TABLE 1.

Assigned NMR-visible resonances in LB^a

Compoundb	Assigned resonance frequency(ies) (ppm)
Acetate*	1.92
Acetaldehyde*	2.24
Adenosine*	6.08, 8.26, 8.34
Alanine*	1.48, 3.79
Arginine*	1.69, 1.73, 1.75, 1.91, 3.25, 3.78
Asparagine†	1.72, 2.86, 2.96, 4.00
Aspartate*	2.68, 2.82, 3.91
Formate*	8.46
Glucose*	3.39, 5.24
Glutamate*	2.07, 2.35, 3.74
Glycine*	3.57
Glycine-betaine*	3.27, 3.90
Histidine (not fitted)*	3.11, 3.14, 3.31, 7.07, 7.88
6-Hydroxynicotinate†	6.62, 8.07
Indole§	6.61, 7.18, 7.27, 7.42, 7.56, 7.72
Isoleucine*	0.94, 1.01, 1.25, 1.26, 3.68, 3.74
Lactate‡	1.33, 4.12
Leucine*	0.96, 0.97, 1.72, 3.74
Lysine*	1.46, 1.48, 1.73, 1.89, 1.91, 3.03
Methionine*	2.12, 2.14, 2.65
Methionine-S-oxide†	2.74, 2.76, 2.93
Nicotinic acid*	8.61, 8.94
Pyrimidine nucleotide*	5.91
Ornithine‡	3.81
Phenylalanine*	3.11, 3.28, 4.01, 7.33, 7.39, 7.43
Pyroglutamate†	2.06, 2.39, 2.42, 2.51, 7.98
Serine*	3.79, 3.85, 3.96
Succinate†	2.41
Threonine*	1.33, 3.59, 4.26
Trehalose*	3.46, 3.65, 3.83, 3.86, 3.88, 5.20
Tryptophan†	3.31, 7.29, 7.55, 7.74
Tyrosine*	3.073.22, 3.31, 3.94, 6.90, 7.20
Uracil*	5.82, 7.55
Valine*	0.99, 1.05, 2.28, 3.62
Unassigned metabolite (potential quinolone)	7.68, 8.10

^aNote that the metabolites listed here may have other resonances: the table includes only the most characteristic and well-resolved resonances. Resonances in boldface were used for nonlinear fitting of compounds.

^b*, Observed in both LB and SCFM; †, observed in LB only; ‡, observed in SCFM only; §, observed for E. coli only (not tested in SCFM).