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Data Sheet

Metabolomics Discovery Panel

DHMRI’s Metabolomics Discovery Panel can facilitate your research needs in global profiling analysis, with our in-house library providing excellent coverage of metabolites involved in primary . Primary metabolic processes are critical for maintaining cellular via conversion of energy sources to key building blocks for secondary metabolites and macromolecules such as proteins, , nucleic acids etc., and the clearance of resulting waste products. Our untargeted analysis of in vivo or in vitro derived samples provides an overview of this metabolic landscape where fluctuations or patterns can provide valuable insight into complex, life-sustaining biochemical reactions associated with: • Growth • Development • Reproduction • Structural Maintenance • Environmental Responses

DHMRI’s Discovery Panel is an ideal tool to support research and development in any Analytical Method area concerned with evaluation, diagnosis, Dual-platform MS methodology utilizing both or perturbation of critical metabolic states positive and negative ion mode UPLC-QTOF- for Pharmaceutical, Biotechnology, , MS coupled with two-dimensional GC-MS. , and AgBiotech applications associated with: Observations • Diet The Metabolomics Discovery Panel allows for • the identification of up to 600 metabolites. • Disease Specific observations depend on the sample • Product efficacy and impact, including: submitted, especially those where metabolic • Therapeutics perturbation or physiological dysfunction • & Food Additives may be present. • Supplements Library The Metabolomics Discovery Panel contains 600 individual compounds listed alphabetically in the pages below. Classes of compounds covered by the platform include: • Carboxylic Acids, Amino Acids • Biogenic Amines, Polyamines • , Co- & • Mono- and Disaccharides • Fatty Acids, Lipids, Steroids & Hormones Two-dimensional GC-MS

150 Research Campus Drive, Kannapolis, NC 28081 www.dhmri.org +1 704-250-2600 [email protected] Data Sheet

Data Reporting and Visualization One of the challenges when undertaking biological pathway, but as a “signature” the interpretation of complex metabolomics indicative of a metabolic perturbation across datasets is the visualization of the data multiple pathways. for identification of biological significance. To aid in data visualization and reporting, Patterns can emerge among groups of DHMRI can provide access to the powerful metabolites not necessarily from a single MarkerLab® data evaluation software.

Bar plot Volcano plot Pathway maps

DHMRI Metabolomics Discovery Panel Compounds

• (2-Aminoethyl)Phosphonate • 2-Oxobutanoate • 3-Methylhistamine • 1,3-Diaminopropane • 2-Phosphoglycerate • 3-Nitrotyrosine • 10-Hydroxydecanoate • 2-Propenoate • 3-Phosphoglycerate • 1-Aminocyclopropanecarboxylate • 2-Quinolinecarboxylate • 3-Sulfinoalanine • 1-Hydroxy-2-Naphthoate • 2-Undecanone • 4-Acetamidobutanoate • 1-Methyladenosine • 3-(2-Hydroxyphenyl)Propanoate • 4-Aminobenzoate • 1-Methylhistidine • 3-(4-Hydroxyphenyl)Pyruvate • 4-Coumarate • 1-Methylnicotinamide • 3,4 Dihydroxymandelate • 4-Guanidinobutanoate • 1-Phenylethanol • 3,4-Dihydroxybenzoate • 4-Hydroxy-3-Methoxyphenylglycol • 2,3-Butanediol • 3,4-Dihydroxyphenylacetate • 4-Hydroxybenzaldehyde • 2,3-Diaminopropionate • 3,4-Dihydroxyphenylglycol • 4-Hydroxybenzoate • 2,3-Dihydroxybenzoate • 3,5-Diiodothyronine • 4-Hydroxyphenylglycine • 2’,4’-Dihydroxyacetophenone • 3,5-Diiodotyrosine • 4-Imidazoleacetate • 2,4-Dihydroxypteridine • 3-Amino-4-Hydroxybenzoate • 4-Methylcatechol • 2,5-Dihydroxybenzoate • 3-Amino-5-Hydroxybenzoate • 4-Pyridoxate • 2,5-Dimethylpyrazine • 3-Dehydroshikimate • 4-Quinolinecarboxylate • 2,6-Dihydroxypyridine • 3-Hydroxy-3-Methylglutaryl-CoA • 5,6 Dimethylbenzimidazole • 25-Hydroxycholesterol • 3-Hydroxyanthranilate • 5-Aminolevulinate • 2-Acetamido-2-Deoxy-Beta-D-Glucosylamine • 3-Hydroxybenzaldehyde • 5-Aminopentanoate • 2-Aminoisobutyrate • 3-Hydroxybenzoate • 5’- • 2-Aminophenol • 3-Hydroxybenzyl • 5-Hydroxyindoleacetate • 2-Deoxyglucose • 3-Hydroxybutanoate • 5-Hydroxylysine • 2-Hydroxy-4-(Methylthio)Butanoate • 3-Hydroxymethylglutarate • 5-Hydroxytryptophan • 2-Hydroxybutyrate • 3-Hydroxyphenylacetate • 5-Methylcytosine • 2-Hydroxyphenylacetate • 3-Methoxy-4-Hydroxymandelate • 5-Valerolactone • 2-Hydroxypyridine • 3-Methoxytyramine • 6-Carboxyhexanoate • 2-Methoxyethanol • 3-Methoxytyrosine • 6-Hydroxydopamine • 2-Methylbutanal • 3-Methyl-2- • 6-Hydroxynicotinate • 2-Methylglutarate • 3-Methyl-2-Oxovalerate • 6-Phosphogluconate • 2-Methylmaleate • 3-Methyladenine • 7-Dehydrocholesterol • 2-Methylpropanal • 3-Methylcrotonyl-CoA • Acetoacetate

