mz: Calculate the m/z for peptides.

In Peptides: Calculate Indices and Theoretical Physicochemical Properties of Protein Sequences

Calculate the m/z for peptides.

Description

This function calculates the (monoisotopic) mass over charge ratio (m/z) for peptides, as measured in mass spectrometry.

Usage

mz(seq, charge = 2, label = "none", aaShift = NULL, cysteins = 57.021464)

Arguments

seq	An amino-acids sequence, in one letter code.
charge	The net charge for which the m/z should be calculated
label	Set a predefined heavy isotope label. Accepts "none", "silac_13c", "silac_13c15n" and "15n". Overwrites input in aaShift.
aaShift	Define the mass difference in Dalton of given amino acids as a named vector. Use the amino acid one letter code as names and the mass shift in Dalton as values.
cysteins	Define the mass shift in Dalton of blocked cysteins. Defaults to 57.021464, for cysteins blocked by iodoacetamide.

Examples

mz("EGVNDNECEGFFSAR")
mz("EGVNDNECEGFFSAR", aaShift = c(K = 6.020129, R = 6.020129))
mz("EGVNDNECEGFFSAR", label = "silac_13c", cysteins = 58.005479)

Peptides documentation built on May 29, 2024, 11:02 a.m.