findMz.formula

The molecular formula  in text or list format (see <code><a rd-options="" href="/link/formulastring.to.list?package=RMassBank&version=2.0.0" data-mini-rdoc="RMassBank::formulastring.to.list">formulastring.to.list</a></code>

formula

<code>"pH", "pNa", "pM", "pNH4", "mH", "mM", "mFA"</code> for different ions 
([M+H]+, [M+Na]+, [M]+, [M+NH4]+, [M-H]-, [M]-, [M+FA]-). "" for the uncharged molecule.

mode

The absolute mass to add/subtract. Cumulative with <code>ppm</code>

deltaMz


Find the exact mass +/- a given margin for a given formula or its ions and adducts.


Workflow to process tandem MS files and build MassBank records.
Functions include automated extraction of tandem MS spectra, formula
assignment to tandem MS fragments, recalibration of tandem MS spectra with
assigned fragments, spectrum cleanup, automated retrieval of compound
information from Internet databases, and export to MassBank records.

RMassBank at Eawag

RMassBank

Workflow to process tandem MS files and build MassBank records

findMz.formula function

The molecular formula  in text or list format (see <code><a href="formulastring.to.list" rd-options="">formulastring.to.list</a></code>

<code>"pH", "pNa", "pM", "pNH4", "mH", "mM", "mFA"</code> for different ions 
([M+H]+, [M+Na]+, [M]+, [M+NH4]+, [M-H]-, [M]-, [M+FA]-). "" for the uncharged molecule.

Find the exact mass +/- a given margin for a given formula or its ions and adducts.

findMz.formula: Find the exact mass +/- a given margin for a given formula or its ions and adducts.

Description

Usage

Arguments

Value

See Also

Examples