Mass Calculator
Rather than to have a simple mass calculator for molecular formula, Mass Calculator provides a tool to generate a list of ion series and isotopic pattern modeling. You can type your formula manually or utilize the wide integration of this tool within mMass. Just double-click an item in the Protein Digest, Peptide Fragmentation etc.
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Mass To Formula
Modern high-accuracy instruments allows for calculation of molecular formula from a single measured mass. Mass To Formula tool generates possible molecular formulae corresponding to given mass, tolerance and composition limits. In addition, result can be directly searched within several public databases such as PubChem, METLIN, ChemSpider, HMDB or Lipid MAPS.
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Mass Defect Plot
Mass Defect Plot serves as a simple tool to visualize peaks in selected document based on their fractional mass or various types of mass defect. In a generated plot, similar compounds tend to group into clusters. Standard mass defect is defined as the difference between a compound’s or peaks’s exact mass and its nominal mass. Kendrick mass defect can be utilized to group compounds differing just in the number of CH2 groups.
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Compounds Search
Use the Compounds Search tool to search for a specified compound or even a list of user-defined compounds and related adducts in acquired data. By default huge database of lipids according to Lipid MAPS Consortium is available for easy lipid identification. Use matched compounds to annotate your spectrum or to validate results by isotopic pattern overlays.
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