ms1ms2Match: Title When mz and rt are given, find the matched MSMS.

In zhengfj1994/MetEx: Targeted extraction from untargeted metabolomics dataset by using metabolomics database

Title When mz and rt are given, find the matched MSMS.

Description

Title When mz and rt are given, find the matched MSMS.

Usage

ms1ms2Match(
  mz,
  tr,
  ms1DeltaMZ,
  deltaTR,
  mgfMatrix,
  mgfData,
  ms2Mode,
  diaMethod = "NA"
)

Arguments

mz,	m/z
tr,	retention time
ms1DeltaMZ,	the tolerence of m/z
deltaTR,	the tolerence of retention time
mgfMatrix,	a matrix containing the information of mgf
mgfData,	a data containing the information of mgf
ms2Mode,	the mode of MS2 acquisition, ida or dia
diaMethod,	if the ms2Mode is dia, a txt file containing dia method.

Value

matchedMS2

Examples

load(system.file("extdata/testData", "mgfMatrixTest.rda", package = "MetEx"))
load(system.file("extdata/testData", "mgfDataTest.rda", package = "MetEx"))
matchedMS2 <- ms1ms2Match(mz = 118.0106,
                          tr = 120,
                          ms1DeltaMZ = 0.01,
                          deltaTR = 12,
                          mgfMatrix = mgfMatrixTest,
                          mgfData = mgfDataTest,
                          ms2Mode = "ida",
                          diaMethod = "NA")

zhengfj1994/MetEx documentation built on Nov. 19, 2023, 1:34 p.m.