Gregory J Opiteck

A method of identifying molecules of biological origin is disclosed. The molecules are identified and the basis of the accurately determined mass to charge ratio of the molecules and at least a further physico-chemical property such as elution time or charge state. Further physico-chemical properties may be used. The experimentally determined accurate mass and physico-chemical properties can then be compared with a look-up table of information. The look-up table may generated or… Show more

A method of identifying molecules of biological origin is disclosed. The molecules are identified and the basis of the accurately determined mass to charge ratio of the molecules and at least a further physico-chemical property such as elution time or charge state. Further physico-chemical properties may be used. The experimentally determined accurate mass and physico-chemical properties can then be compared with a look-up table of information. The look-up table may generated or physico-chemical properties of data in a conventional database may be calculated. The ability to recognise and preferably identify the same molecules in two different samples may be used to determine whether a particular biological molecules has been expressed differently in an experimental sample relative to a control sample. Show less

Systems, methods, computer programming product, and databases for virtual mass spectrometry (VMS) enable the identification of polypeptides in samples without acquisition of MS/MS fragmentation spectra. Methods according to the invention employ databases containing records corresponding to polypeptides potentially present in samples. In addition to identifying polypeptides, such databases may be used for other purposes, including for example to correct experimental data, e.g., for analytical… Show more

Systems, methods, computer programming product, and databases for virtual mass spectrometry (VMS) enable the identification of polypeptides in samples without acquisition of MS/MS fragmentation spectra. Methods according to the invention employ databases containing records corresponding to polypeptides potentially present in samples. In addition to identifying polypeptides, such databases may be used for other purposes, including for example to correct experimental data, e.g., for analytical systemic errors.
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