:0)	LC/MS Pos Late
1-palmitoyl-GPG (16:0)*	LC/MS Polar
1-palmitoyl-GPI* (16:0)*	LC/MS Neg
1-palmitoyl-GPS (16:0)*	LC/MS Neg
1-palmitoylglycerol (16:0)	LC/MS Neg
1-pentadecanoylglycerol (15:0)	LC/MS Neg
1-stearoyl-GPC (18:0)	LC/MS Pos Late
1-stearoyl-GPE (18:0)	LC/MS Pos Late
1-stearoyl-GPG (18:0)	LC/MS Neg
1-stearoyl-GPI (18:0)	LC/MS Neg
1-stearoyl-GPS (18:0)*	LC/MS Neg
10-heptadecenoate (17:1n7)	LC/MS Neg
10-hydroxystearate	LC/MS Neg
10-nonadecenoate (19:1n9)	LC/MS Neg
11-ketoetiocholanolone sulfate	LC/MS Neg
12,13-DiHOME	LC/MS Neg
12-dehydrocholate	LC/MS Neg
12-hydroxystearate	LC/MS Neg
13-HODE + 9-HODE	LC/MS Neg
13-HOTrE	LC/MS Pos Late
13-methylmyristate	LC/MS Neg
methylpalmitate (15 or 2)	LC/MS Neg
16a-hydroxy DHEA 3-sulfate	LC/MS Neg
17-methylstearate	LC/MS Neg
1H-quinolin-2-one	LC/MS Pos Early
2'-deoxyadenosine	LC/MS Pos Early
2'-deoxycytidine	LC/MS Pos Early
dCMP	LC/MS Pos Early
2'-deoxyguanosine	LC/MS Pos Early
2'-deoxyinosine	LC/MS Pos Early
2'-deoxyuridine	LC/MS Polar
2,3-dihydroxyisovalerate	LC/MS Polar
2,3-dimethylsuccinate	LC/MS Polar
2,4,6-trihydroxybenzoate	LC/MS Neg
2,4-dihydroxyhydrocinnamate	LC/MS Neg
2,8-quinolinediol 	LC/MS Neg
2-(4-hydroxyphenyl)propionate	LC/MS Neg
2-acetamidobutanoate	LC/MS Polar
2-aminoadipate	LC/MS Pos Early
2-aminobutyrate	LC/MS Pos Early
2-aminoheptanoate	LC/MS Pos Early
2-aminophenol	LC/MS Pos Early
2-deoxyribose	LC/MS Pos Early
2-hydroxy-3-methylvalerate	LC/MS Neg
2-hydroxybutyrate/2-hydroxyisobutyrate	LC/MS Polar
2-hydroxydecanoate	LC/MS Neg
2-hydroxyglutarate	LC/MS Pos Early
2-hydroxymyristate	LC/MS Neg
2-hydroxypalmitate	LC/MS Neg
2-hydroxystearate	LC/MS Neg
2-isopropylmalate	LC/MS Polar
2-keto-3-deoxy-gluconate	LC/MS Polar
2-linoleoylglycerol (18:2)	LC/MS Neg
2-methylcitrate/homocitrate	LC/MS Neg
2-methylmalonyl carnitine	LC/MS Pos Early
2-methylserine	LC/MS Pos Early
2-oleoylglycerol (18:1)	LC/MS Neg
2-oxindole-3-acetate	LC/MS Pos Early
2-oxo-1-pyrrolidinepropionate	LC/MS Pos Early
2-piperidinone	LC/MS Pos Early
2-pyrrolidinone	LC/MS Pos Early
3,4-dihydroxybenzoate	LC/MS Neg
3,5-dihydroxybenzoic acid	LC/MS Neg
3,7-dimethylurate	LC/MS Neg
3-(2-hydroxyphenyl)propionate	LC/MS Neg
3-(3-hydroxyphenyl)propionate	LC/MS Neg
3-(3-hydroxyphenyl)propionate sulfate	LC/MS Neg
3-(4-hydroxyphenyl)lactate (HPLA)	LC/MS Neg
3-(4-hydroxyphenyl)propionate	LC/MS Neg
3-(N-acetyl-L-cystein-S-yl) acetaminophen	LC/MS Pos Early
3-aminoisobutyrate	LC/MS Pos Early
3-carboxy-4-methyl-5-propyl-2-furanpropanoate (CMPF)	LC/MS Neg
3-carboxyadipate	LC/MS Neg
3-dehydrocholate	LC/MS Neg
3-hydroxy-3-methylglutarate	LC/MS Polar
