getms1anno

Annotation of MS1 data by compounds database by predefined paired mass distance

Gas/Liquid Chromatography-Mass Spectrometer(GC/LC-MS) Data Analysis for Environmental Science. This package covered topics such molecular isotope ratio, matrix effects and Short-Chain Chlorinated Paraffins analysis etc. in environmental analysis.

Miao YU

enviGCMS

GC/LC-MS Data Analysis for Environmental Science

Thanh Wang

getms1anno function

<dl><dt>pmd</dt>
<dd>adducts formula or paired mass distance for ions</dd>
<dt>mz</dt>
<dd>unknown mass to charge ratios vector</dd>
<dt>ppm</dt>
<dd>mass accuracy</dd>
<dt>db</dt>
<dd>compounds database as dataframe. Two required columns are name and monoisotopic molecular weight with column names of name and mass</dd></dl>

Arguments

Annotation of MS1 data by compounds database by predefined paired mass distance — getms1anno

<dl>

<dt>pmd</dt>
<dd>adducts formula or paired mass distance for ions</dd>


<dt>mz</dt>
<dd>unknown mass to charge ratios vector</dd>


<dt>ppm</dt>
<dd>mass accuracy</dd>


<dt>db</dt>
<dd>compounds database as dataframe. Two required columns are name and monoisotopic molecular weight with column names of name and mass</dd>

</dl>

getms1anno: Annotation of MS1 data by compounds database by predefined paired mass distance

Description

Usage

Value

Arguments