| MS | NMR | References |
---|---|---|---|
Sensitivity | High sensitivity and lower detection limits (reaching nanomolar). Endophytic metabolites with nanomolar concentrations are readily detected | Low but can be enhanced with higher magnetic field strength, multiple scans, cryo- and microprobes and hyperpolarization | (Mompean et al., 2018; Donnelly et al. 2019; Emwas et al. 2019; Liu et al. 2021a, b) |
Sample measurement | Different ionization methods are implemented to increase the coverage of detected metabolites | All metabolites at a detectable concentration level can be quantified in one measurement | (Yoon et al., 2013; Emwas et al. 2019) |
Reproducibility | Average reproducibility | Very high. This is one of the key advantages in NMR spectroscopy | |
Selectivity | Selective, and is a superior tool for targeted analysis when in combination with liquid or gas chromatography | NMR is generally used for nonselective analysis | (Emwas et al. 2019; Liu et al. 2021a, b; Mal et al. 2021; Snow 2021) |
Sample preparation | Complex sample preparation required; different columns and optimization of ionization conditions; coupled with chromatography and sample derivatizations for GC–MS is required | Minimal sample preparation | |
Target analysis | Superior for targeted analysis | It is not ideal for targeted analysis | |
Sample recovery | Destructive technique, sample cannot be recovered after analysis, although, relatively small amount is needed | It is nondestructive, allowing multiple analysis on one sample, and sample can be recovered and stored for long periods | |
Sample analysis time | Slower than NMR, as different chromatographic techniques are employed depending on the metabolite | Fast-the entire sample can be analysed in one measurement | (Yoon et al., 2013; Emwas et al. 2019) |
Quantitative analysis | The intensity of the MS signal frequently lacks a direct correlation with metabolite concentrations because ionization efficiency exerts a substantial influence | NMR possesses an inherent quantitative nature since the signal intensity correlates directly with metabolites concentration and the number of nuclei present in the molecule | (Yoon et al., 2013; Simmler et al. 2014; Emwas et al. 2019; Liu et al. 2021a, b) |
Number of detectable metabolites | 300 to over 1000, depending on the MS coupling used | 30 to 100. Depending on spectral resolution, usually less than 200 metabolites can be clearly detected and identified in a single measurement | (Yoon et al., 2013; Emwas et al. 2019) |
Cost | Cheaper and occupies less space compared to NMR facilities Higher sample cost | More expensive and occupies more space than MS Low cost per sample | (Yoon et al., 2013) |