3-hydroxybenzoate	LC/MS Polar
3-hydroxybutyrate (BHBA)	LC/MS Polar
3-hydroxyhexanoate	LC/MS Neg
3-hydroxylaurate	LC/MS Neg
3-hydroxymyristate	LC/MS Neg
3-hydroxyoctanoate	LC/MS Neg
3-hydroxypalmitate	LC/MS Neg
3-hydroxyphenylacetate	LC/MS Polar
3-hydroxypropanoate	LC/MS Polar
3-hydroxypyridine	LC/MS Pos Early
3-hydroxyquinine	LC/MS Pos Early
3-hydroxysebacate	LC/MS Polar
3-hydroxystearate	LC/MS Neg
3-ketosphinganine	LC/MS Pos Late
3-methyl-2-oxobutyrate	LC/MS Neg
3-methyl-2-oxovalerate	LC/MS Neg
3-methyladipate	LC/MS Polar
3-methylglutaconate	LC/MS Polar
3-methylglutarate/2-methylglutarate	LC/MS Polar
3-methylhistidine	LC/MS Pos Early
3-methylurate*	LC/MS Neg
3-methylxanthine	LC/MS Pos Early
3-phenylpropionate (hydrocinnamate)	LC/MS Neg
3-sulfo-L-alanine	LC/MS Pos Early
3-ureidopropionate	LC/MS Pos Early
3b-hydroxy-5-cholenoic acid	LC/MS Neg
4-acetamidobutanoate	LC/MS Pos Early
4-acetamidophenol	LC/MS Neg
4-androsten-3alpha,17alpha-diol monosulfate (2)	LC/MS Neg
4-androsten-3beta,17beta-diol disulfate (1)	LC/MS Neg
4-androsten-3beta,17beta-diol disulfate (2)	LC/MS Neg
4-androsten-3beta,17beta-diol monosulfate (1)	LC/MS Neg
4-androsten-3beta,17beta-diol monosulfate (2)	LC/MS Neg
4-cholesten-3-one	LC/MS Pos Late
4-guanidinobutanoate	LC/MS Pos Early
4-hydroxybenzoate	LC/MS Polar
4-hydroxycinnamate	LC/MS Neg
4-hydroxycyclohexylcarboxylic acid	LC/MS Neg
4-hydroxyglutamate	LC/MS Pos Early
4-hydroxyphenylacetate	LC/MS Neg
4-hydroxyphenylpyruvate	LC/MS Neg
4-imidazoleacetate	LC/MS Pos Early
4-methyl-2-oxopentanoate	LC/MS Neg
4-methylcatechol sulfate	LC/MS Neg
4-methylthio-2-oxobutanoate	LC/MS Neg
4-ureidobutyrate	LC/MS Pos Early
5,6-dihydrothymine	LC/MS Pos Early
5-(2-Hydroxyethyl)-4-methylthiazole	LC/MS Pos Early
5-acetylamino-6-amino-3-methyluracil	LC/MS Polar
5-acetylamino-6-formylamino-3-methyluracil	LC/MS Polar
5-aminovalerate	LC/MS Pos Early
5-dodecenoate (12:1n7)	LC/MS Neg
5-hydroxy-2-indolecarboxylic acid	LC/MS Neg
5-hydroxyhexanoate	LC/MS Polar
5-hydroxyindoleacetate	LC/MS Pos Early
5-hydroxylysine	LC/MS Pos Early
5-methylthioadenosine (MTA)	LC/MS Pos Early
5-methyluridine (ribothymidine)	LC/MS Neg
5-oxoproline	LC/MS Neg
5alpha-androstan-3alpha,17alpha-diol disulfate	LC/MS Neg
5alpha-androstan-3alpha,17beta-diol disulfate	LC/MS Neg
5alpha-androstan-3beta,17alpha-diol disulfate	LC/MS Neg
5alpha-androstan-3beta,17alpha-diol monosulfate (1)	LC/MS Neg
5alpha-androstan-3beta,17beta-diol disulfate	LC/MS Neg
5alpha-androstan-3beta,17beta-diol monosulfate (1)	LC/MS Neg
5alpha-pregnan-3beta,20alpha-diol disulfate	LC/MS Neg
