Database construction

Construct in-house or public MS2 spectra database.

databaseConstruction()

Construct in-house or public MS2 database for metID.

rtCor4database()

Correct RTs of metabolites in database using internal standard list

get_ms2_spectrum() get_ms2_spectrum()

Get MS2 spectra of peaks from databaseClass object

Metabolite identification

Metabolite identification based on MS1 and MS2 databases.

which_has_identification()

Get the peak names which have identifications

trans_to_new_style()

Transform old style identification table to new style

ms2plot()

Get MS2 match plots from a metIdentifyClass object

identify_single_peak()

Identify single peak based on database.

identify_metabolites_params()

Generate the parameter list for identify_metabolites function

identify_metabolites()

Identify metabolites based on MS1 or MS/MS database

get_parameters()

Get parameters from a metIdentifyClass object

get_ms2_spectrum_from_object()

Get spectra of peaks from metIdentifyClass object

get_identification_table()

Get identification table from a metIdentifyClass object

get_iden_info()

Get identification information from a metIdentifyClass object

filter_identification()

Filter identifications according to m/z error, RT error, MS similarity and total score

Data

Some data embed in metID

hilic.pos

HILIC positive mode adduct table

hilic.neg

HILIC negative mode adduct table

rp.pos

Reverse phase positive mode adduct table

rp.neg

Reverse phase negative mode adduct table

msDatabase_rplc0.0.2

Michael Snyder lab RPLC database

msDatabase_hilic0.0.2

Michael Snyder lab RPLC database

annotate_result

A metIdentifyClass object.

Other functions

Other usefull functions in metID

readMGF()

readMGF

readMSP()

readMSP

readMZXML()

readMZXML

metID()

Show the base information of metID pacakge