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Table 4 Macromolecule peaks simulated in LCModel

From: Ex-vivo HRMAS of adult brain tumours: metabolite quantification and assignment of tumour biomarkers

Molecular group of the resonance Chemical shift (ppm) Line width (Hz)
Lipid -CH3 0.969 ± 0.05 0.1 ± 0.09
Lipid -CH2-...-CH2-CH2-CH3 1.333 ± 0.05 0.1 ± 0.09
Lipid -CH2-CH2-COOH 1.609 ± 0.01 0.04 ± 0.02
Lipid -CH2-CH = 2.056 ± 0.01 0.04 ± 0.02
Lipid -CH2-COOH 2.277 ± 0.01 0.04 ± 0.02
Lipid = CH-CH2-CH = 2.829 ± 0.01 0.04 ± 0.02
Lipid = CH-CH2-CH = 2.858 ± 0.01 0.04 ± 0.02
MM (protein) 3.285 ± 0.01 0.04 ± 0.02
  1. The simulation parameters of broad macromolecule resonances for LCModel that were included in the fit of each spectral quantification. The chemical shift and line width with their allowed range of variability (±) are given alongside the molecular group that each broad singlet is simulating (highlighted in bold). MM (protein) refers to a variety of protein signals that produce a broad resonance in this region.