findKendrickMasses: Find specfic mass defects using Kendrick mass scales

In sneumann/CAMERA: Collection of annotation related methods for mass spectrometry data

Find specfic mass defects using Kendrick mass scales

Description

Todo

Usage

  findKendrickMasses(object, masses=c(14, 14.01565),
  maxHomologue=4, error=0.002, time=60, intval="maxo",
  plot=FALSE)

Arguments

object	xsAnnotate object
masses	nominal mass and exact mass
error	allowed mass difference in Da for matching Kendrick mass defect
maxHomologue	max number of homologue
time	allowed retention time difference between homologues
intval	intensity value (allowed values: maxo,into or intb)
plot	plot hits

Author(s)

Carsten Kuhl <[e-mail]>

Examples

  library(CAMERA)
  library(faahKO)
  xs   <- group(faahko)

  #With specific selected sample
  xsa     <- xsAnnotate(xs)
  #Screen for substance with CH2 differences
  findKendrickMasses(xsa, masses=c(14, 14.01565), plot=TRUE)

sneumann/CAMERA documentation built on April 5, 2024, 2:33 a.m.