5alpha-pregnan-3beta,20alpha-diol monosulfate (1)	LC/MS Neg
5alpha-pregnan-3beta,20beta-diol monosulfate (1)	LC/MS Neg
6-hydroxynicotinate	LC/MS Pos Early
6-oxolithocholate	LC/MS Neg
6-oxopiperidine-2-carboxylic acid	LC/MS Polar
7,12-diketolithocholate	LC/MS Neg
7-ketodeoxycholate	LC/MS Neg
7-ketolithocholate	LC/MS Neg
7-methylguanine	LC/MS Pos Early
7-methylurate	LC/MS Polar
7-methylxanthine	LC/MS Pos Early
8-hydroxyguanine 	LC/MS Pos Early
9,10-DiHOME	LC/MS Neg
acesulfame	LC/MS Polar
acetylcarnitine (C2)	LC/MS Pos Early
acisoga	LC/MS Pos Early
adenine	LC/MS Pos Early
adenosine	LC/MS Pos Early
3'-AMP	LC/MS Pos Early
AMP	LC/MS Pos Early
adipate	LC/MS Polar
adrenate (22:4n6)	LC/MS Neg
agmatine	LC/MS Pos Early
alanine	LC/MS Pos Early
alanyl-glutamyl-meso-diaminopimelate	LC/MS Neg
alanylleucine	LC/MS Pos Early
allantoin	LC/MS Pos Early
allo-threonine	LC/MS Polar
alpha-hydroxyisocaproate	LC/MS Neg
alpha-hydroxyisovalerate	LC/MS Polar
alpha-ketoglutarate	LC/MS Polar
alpha-tocopherol	LC/MS Pos Late
alpha-tocopherol acetate	LC/MS Pos Late
alpha-tocotrienol	LC/MS Pos Late
androsterone sulfate	LC/MS Neg
anserine	LC/MS Pos Early
anthranilate	LC/MS Pos Early
apigenin	LC/MS Neg
arabinose	LC/MS Polar
arabitol/xylitol	LC/MS Polar
arabonate/xylonate	LC/MS Polar
arachidate (20:0)	LC/MS Neg
arachidonate (20:4n6)	LC/MS Neg
arginine	LC/MS Pos Early
argininosuccinate	LC/MS Pos Early
asparagine	LC/MS Pos Early
aspartate	LC/MS Pos Early
astaxanthin	LC/MS Pos Late
azelate (nonanedioate; C9)	LC/MS Polar
benzoate	LC/MS Neg
beta-alanine	LC/MS Pos Early
beta-carotene	LC/MS Pos Late
beta-guanidinopropanoate	LC/MS Pos Early
beta-hydroxyisovalerate	LC/MS Polar
beta-sitosterol	LC/MS Pos Late
betaine	LC/MS Pos Early
bilirubin	LC/MS Pos Late
biliverdin	LC/MS Neg
biocytin	LC/MS Pos Early
biotin	LC/MS Pos Early
bufotenine	LC/MS Pos Early
butyrylglycine (C4)	LC/MS Neg
cadaverine	LC/MS Pos Early
caffeate	LC/MS Neg
caffeine	LC/MS Pos Early
campesterol	LC/MS Pos Late
caprate (10:0)	LC/MS Neg
caproate (6:0)	LC/MS Neg
caprylate (8:0)	LC/MS Neg
carboxyethyl-GABA	LC/MS Pos Early
carboxyibuprofen	LC/MS Neg
carnitine	LC/MS Pos Early
carnosine	LC/MS Pos Early
chenodeoxycholate	LC/MS Neg
cholate	LC/MS Neg
cholesterol	LC/MS Pos Late
choline	LC/MS Pos Early
phosphocholine	LC/MS Pos Early
ciliatine (2-aminoethylphosphonate)	LC/MS Pos Early
cinnamate	LC/MS Neg
cis-4-hydroxycyclohexylacetic acid	LC/MS Neg
cis-urocanate	LC/MS Pos Early
citrate	LC/MS Neg
citrulline	LC/MS Pos Early
coprostanol	LC/MS Pos Late
cortolone	LC/MS Neg
creatine	LC/MS Pos Early
creatinine	LC/MS Pos Early
