vignettes/output_database.Rmd
output_database.RmdMassBank, MoNA and some
other public databases provide msp format database of
metabolites. So you can use the functions in metid to
output metid format database to msp format
which can be used for GNPS, MassBank and
MoNA.
msp format
Just use the write_msp_massbank() function to output
metid database to msp format for MassBank.
write_msp_massbank(databasae = databasae, path = ".")The arguments of write_msp_massbank() can be found here
write_msp_massbank().
mgf format
Just use the write_mgf_massbank() function to output
metid database to mgf format for MassBank.
write_mgf_massbank(databasae = databasae, path = ".")The arguments of write_msp_massbank() can be found here
write_msp_massbank().
msp format
Just use the write_msp_mona() function to output
metid database to msp format for mona.
write_msp_mona(databasae = databasae, path = ".")The arguments of write_msp_mona() can be found here
write_msp_mona().
mgf format
Just use the write_mgf_mona() function to output
metid database to mgf format for mona.
write_mgf_mona(databasae = databasae, path = ".")The arguments of write_msp_mona() can be found here
write_msp_mona().
msp format
Just use the write_msp_gnps() function to output
metid database to msp format for gnps.
write_msp_gnps(databasae = databasae, path = ".")The arguments of write_msp_gnps() can be found here
write_msp_gnps().
mgf format
Just use the write_mgf_gnps() function to output
metid database to mgf format for gnps.
write_mgf_gnps(databasae = databasae, path = ".")The arguments of write_msp_gnps() can be found here
write_msp_gnps().
sessionInfo()
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