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Table 4 Discriminating metabolites between breakfast meals in multivariate models

From: The 1H NMR serum metabolomics response to a two meal challenge: a cross-over dietary intervention study in healthy human volunteers

Meal Metabolite Chemical shift (ppm) p-valuea Model
CBb Tyrosine 7.19c, 6.89 < 0.0001 Alld
CB Proline 4.13e, 4.14, 4.15, 3.33, 3.34, 3.35, 2.37, 2.36, 2.35, 2.34, 2.33, 2.10, 2.09, 2.07f, 2.06, 2.03, 2.02, 2.01, 2.00, 1.99, 1.98, 1.97 < 0.0001 All
CB NAAg 2.09, 2.08, 2.06, 2.05, 2.03, 1.99 < 0.0001 All
CB 3-hydroxybutyrate 1.20 0.014 OPLS-DAh, OPLS-EPi
CB Valine 1.05 , 1.04, 1.00, 0.99 0.0004 OPLS-DA, OPLS-EP
CB (Glucose)j 5.24 , 3.91, 3.89 0.005 OPLS-DA, OPLS-EP
CB Unknown 3.44, 1.15, 1.14 ANOVA-PLSk
EHBl Methanol 3.37 < 0.0001 All
EHB Creatine 3.94, 3.04 < 0.0001 All
EHB Isoleucine 1.97, 1.98, 1.02, 1.01, 0.95, 0.94, 0.93 < 0.0001 All
EHB (Alanine)m 3.79 < 0.0001 All
EHB Arginine 1.89, 1.90, 1.91, 1.92 < 0.0001 ANOVA-PLS
EHB Lysine 3.03, 3.02, 1.90, 1.91, 1.92 < 0.0001 ANOVA-PLS
EHB 4-aminobutyrate 1.90 < 0.0001 ANOVA-PLS
EHB Choline 3.21 < 0.0001 ANOVA-PLS
EHB Glutamine 2.16 < 0.0001 ANOVA-PLS
EHB (Glucose)j 3.86, 3.74, 3.72 , 3.49 0.0006 OPLS-DA, OPLS-EP
EHB Lactate 4.11 0.60 OPLS-DA
EHB Glycine 3.57 0.0002 OPLS-DA, OPLS-EP
EHB Unknown 4.05, 3.77, 3.73, 3.68, 2.56 All
  1. aWilcoxon signed rank test
  2. bCereal breakfast
  3. cUnderscored chemical shift used for p-value calculation and variable rank number
  4. dIncludes ANOVA-PLS, OPLS-DA, and OPLS-EP models
  5. eBold chemical shifts indicate discriminating variable only in ANOVA-PLS model
  6. fItalic chemical shifts indicate discriminating variable only in OPLS-DA and OPLS-EP models
  7. gN-acetylated-amino acids
  8. hOrthogonal Projections to Latent Structures with Discriminant Analysis
  9. iOrthogonal Projections to Latent Structures with Effect Projections
  10. jUnknown masked by glucose
  11. kANalysis Of Variance – Partial Least Squares
  12. lEgg and ham breakfast
  13. mOverlap with glucose and unknown metabolites
  14. – Not relevant