cystathionine	LC/MS Pos Early
cysteine	LC/MS Pos Early
cysteine s-sulfate	LC/MS Pos Early
cysteine sulfinic acid	LC/MS Pos Early
cysteinylglycine	LC/MS Pos Early
cystine	LC/MS Pos Early
cytidine	LC/MS Pos Early
cytidine 2',3'-cyclic monophosphate	LC/MS Pos Early
3'-CMP	LC/MS Pos Early
CMP	LC/MS Pos Early
cytosine	LC/MS Pos Early
D-urobilin	LC/MS Pos Late
daidzein	LC/MS Neg
dehydroisoandrosterone sulfate (DHEA-S)	LC/MS Neg
dehydrolithocholate	LC/MS Neg
delta-tocopherol	LC/MS Pos Late
deoxycarnitine	LC/MS Pos Early
deoxycholate	LC/MS Neg
deoxycholic acid sulfate	LC/MS Neg
diaminopimelate	LC/MS Pos Early
diethanolamine	LC/MS Pos Early
digalacturonic acid	LC/MS Neg
diglycerol	LC/MS Pos Early
dihomolinoleate (20:2n6)	LC/MS Neg
dihomolinolenate (20:3n3 or 3n6)	LC/MS Neg
dihydoxyphenylalanine (L-DOPA)	LC/MS Pos Early
dihydrocaffeate	LC/MS Neg
dihydroferulic acid	LC/MS Neg
dihydroorotate	LC/MS Polar
dimethylarginine (ADMA + SDMA)	LC/MS Pos Early
dimethylglycine	LC/MS Pos Early
dimethylmalonic acid	LC/MS Polar
diosmetin	LC/MS Neg
dipicolinate	LC/MS Pos Early
docosadienoate (22:2n6)	LC/MS Neg
docosahexaenoate (DHA; 22:6n3)	LC/MS Neg
docosapentaenoate (DPA; 22:5n3)	LC/MS Neg
docosapentaenoate (n6 DPA; 22:5n6)	LC/MS Neg
dodecanedioate (C12)	LC/MS Neg
ectoine	LC/MS Pos Early
eicosapentaenoate (EPA; 20:5n3)	LC/MS Neg
eicosenoate (20:1n9 or 1n11)	LC/MS Neg
enterodiol	LC/MS Neg
enterolactone	LC/MS Neg
epiandrosterone sulfate	LC/MS Neg
epicatechin	LC/MS Neg
ergosterol	LC/MS Pos Late
eriodictyol	LC/MS Neg
erucate (22:1n9)	LC/MS Neg
erythronate*	LC/MS Polar
erythrose	LC/MS Neg
ethylmalonate	LC/MS Polar
ferulate	LC/MS Neg
feruloylputrescine	LC/MS Pos Early
FAD	LC/MS Neg
FMN	LC/MS Neg
formiminoglutamate	LC/MS Neg
fructose	LC/MS Polar
fucitol	LC/MS Neg
fucose	LC/MS Pos Early
fumarate	LC/MS Polar
galactitol (dulcitol)	LC/MS Polar
galactonate	LC/MS Polar
galacturonate	LC/MS Neg
gamma-aminobutyrate (GABA)	LC/MS Pos Early
gamma-CEHC	LC/MS Neg
gamma-glutamyl-epsilon-lysine	LC/MS Pos Early
gamma-glutamylalanine	LC/MS Pos Early
gamma-glutamylglutamate	LC/MS Pos Early
gamma-glutamylglycine	LC/MS Pos Early
gamma-glutamylhistidine	LC/MS Pos Early
gamma-glutamylisoleucine*	LC/MS Neg
gamma-glutamylleucine	LC/MS Neg
gamma-glutamylmethionine	LC/MS Pos Early
gamma-glutamylphenylalanine	LC/MS Neg
gamma-glutamyltyrosine	LC/MS Neg
gamma-glutamylvaline	LC/MS Pos Early
gamma-tocopherol/beta-tocopherol	LC/MS Pos Late
gamma-tocotrienol	LC/MS Pos Late
genistein	LC/MS Neg
gentisate	LC/MS Neg
gluconate	LC/MS Polar
glucose	LC/MS Polar
glucuronate	LC/MS Polar
glutamate	LC/MS Pos Early
