Extended Data Fig. 1: Representative partial 600 MHz 1H-NMR spectra of human urine showing selected assignments of some of the major metabolic signals.
From: Nutriome–metabolome relationships provide insights into dietary intake and metabolism
Full 600 MHz 1H-NMR spectrum (mean of first visit data) is shown in 3 panels, top to bottom: δ 0.5–2.5 ppm, δ 2.5–4.5 ppm and δ 6.4–9.5 ppm. Metabolites found associated with intake of nutrients are labelled. Key: 1 – fatty acids (C5-C10), 2 – pantothenate, 3 – isoleucine, 4 – leucine, 5 – valine, 6 – 2-hydroxy-2-(4-methylcyclohex-3-en-1-yl)propoxyglucuronide, 7 – ethanol, 8 – ethyl glucuronide, 9 – 3-hydroxyisovalerate, 10 – alanine, 11 – unknown 1, 12 – acetate, 13 – phenylacetylglutamine, 14 – glutamine, 15 – O-acetylcarnitine, 16 – acetone, 17 – proline betaine, 18 – succinate, 19 – citrate, 20 – dimethylamine, 21 – S-methyl-cysteine-sulfoxide metabolite, 22 – N-acetyl-S-methyl-cysteine-sulfoxide, 23 – S-methyl-cysteine-sulfoxide metabolite, 24 – S-methyl-cysteine-sulfoxide, 25 – dimethylglycine, 26 – creatine, 27 – creatinine, 28 – N6,N6,N6-trimethyllysine, 29 – histidine, 30 – 1-methylhistidine, 31 – carnitine, 32 – taurine, 33 – trimethylamine-N-oxide, 34 – 4-hydroxyproline betaine, 35 – unknown 2, 36 – 4-hydroxyhippurate, 37 – hippurate, 38 – N-methylpyridinium, 39 – N-methylnicotinate, 40 – N-methylnicotinamide, 41 – N-methyl-2-pyridone-5-carboxamide, 42 – tyrosine, 43 – 3-hydroxymandelate, 44 – 2-furoylglycine, 45 – pseudouridine, 46 – formate.
