findMz.formula {RMassBank} | R Documentation

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

### Description

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

### Usage

    findMz.formula(formula, mode = "pH", ppm = 10, deltaMz = 0)

### Arguments

`formula` | The molecular formula in text or list format (see `formulastring.to.list`
`mode` | `"pH", "pNa", "pM", "pNH4", "mH", "mM", "mFA"` for different ions ([M+H]+, [M+Na]+, [M]+, [M+NH4]+, [M-H]-, [M]-, [M+FA]-). "" for the uncharged molecule.
`ppm` | The ppm margin to add/subtract
`deltaMz` | The absolute mass to add/subtract. Cumulative with `ppm`

### Value

A `list(mzMin=, mzCenter=, mzMax=)` with the masses.

### Author(s)

Michael A. Stravs, Eawag <michael.stravs@eawag.ch>

### See Also

`findMz`

### Examples

    findMz.formula("C6H6")

[Package RMassBank version 3.0.0 Index]