glutamate, gamma-methyl ester	LC/MS Pos Early
glutamine	LC/MS Pos Early
glutaminylleucine	LC/MS Pos Early
glutamyl-meso-diaminopimelate	LC/MS Pos Early
glutarate (pentanedioate)	LC/MS Polar
glycerate	LC/MS Polar
glycerol	LC/MS Pos Early
glycerol 3-phosphate	LC/MS Pos Early
glycerophosphoethanolamine	LC/MS Pos Early
glycerophosphoglycerol	LC/MS Polar
glycerophosphoinositol*	LC/MS Pos Early
glycerophosphorylcholine (GPC)	LC/MS Pos Early
glycine	LC/MS Pos Early
glycochenodeoxycholate	LC/MS Neg
glycocholate	LC/MS Neg
glycocholenate sulfate*	LC/MS Neg
glycodeoxycholate	LC/MS Neg
glycodeoxycholate sulfate	LC/MS Neg
glycohyodeoxycholate	LC/MS Neg
glycolithocholate	LC/MS Neg
glycolithocholate sulfate*	LC/MS Neg
glycosyl-N-palmitoyl-sphingosine	LC/MS Pos Late
glycosyl-N-stearoyl-sphingosine	LC/MS Pos Late
glycoursodeoxycholate	LC/MS Neg
glycylisoleucine	LC/MS Pos Early
glycylleucine	LC/MS Pos Early
glycylvaline	LC/MS Pos Early
glycyrrhetinate	LC/MS Neg
guanidinoacetate	LC/MS Pos Early
guanidinosuccinate	LC/MS Pos Early
guanine	LC/MS Pos Early
guanosine	LC/MS Pos Early
guanosine-2',3'-cyclic monophosphate	LC/MS Pos Early
harmane	LC/MS Pos Early
heptanoate (7:0)	LC/MS Neg
hesperetin	LC/MS Neg
hesperidin	LC/MS Neg
hexadecanedioate (C16)	LC/MS Neg
hexanoylglycine (C6)	LC/MS Neg
histamine	LC/MS Pos Early
histidine	LC/MS Pos Early
histidylalanine	LC/MS Pos Early
homocitrulline	LC/MS Pos Early
hydantoin-5-propionic acid	LC/MS Polar
hyocholate	LC/MS Neg
hypoxanthine	LC/MS Polar
I-urobilinogen	LC/MS Neg
imidazole lactate	LC/MS Pos Early
imidazole propionate	LC/MS Pos Early
indole	LC/MS Neg
indole-3-carboxylic acid	LC/MS Neg
indoleacetate	LC/MS Neg
indolelactate	LC/MS Neg
indolepropionate	LC/MS Neg
indolin-2-one	LC/MS Pos Early
inosine	LC/MS Polar
isobutyrylglycine (C4)	LC/MS Neg
isocaproate	LC/MS Neg
isocitrate	LC/MS Polar
isoleucine	LC/MS Pos Early
isoleucylglycine	LC/MS Neg
isomaltose	LC/MS Polar
isovalerate (C5)	LC/MS Neg
isovalerylglycine	LC/MS Neg
kynurenate	LC/MS Pos Early
L-urobilin	LC/MS Neg
lactate	LC/MS Polar
lactosyl-N-palmitoyl-sphingosine	LC/MS Pos Late
lanosterol	LC/MS Pos Late
laurate (12:0)	LC/MS Neg
leucine	LC/MS Pos Early
leucylalanine	LC/MS Pos Early
leucylglutamine*	LC/MS Pos Early
leucylglycine	LC/MS Neg
levulinate (4-oxovalerate)	LC/MS Pos Early
linoleamide (18:2n6)	LC/MS Pos Late
linoleate (18:2n6)	LC/MS Neg
linolenate (18:3n3 or 3n6)	LC/MS Neg
linoleoyl ethanolamide	LC/MS Neg
linoleoylcarnitine*	LC/MS Pos Late
lithocholate	LC/MS Neg
luteolinidin	LC/MS Pos Early
lysine	LC/MS Pos Early
lysylleucine	LC/MS Neg
malate	LC/MS Neg
