Extending compound identification for molecular network using the LipidXplorer database independent method: A proof of concept using glycoalkaloids from Solanum pseudoquina A. St.-Hil.

Vitor SoaresRahil TaujaleRafael GarrettAntonio Jorge R da SilvaRicardo Moreira Borges

Published in: Phytochemical analysis : PCA (2018)

A significant compound identification completely based on molecular formula and fragmentation queries was achieved. This new and effective approach could help researches to expand the identification rate of compounds in dereplication studies using molecular networks.

Keyphrases

bioinformatics analysis
single molecule
emergency department
human milk
adverse drug