| 摘要 |
A method of searching for potentially unknown metabolites of pharmaceutical compounds is disclosed. The accurate mass of a pharmaceutical compound will generally be known and can be rendered in the form of an integer nominal mass or mass to charge ratio component and a decimal mass or mass to charge ratio component. Possible metabolites are searched for on the basis of having a decimal mass or mass to charge ratio component which is substantially very similar to the decimal mass or mass to charge ratio of the parent pharmaceutical compound. This includes applying a decimal mass or mass charge ratio window to a mass spectrum which reduces the significance of ions having a decimal mass or mass to charge ratio component which falls outside of said window. |
