| 摘要 |
A method of screening a sample for at least one compound of interest comprises assigning an expected value of ion mobility and an expected value of at least one further property corresponding to ions generated from the compound of interest. The expected properties are compared with experimentally measured properties of candidate ions in the sample. The sample may be determined to comprise the compound of interest if the expected properties are matched to experimentally measured values. The ion mobility tolerance window for matching may be narrower than the tolerance window of the further property. The further property of ions may be a mass or mass to charge ratio or an isotopic pattern of the ions. The further property of ions may also be a property of product ions (e.g. formed by fragmentation, reaction or activation) generated from ions of the compounds of interest. The expected values may be stored in a database memory. |