150 Research Campus Drive, Kannapolis, NC 28081 www.dhmri.org +1 704-250-2600 [email protected] Data Sheet

• Acetoin • • Triphosphate • • Carnosine • • Acetylphosphate • CDP-Ethanolamine • • • Cellobiose • Deoxyuridine Monophosphate • • Chenodeoxycholate • Deoxyuridine Triphosphate • Adenosine 2’,3’-Cyclic • Cholate • Desmosterol • Adenosine 3’,5’-Diphosphate • Cholesteryl Oleate • Dethiobiotin • • Cholesteryl Palmitate • Diacetyl • Adenosine Diphosphate • • Diaminopimelate • • Cis-4-Hydroxy-D- • Didecanoyl-Glycerophosphocholine • • • Diethanolamine • Adenosine Triphosphate • Citramalate • Diethyl 2-Methyl-3-Oxosuccinate • Adipate • Citrate • Dihydrobiopterin • ADP- • Citrulline • Dihydrofolate • Sulfate • • Dihydroorotate • AICAR • • • • Cortexolone • Dihydroxyacetone phosphate • Allantoin • • Dihydroxyfumarate • Allose • Cortisol • Dipalmitoylglycerol • Allothreonine • Cortisol 21-Acetate • Dipalmitoyl- • Allyl • Cortisone • Dipalmitoyl-Phosphoethanolamine • Alpha-D-Glucose • • Docosahexaenoate • Alpha-Hydroxyisobutyrate • Creatinine • • Alpha-Tocopherol • Cyanocobalamin • D-Ornithine • Aminoadipate • Cyclic AMP • dTDP-Glucose • Aminoisobutanoate • Cyclic GMP • D-Tryptophan • Aniline • Cyclopentanone • Eicosapentaenoate • Aniline-2-Sulfonate • Cystathionine • Elaidate • Anserine • Cysteamine • Epinephrine • Anthranilate • Cysteate • Erucate • Arabinose • Cysteine • Erythritol • Arabitol • Cysteinylglycine • -17Alpha • Arachidate • Cystine • Ethanolamine • • • Ethanolamine Phosphate • Ascorbate • Cytidine 2’,3’-Cyclic Phosphate • Ethyl 3-Indoleacetate • • • Ethyl 3-Ureidopropionate • Aspartate • • Ethylmalonate • Azelate • Cytidine Monophosphate • Ferulate • • • Flavin Adenine Dinucleotide • Benzoate • Cytochrome C • • Benzyl Alcohol • • Formamide • Benzylamine • D-Alanine • • Beta-Alanine • D-Aspartate • Fructose 6-Phosphate • Beta-Carotene • Decanoate • Fructose Bisphosphate • Beta-Glycerophosphate • Dehydroascorbate • Fucose • Betaine • Deoxyadenosine • Fumarate • Beta-Nicotinamide Adenine Dinucleotide • Deoxyadenosine Monophosphate • Galactarate • Bilirubin • Deoxyadenosine Triphosphate • Galactitol • Biliverdin • Deoxycarnitine • Galactosamine • • Deoxycholate • Galactose • Bis(2-Ethylhexyl)phthalate • Deoxycorticosterone Acetate • Galactose 1-Phosphate • Butanoate • • Galacturonate • Cadaverine • Deoxycytidine Diphosphate • Gamma,Gamma-Dimethylallyl • Caffeate • Deoxycytidine Monophosphate • Gamma-Aminobutyrate • • Deoxyguanosine • Gamma-Linolenate • Caprylate • Deoxyguanosine Diphosphate • Geranyl Diphosphate • • Deoxyguanosine Monophosphate • Gluconate

