Targeted Metabolomics

Targeted analysis focuses on the quantitation of a set of known metabolites. The identities of metabolites are initially established according to available databases and/or standards; the identified metabolite are quantified based on internal or external reference compounds. The resulting data can then be used for pathway analysis or as input variables for statistical analysis. Targeted metabolomics provides high data quality based on reliable peak identification and measurement of metabolite integrals. Therefore, these assays can provide greater insights into the dynamics and fluxes of metabolites and promises robust statistical models for distinguishing sample classes with better classification accuracy.

Our center offers the following MS- and NMR-based targeted analysis assays. Click below for a description of each available method. For additional information about costs, please check assays & fees

Quantitative NMR Analysis
Absolute quantitation of 60+ metabolites in biofluids including amino acids, organic acids, carbohydrates, and heterocyclic compounds. Details here.

  • Nagana Gowda, G. A.; Gowda, Y. N.; Raftery, D. Expanding the Limits of Human Blood Metabolite Quantitation Using NMR Spectroscopy. Anal. Chem. 2015, 87 (1), 706–715. https://doi.org/10.1021/ac503651e.

Coenzyme Analysis
Relative quantitation of coenzymes and antioxidants in whole blood by NMR analysis. Details here.

  • Nagana Gowda, G. A.; Raftery, D. Whole Blood Metabolomics by 1 H NMR Spectroscopy Provides a New Opportunity To Evaluate Coenzymes and Antioxidants. Anal. Chem. 2017, 89 (8), 4620–4627. https://doi.org/10.1021/acs.analchem.7b00171.
Targeted Assay of 300+ Aqueous Metabolites
Relative quantitation of 300+ aqueous metabolites including amino acids, sugars, nucleotides/nucleosides, vitamins, polyamines, organic acids, along with ~30 stable-isotope labeled internal standards for concentration determinations. Details here.

  • Navarro; S.L.; Tarkhan; A.; Shojaie; A.; Randolph; T.W.; Gu; H.; Djukovic; D.; Osterbauer; K.J.; Hullar, M.A.; Kratz, M.; Neuhouser, M.L.; Lampe; P.D.; Raftery; D.; Lampe; J.W.; Plasma metabolomics profiles suggest beneficial effects of a low-glycemic load dietary pattern on inflammation and energy metabolism. Am J Clin Nutr. 2019, 110 (4), 984-992. https://doi.org/10.1093/ajcn/nqz169.
Targeted Lipidomics of 1000+ Lipids
Relative quantitation of 1000+ lipids including the classes of acylglycerols TAG & DAG, free fatty acids, phosphatidylcholine (PC), phosphatidylethanolamines (PE), Lyso-PC, Lyso-PE, ceramides & sphingomyelins. Details here.

  • Hanson, A. J.; Banks, W. A.; Bettcher, L. F.; Pepin, R.; Raftery, D.; Craft, S. Cerebrospinal fluid lipidomics: effects of an intravenous triglyceride infusion and apoE status. Metabolomics 2020, 16 (1), 6. https://doi.org/10.1007/s11306-019-1627-x.
Ceramides & Glycosyl Derivatives Quantitation
Quantitation of ceramides and glycosylceramides. Details here.

Bile Acids Quantitation
Absolute quantitation of ~50 unconjugated and conjugated bile acids from human, rodent or pig.

  • UCA, 3keto-cholanic acid, 3β-hydroxy-5-cholenic acid, lithocholenic acid, alloLCA, LCA, isoLCA, nor-DCA, 3,6-diketo-5α-cholanic acid, 3,6-diketo-5β-cholanic acid, 3,7-diketo-5β-cholanic acid, 3,12-diketo-5β-cholanic acid, 3α-hydroxy-12-keto-5β-9(11)-cholenic acid, 3α-hydroxy-12-keto-5β-cholanic acid, 3α-hydroxy-7-keto-5β-cholanic acid, 3α-hydroxy-6-keto-5α-cholanic acid, 3α,12α-dihydroxy-5β-8(14)-cholenic acid, muroCA, CDCA, HDCA, isoDCA, DCA, UDCA, 3β,12α-dihydroxy-5β-cholanic acid, DHCA, 3α-hydroxy-6,7-diketocholanic acid, 3α-hydroxy-7,12-diketocholanic acid, 12-DHCA, 3-DHCA, 3α,6α-dihydroxy-7-keto-5β-cholanic acid, αMCA, HCA, βMCA, CA, ωMCA, GUCA, GLCA, GCDCA, GHDCA, GDCA, GUDCA, GDHCA, GHCA, GCA, TUCA, TLCA, TDCA, TCDCA, TUDCA, THDCA, TDHCA, TαMCA, THCA, TωMCA, and TCA.
  • Ginos, B. N. R.; Navarro, S. L.; Schwarz, Y.; Gu, H.; Wang, D.; Randolph, T. W.; Shojaie, A.; Hullar, M. A. J.; Lampe, P. D.; Kratz, M.; et al. Circulating Bile Acids in Healthy Adults Respond Differently to a Dietary Pattern Characterized by Whole Grains, Legumes and Fruits and Vegetables Compared to a Diet High in Refined Grains and Added Sugars: A Randomized, Controlled, Crossover Feeding Study. Metabolism 2018, 83, 197–204. https://doi.org/10.1016/j.metabol.2018.02.006.
Tryptophan Pathway
Absolute quantitation of ~20 metabolites from tryptophan pathway, including nicotinamide, kynurenic & xanthurenic acids, and melatonin.

  • indole, nicotinamide, nicotinic acid, 3-methyl indole, anthranilic acid, glutamic acid, 3-hydroxyanthranilic acid, tryptamine, quinolinic acid, indole-3-acetic acid, serotonin, 3-indolepropionic acid, kynurenic acid, HIAA, indole-3-pyruvic acid, tryptophan, xanthurenic acid, indole-3-lactic acid, kynurenine, 5-hydroxytryptophan, 3-hydroxykynurenine, and melatonin.
  • Burr, R. L.; Gu, H.; Cain, K.; Djukovic, D.; Zhang, X.; Han, C.; Callan, N.; Raftery, D.; Heitkemper, M. Tryptophan Metabolites in Irritable Bowel Syndrome: An Overnight Time-Course Study. J. Neurogastroenterol. Motil. 2019, 25 (4), 551–562. https://doi.org/10.5056/jnm19042.
Short-Chain Fatty Acids Quantitation
Absolute quantitation of 10 short-chain fatty acids by isotope-labeled chemical derivatization and LC-MS or NMR analysis.

  • acetic acid, propionic acid, butyric acid, isobutyric acid, 2-methylpropanoic acid, 2-methylbutyric acid, isovaleric acid, 3-methylbutyric acid, valeric acid, pentanoic acid, caproic acid, hexanoic acid, 3-methyl-valeric acid, 3-methylpentanoic acid, isocaproic acid, and 4-methylvaleric acid.
Customized Targeted Analysis
Custom method development for relative or absolute quantitation of known metabolites of interest.