maleamate	LC/MS Polar
maleate	LC/MS Polar
malonate	LC/MS Neg
maltose	LC/MS Polar
maltotriose	LC/MS Polar
mannitol/sorbitol	LC/MS Polar
mannose	LC/MS Polar
margarate (17:0)	LC/MS Neg
methionine	LC/MS Pos Early
methionine sulfone	LC/MS Pos Early
methionine sulfoxide	LC/MS Pos Early
methyl glucopyranoside (alpha + beta)	LC/MS Neg
methyl indole-3-acetate	LC/MS Pos Early
methylmalonate (MMA)	LC/MS Polar
methylphosphate	LC/MS Pos Early
methylsuccinate	LC/MS Polar
mevalonate	LC/MS Polar
mevalonolactone	LC/MS Pos Early
myo-inositol	LC/MS Polar
myristate (14:0)	LC/MS Neg
myristoleate (14:1n5)	LC/MS Neg
N-acetyl-1-methylhistidine*	LC/MS Pos Early
N-acetyl-3-methylhistidine*	LC/MS Pos Early
N-acetyl-aspartyl-glutamate (NAAG)	LC/MS Neg
N-acetyl-beta-alanine	LC/MS Polar
N-acetyl-beta-glucosaminylamine	LC/MS Neg
N-acetyl-cadaverine	LC/MS Pos Early
N-acetylalanine	LC/MS Polar
N-acetylarginine	LC/MS Pos Early
N-acetylasparagine	LC/MS Pos Early
N-acetylaspartate (NAA)	LC/MS Neg
N-acetylcitrulline	LC/MS Neg
N-acetylcysteine	LC/MS Pos Early
N-acetylglucosamine/N-acetylgalactosamine	LC/MS Pos Early
N-acetylglucosaminylasparagine 	LC/MS Pos Early
N-acetylglutamate	LC/MS Neg
N-acetylglutamine	LC/MS Polar
N-acetylglycine	LC/MS Pos Early
N-acetylhistamine	LC/MS Pos Early
N-acetylhistidine	LC/MS Pos Early
N-acetylisoleucine	LC/MS Neg
N-acetylkynurenine (2)	LC/MS Pos Early
N-acetylleucine	LC/MS Neg
N-acetylmethionine	LC/MS Neg
N-acetylmethionine sulfoxide	LC/MS Pos Early
N-acetylmuramate	LC/MS Pos Early
N-acetylneuraminate	LC/MS Pos Early
N-acetylphenylalanine	LC/MS Pos Early
N-acetylproline	LC/MS Pos Early
N-acetylputrescine	LC/MS Pos Early
N-acetylpyrraline	LC/MS Neg
N-acetylserine	LC/MS Pos Early
N-acetylserotonin	LC/MS Pos Early
N-acetylsphingosine	LC/MS Pos Late
N-acetyltaurine	LC/MS Polar
N-acetylthreonine	LC/MS Neg
N-acetyltryptophan	LC/MS Neg
N-acetyltyrosine	LC/MS Neg
N-acetylvaline	LC/MS Neg
N-alpha-acetylornithine	LC/MS Pos Early
N-carbamoylalanine	LC/MS Pos Early
N-carbamoylaspartate	LC/MS Pos Early
N-carbamoylsarcosine	LC/MS Pos Early
N-carbamylglutamate	LC/MS Pos Early
N-delta-acetylornithine	LC/MS Pos Early
N-formylmethionine	LC/MS Neg
N-formylphenylalanine	LC/MS Neg
N-linoleoylglycine	LC/MS Neg
N-methylalanine	LC/MS Pos Early
N-methylglutamate	LC/MS Pos Early
N-methylhydantoin	LC/MS Neg
N-methylphenylalanine	LC/MS Pos Early
N-methylpipecolate	LC/MS Pos Early
N-methylproline	LC/MS Pos Early
N-methyltaurine	LC/MS Polar
N-methyltryptophan	LC/MS Pos Early
N-monomethylarginine	LC/MS Pos Early
N-palmitoyl-sphinganine (d18:0/16:0)	LC/MS Pos Late
