mz: Calculate the m/z for peptides.

View source: R/mz.R

mzR Documentation

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.