omicsTools (version 1.1.7)

ms1_annotation: MS1 Annotation

Description

MS1 Annotation

Usage

ms1_annotation(
  AnnotaData,
  masstole = 0.05,
  toleUnit = 1,
  annotaDB = "metlin",
  ionMode = "pos",
  adducts = NULL
)

Value

An annotation result object (typically a data frame) for the provided m/z list.

Arguments

AnnotaData

Numeric vector of m/z values (or an object coercible to numeric).

masstole

Numeric mass tolerance. Default is 0.05.

toleUnit

Unit for tolerance: 1 = Da, 2 = ppm.

annotaDB

Annotation database, e.g. "metlin" or "hmdb".

ionMode

Ion mode: "pos", "neg", or "neu".

adducts

Optional character vector of adduct names to consider.