N-palmitoyl-sphingosine (d18:1/16:0)	LC/MS Pos Late
N-palmitoylglycine	LC/MS Neg
N-propionylalanine	LC/MS Neg
N-propionylmethionine	LC/MS Neg
N1,N12-diacetylspermine	LC/MS Pos Early
1-methyladenosine	LC/MS Pos Early
N2,N5-diacetylornithine	LC/MS Pos Early
N2,N6-diacetyllysine	LC/MS Polar
N2-acetyllysine	LC/MS Neg
N6,N6,N6-trimethyllysine	LC/MS Pos Early
N6,N6-dimethyladenosine	LC/MS Pos Early
N6-acetyllysine	LC/MS Polar
N6-carbamoylthreonyladenosine	LC/MS Neg
N6-carboxyethyllysine	LC/MS Pos Early
N6-carboxymethyllysine	LC/MS Pos Early
N6-dimethylallyladenine	LC/MS Pos Early
N6-formyllysine	LC/MS Pos Early
naringenin	LC/MS Neg
nicotianamine	LC/MS Pos Early
nicotinamide	LC/MS Pos Early
nicotinamide riboside	LC/MS Pos Early
nicotinate	LC/MS Pos Early
nicotinate ribonucleoside	LC/MS Pos Early
nonadecanoate (19:0)	LC/MS Neg
O-acetylhomoserine	LC/MS Polar
O-sulfo-L-tyrosine	LC/MS Neg
o-Tyrosine	LC/MS Pos Early
octadecanedioate (C18)	LC/MS Neg
oleate/vaccenate (18:1)	LC/MS Neg
oleoyl ethanolamide	LC/MS Neg
oleoylcarnitine (C18)	LC/MS Pos Late
ornithine	LC/MS Pos Early
orotate	LC/MS Polar
p-cresol	LC/MS Neg
p-cresol sulfate	LC/MS Neg
p-hydroxybenzaldehyde	LC/MS Neg
palmitate (16:0)	LC/MS Neg
palmitoleate (16:1n7)	LC/MS Neg
palmitoleoylcarnitine*	LC/MS Pos Late
palmitoyl dihydrosphingomyelin (d18:0/16:0)*	LC/MS Pos Late
palmitoyl ethanolamide	LC/MS Pos Late
palmitoyl sphingomyelin (d18:1/16:0)	LC/MS Pos Late
palmitoylcarnitine (C16)	LC/MS Pos Late
pantothenate (Vitamin B5)	LC/MS Neg
paraxanthine	LC/MS Pos Early
pentadecanoate (15:0)	LC/MS Neg
phenethylamine	LC/MS Pos Early
phenol sulfate	LC/MS Neg
phenylacetate	LC/MS Neg
phenylacetylglutamate	LC/MS Pos Early
phenylacetylglutamine	LC/MS Neg
phenylalanine	LC/MS Pos Early
phenylalanylalanine	LC/MS Pos Early
phenylalanylglycine	LC/MS Pos Early
phenyllactate (PLA)	LC/MS Neg
phenylpropionylglycine	LC/MS Neg
phenylpyruvate	LC/MS Neg
pheophorbide A	LC/MS Pos Late
phosphate	LC/MS Pos Early
phytanate	LC/MS Neg
phytosphingosine	LC/MS Pos Late
picolinate	LC/MS Pos Early
pimelate (heptanedioate)	LC/MS Polar
pinoresinol	LC/MS Neg
pipecolate	LC/MS Pos Early
piperidine	LC/MS Pos Early
piperine	LC/MS Pos Late
ponciretin	LC/MS Neg
pregn steroid monosulfate*	LC/MS Neg
pregnen-diol disulfate*	LC/MS Neg
pregnenolone sulfate	LC/MS Neg
pristanate	LC/MS Neg
proline	LC/MS Pos Early
prolylglycine	LC/MS Pos Early
propionylglycine (C3)	LC/MS Polar
pseudouridine	LC/MS Pos Early
pterin	LC/MS Neg
putrescine	LC/MS Pos Early
pyridoxal	LC/MS Pos Early
pyridoxamine	LC/MS Pos Early
pyridoxate	LC/MS Neg
pyridoxine (Vitamin B6)	LC/MS Pos Early