150 Research Campus Drive, Kannapolis, NC 28081 www.dhmri.org +1 704-250-2600 [email protected] Data Sheet

• Gluconolactone • -3-Acetamide • Methyglutarate • Glucosaminate • Indole-3-Acetate • Methyl 4-Aminobutyrate • • Indole-3- • Methyl Acetoacetate • Glucosamine 6-Phosphate • Indole-3-Methyl Acetate • Methyl Galactoside • Glucosamine 6-Sulfate • Indole-3-Pyruvate • Methyl Jasmonate • Glucose 1-Phosphate • Indoleacetaldehyde • Methyl Vanillate • Glucose 6-Phosphate • Indoxyl Sulfate • Methylguanidine • Glucuronate • • Methylmalonate • Glucuronolactone • Inosine Diphosphate • Methylthioadenosine • • Inosine Monophosphate • Mevalolactone • Glutarate • • Mevalonate • Glutarylcarnitine • Isobutyrate • Monoethylmalonate • Reduced • Isocitrate • Monomethylglutarate • Glyceraldehyde • Isoleucine • Myoinositol • Glyceraldehyde 3-Phosphate • Isopentenyl Pyrophosphate • Myristate • Glycerate • Itaconate • N,N-Dimethyl-1,4-Phenylenediamine • • Ketoleucine • N,N-Dimethylarginine • Glycerol 3-Phosphate • Kynurenate • N1-Acetylspermine • Glycerol-Myristate • Kynurenine • N6-(Delta2-Isopentenyl)-Adenine • Glyceryl Trimyristate • Lactate • N-Acetylalanine • Glyceryl Tripalmitate • Lactose • N-Acetylasparagine • • Lanosterol • N-Acetylaspartate • Glycochenodeoxycholate • Laurate • N-Acetylcysteine • Glycocholate • Lauroylcarnitine • N-Acetylgalactosamine • Glycolaldehyde • L-DOPA • N-Acetylglucosamine • Glycolate • Leucine • N-Acetylglutamate • Glyoxylate • L-Gulonolactone • N-Acetylglycine • Guaiacol • Linoleate • N-Acetylleucine • Guanidinoacetate • Liothyronine • N-Acetylmannosamine • Guanidinosuccinate • Lipoamide • N-Acetylmethionine • • Lithocholate • N-Acetylneuraminate • • Lithocholyltaurine • N-Acetylphenylalanine • • L-Tryptophan • N-Acetylproline • Guanosine Diphosphate Mannose • L-Tryptophanamide • N-Acetylputrescine • • Lumichrome • N-Acetylserine • • Lysine • N-Acetylserotonin • Heptadecanoate • Lyxose • N-Acetyltryptophan • Heptanoate • Malate • N-Alpha-Acetyllysine • Hexadecanol • Maleamate • Nervonate • Hexanoate • Maleate • N-Formylglycine • Hippurate • Maleimide • N-Formylmethionine • • Malonate • Nicotinamide • Histidine • Maltose • Nicotinamide Adenine Dinucleotide • Histidinol • Mandelate Phosphate • • • Nicotinamide • Homocysteine Thiolactone • Mannosamine Dinucleotide • Homocystine • Mannose • Nicotinamide Mononucleotide • Homogentisate • Mannose 6-Phosphate • Nicotinate • Homoserine • Melanin • • Homovanillate • • Nicotinic Acid Adenine Dinucleotide • Hydroquinone • Melibiose Phosphate • Hydroxykynurenine • Menaquinone • N-Methylaspartate • Hydroxyphenyllactate • Mercaptopyruvate • N-Methylglutamate • Hydroxypyruvate • Meso-Tartrate • N-Methyltryptamine • • Mesoxalate • Nonanoate • Hypoxanthine • Methionine • Noradrenaline • Indole • Methionine Sulfoximine • Norleucine

