LCMS Report Annotation Dialog Box

This macro will create an extra page in the LCMS deconvolution report containing an MSD chromatogram with peak retention times augmented by deconvolution mass information from the corresponding mass spectra.

Note: This macro does not work on SIM data, only scan data.

LCMS Annotation During Deconvolution Report Group Box

Enable Check Box - Enables the LCMS Annotation Macro

Macro Operation

The macro will be automatically called by ChemStation routines during execution of the LCMS Deconvolution report.  If the macro is enabled an additional page, described  in detail below, will be generated during the report.  If the macro is not enabled no additional report page will be generated.

Extra Report Page

The extra report page will have an MS chromatogram drawn with mass spectra information appended to the normal peak retention time annotation according to the following description:

If deconvolution of a spectra was successful, the mass of the most abundant deconvoluted component will be appended to the retention time of the corresponding chromatogram peak, followed by an M.

If deconvolution of a spectra was not successful, the mass of the most abundant ion will be appended to the retention time of the corresponding chromatogram peak, followed by an I, but only if that peak height is above the absolute noise cutoff setting and relative abundance % value.

An * will be appended to the annotation of chromatogram peaks which have multiple spectral peaks, either deconvolution and/or ionic. Ionic peaks must meet the peak height criteria to be counted for this annotation.