pyroglutamine*	LC/MS Pos Early
pyrraline	LC/MS Neg
pyruvate	LC/MS Polar
quinate	LC/MS Polar
quinine	LC/MS Pos Early
quinolinate	LC/MS Pos Early
retinol (Vitamin A)	LC/MS Pos Late
ribitol	LC/MS Polar
riboflavin (Vitamin B2)	LC/MS Pos Early
ribonate (ribonolactone)	LC/MS Polar
ribose	LC/MS Polar
ribulose/xylulose	LC/MS Polar
S-1-pyrroline-5-carboxylate	LC/MS Pos Early
S-methylcysteine	LC/MS Pos Early
S-methylmethionine	LC/MS Pos Early
saccharin	LC/MS Neg
saccharopine	LC/MS Pos Early
salicylate	LC/MS Polar
sarcosine	LC/MS Pos Early
sebacate (decanedioate)	LC/MS Neg
secoisolariciresinol	LC/MS Neg
secoisolariciresinol diglucoside	LC/MS Neg
sedoheptulose	LC/MS Pos Early
serine	LC/MS Pos Early
serotonin	LC/MS Pos Early
sitostanol 	LC/MS Pos Late
skatol	LC/MS Neg
solanidine	LC/MS Pos Late
spermidine	LC/MS Pos Early
sphinganine	LC/MS Pos Late
sphingosine	LC/MS Pos Late
stachydrine	LC/MS Pos Early
stearate (18:0)	LC/MS Neg
stearidonate (18:4n3)	LC/MS Neg
stearoyl ethanolamide	LC/MS Pos Late
stearoylcarnitine (C18)	LC/MS Pos Late
stigmasterol	LC/MS Pos Late
suberate (octanedioate)	LC/MS Neg
succinate	LC/MS Polar
succinimide	LC/MS Polar
succinylcarnitine (C4)	LC/MS Pos Early
sucralose	LC/MS Neg
sucrose	LC/MS Polar
sulfate*	LC/MS Neg
syringic acid	LC/MS Neg
tartarate	LC/MS Neg
taurine	LC/MS Pos Early
taurochenodeoxycholate	LC/MS Neg
taurocholate	LC/MS Neg
taurocholenate sulfate	LC/MS Neg
taurodeoxycholate	LC/MS Neg
taurolithocholate 3-sulfate	LC/MS Neg
tetradecanedioate (C14)	LC/MS Neg
theanine	LC/MS Pos Early
theobromine	LC/MS Pos Early
theophylline	LC/MS Pos Early
thiamin (Vitamin B1)	LC/MS Pos Early
thioproline	LC/MS Pos Early
threonate	LC/MS Polar
threonine	LC/MS Pos Early
threonylphenylalanine	LC/MS Pos Early
thymidine	LC/MS Neg
thymine	LC/MS Neg
hydroxyproline	LC/MS Pos Early
trans-urocanate	LC/MS Pos Early
tribuloside	LC/MS Neg
tricarballylate	LC/MS Neg
trigonelline (N'-methylnicotinate)	LC/MS Pos Early
trimethylamine N-oxide	LC/MS Pos Early
tryptamine	LC/MS Pos Early
tryptophan	LC/MS Neg
tryptophan betaine 	LC/MS Pos Early
tryptophylglycine	LC/MS Neg
tyramine	LC/MS Pos Early
tyrosine	LC/MS Pos Early
tyrosol	LC/MS Neg
undecanedioate	LC/MS Neg
uracil	LC/MS Polar
urate	LC/MS Neg
uridine	LC/MS Neg
ursodeoxycholate	LC/MS Neg
ursodeoxycholate sulfate (1)	LC/MS Neg
valerate (5:0)	LC/MS Neg
valerylphenylalanine	LC/MS Neg
valine	LC/MS Pos Early
valylglutamine	LC/MS Pos Early
valylglycine	LC/MS Neg
valylleucine	LC/MS Pos Early
vanillate	LC/MS Neg
xanthine	LC/MS Neg
xanthosine	LC/MS Neg
xanthurenate	LC/MS Pos Early
xylose	LC/MS Polar