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An interesting application of ChEBI is ARISTO [9] which provides assignments to ChEBI using a mass spectrum of compounds as input.
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The MS/MS spectra of the peptides were acquired using data-dependent scanning in which one full MS spectrum using a mass range of 400 2000 amu was followed by three MS/MS spectra.
One spectra was acquired per second with 1000 ms/spectrum using a mass range of 300 3,000 m/z.
We identified this peak as a novel truncated form of serum amyloid A with N-terminal at Lys-34 of the circulating form and validated its identity using a hybrid mass spectrum immunoassay technique.
In addition to optimization of sample preparation, a quantitative strategy to identify DEPs was employed using the mass spectrum data.
The peaks were then tentatively identified from their retention characteristics and mass fragmentation patterns by using NIST mass spectrum database.
Using a tandem mass (MS) spectrum taken from the profile dataset described in reference [ 18], we illustrate in Table 3 two search results in the human protein database with the annotated SAPs and PTMs turned off (a) and on (b) respectively.
Biomarker discovery datasets created using mass spectrum protein profiling of complex mixtures of proteins contain many peaks that represent the same protein with different charge states.
Williams, C. R. et al. Describing the shape of raindrop size distributions using uncorrelated raindrop mass spectrum parameters.
The mass spectrum from time-resolved spectra was analyzed and recorded using a MassARRAY mass spectrometer (Sequenom), and each spectrum was then quantified and called using SpectroTYPER and SpectroREADER software (Sequenom), respectively.
As AMDIS uses the mass spectrum as well as the retention index to identify a substance, it has the advantage of reliably detecting compounds, even in low quantities.
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