metAnnotation: metAnnotation
In ZhuMSLab/MetDNA: MetDNA

metAnnotation

R Documentation

metAnnotation

Description

Annotate peak table from one metabolite.

Usage

metAnnotation(metabolite.name = "M175T962", metabolite.id = "C00062",
  formula = "C6H14N4O2", adduct = "M+H", polarity = c("positive",
  "negative"), mz = 175.118, rt = 961.6225, peak.mz, peak.rt, cor, ms2,
  mz.tol = 25, rt.tol = 30, cor.tol = 0, dp.tol = 0.5, step = 1,
  metabolite, metabolic.network, adduct.table)

Arguments

`metabolite.name`	The metabolite name.
`metabolite.id`	The metabolite ID.
`formula`	The formula of metabolite.
`adduct`	The adduct of metabolite.
`polarity`	The polarity.
`mz`	The mz of metabolite.
`rt`	The RT of metabolite.
`peak.mz`	The mz of all peaks.
`peak.rt`	The RT of all peaks.
`cor`	The correlation of metabolite between all peaks.
`ms2`	The ms2 data of peak table.
`mz.tol`	The mz tolerance.
`rt.tol`	The RT tolerance for metabolite annotation. (%)
`cor.tol`	The cor tolerance.
`dp.tol`	The tolerance of dot product.
`step`	The reaction step.
`metabolite`	The kegg compound database.
`metabolic.network`	kegg.rpair2
`adduct.table`	Adduct table.