toRMB {RMassBank} | R Documentation

## Conversion of XCMS-pseudospectra into RMassBank-spectra

### Description

Converts a pseudospectrum extracted from XCMS using CAMERA into the msmsWorkspace(at)spectrum-format that RMassBank uses

### Usage

    toRMB(msmsXCMSspecs, cpdID, mode, MS1spec)

### Arguments

`msmsXCMSspecs` | The compoundID of the compound that has been used for the peaklist
`cpdID` | The compound ID of the substance of the given spectrum
`mode` | The ionization mode that has been used for the spectrum
`MS1spec` | The MS1-spectrum from XCMS, which can be optionally supplied

### Value

One list element of the (at)specs-entry from an msmsWorkspace

### Author(s)

Erik Mueller

### See Also

`msmsWorkspace-class`

### Examples

    ## Not run:
    		XCMSpspectra <- findmsmsHRperxcms.direct("Glucolesquerellin_2184_1.mzdata", 2184)
         wspecs <- toRMB(XCMSpspectra)

    ## End(Not run)

[Package RMassBank version 3.2.0 Index]