![]() The database, located on a central server, serves multiple instruments and computers. All information regarding samples, status of the jobs, data, reports and processing results are stored in an Oracle database. This instrumentation enables chemists with limited LC–MS skills to rapidly confirm and identify pharmaceutical compounds with "sub-ppm" confidence in a fully automated workflow.Ĭompass OpenAccess (Bruker Daltonics) has been implemented with client/server architecture. Novel technologies embodied in the micrOTOF mass spectrometer (Bruker Daltonics) allows precise measurement of both accurate mass and true isotopic pattern (TIP) over a wide dynamic range, allowing for the automated evaluation of analyses implemented in an open access system. ![]() Consequently, skilled manual inspection or further measurements deploying additional analytical techniques (NMR or MS–MS) are frequently required to arrive at a confident formula assignment. However, for de novo formula generation and confirmation the residual mass accuracy tolerance of 3–5 ppm can still leave significant ambiguity in the proposed formula. Combining an ultra fast LC system (e.g., Agilent 1200RRLC, Waters UPLC) with an accurate mass TOF mass spectrometer creates a powerful system for information-rich high-throughput analyses.
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