Update: 30 September, 2023
This Application Note presents a workflow for the identification of main drug metabolites by sample comparison as well as by structure elucidation of the identified metabolites based on accurate MS and MS/MS data acquired with a quadrupole time-of-flight (Q-TOF) LC/MS. In pharmaceutical drug development the main metabolites of a new drug candidate must be identified as fast as possible and with high confidence. Software for this task is described, which analyzes the metabolized drug samples and visualizes the differences with non- metabolized drug samples for manual investigation. The structures of possible metabolites are elucidated by examination of the original highly-accurate Q-TOF mass data based on the differences between the metabolized and non-metabolized drug samples.
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MD5 Checksum: 22D470935EA2558795EF4DD77F2B9987
Publication date: 02 July, 2012
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