150 Research Campus Drive, Kannapolis, NC 28081 www.dhmri.org +1 704-250-2600 [email protected] Data Sheet

• Normetanephrine • • • Norspermidine • Putrescine • Tagatose • Norvaline • Pyrazole • Tartrate • O- • Pyridoxal • • O-Acetylserine • • Tetrahydrocortisol • Oleate • Pyridoxamine • Tetrahydrofolate • Oleoyl-Glycerol • Pyridoxine • • Omega-Hydroxydodecanoate • • • O-Phosphoethanolamine • Pyrocatechol • Thiamine • O-Phosphoserine • Pyroglutamate • Thiamine Monophosphate • Ophthalmate • Pyrrole-2-Carboxylate • • Ornithine • Pyruvate • Thiopurine S-Methylether • Orotate • Pyruvic • Thiourea • O-Succinyl-Homoserine • Quinate • Threonine • Oxalate • Quinolinate • • Oxaloacetate • Quinoline • • Oxalomalate • Raffinose • Thymidine-Monophosphate • Oxoadipate • Resorcinol Monoacetate • • Oxoglutarate • Retinoate • Thyrotropin Releasing Hormone • Oxoproline (5-oxo?) • Retinol • Thyroxine • Palatinose • Retinyl Palmitate • Trans-4-Hydroxyproline • Palmitate • Rhamnose • Trans-Aconitate • Palmitoleate • Ribitol • Trans- • Palmitoylcarnitine • Riboflavin • Trans-Cinnamate • Pantolactone • Ribose • Trans-Cyclohexanediol • Pantothenate • Ribose 1,5-Bisphosphate • Trehalose • • Ribose 5-Phosphate • Tricosanoate • Pentanoate • Rosmarinate • Trigonelline • Petroselinate • Saccharate • Trimethylamine • • S-Adenosylhomocysteine • Trimethyllysine • Phenol • S-Adenosylmethionine • • Phenyl Acetate • Salicylamide • • Phenylacetaldehyde • Salicylate • Tyrosine • Phenylacetate • Salsolinol • UDP-Glucuronate • • • UDP-N-Acetylgalactosamine • • S-Carboxymethylcysteine • UDP-N-Acetylglucosamine • Phenylpyruvate • Sebacate • • Phosphocreatine • Selenocystamine • Uracil 5-Carboxylate • Phosphoenolpyruvate • Selenomethionine • Urate • Phosphonoacetate • • Ureidopropionate • Phosphoribosyl Pyrophosphate • • • Phosphorylcholine • S-Hexyl-Glutathione • • Phosphoserine • Shikimate • Uridine Diphosphate Glucose • P-Hydroxyphenylacetate • Sorbate • Uridine Diphosphategalactose • Phylloquinone • Sorbitol • • Phytate • Sorbose • • Picolinate • Spermidine • Urocanate • Pipecolate • Spermine • Ursodeoxycholate • P- • Sphinganine • Valine • Sulfate • • D2 • Prenol • Squalene • • Proline • Stachyose • • Propanoate • Stearate • • Protoporphyrin • Suberate • Xanthurenate • Psicose • Succinate • Xylitol • Pterin • Succinate Semialdehyde • Xylose

150 Research Campus Drive, Kannapolis, NC 28081 www.dhmri.org +1 704-250-2600 [email protected]