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Search of spectra by chemical name, peak, InChIKey or SPLASH.
Retrieve spectra and structures that exhibit peaks with a particular m/z value or molecular mass. Accuracy/tolerance interval can be set automatically or by the user. Search for IUPAC, trivial, commercial names and synonyms. The text string can be searched anywhere in the name.
Database searching is the preferred method for protein identification from digital spectra of mass to charge ratios (m/z) detected for protein samples through mass spectrometers. The search database is one of the major influencing factors in discovering proteins present in the sample and thus in der …
Uses the m/z ratio of the peptide before fragmentation (first MS step) Uses MS/MS spectrum. a cross correlation score (XCorr) used as scoring metric. Matches from at least three to six peptides derived from the same protein are typically required to positively identify a protein.
mzCloud is the first public spectral database that offers the Precursor Ion Fingerprinting (PIF) technique. This innovative approach identifies substructural information through the comparison of product ion spectra of structurally related compounds.
20 wrz 2023 · The m/z value, defined as the ratio of the peptide mass to the charge it carries, is influenced by the ionization capacity of the peptide. The unit of m/z can be expressed in amu or mmu, with Da (Dalton) commonly used as the de facto unit.
Furthermore, MS-specific information, such as the precursor's m/z ratio, charge state, and retention time, can be stored. Every PSM can be linked to a spectrum in an external MS data file and can be given a reliability score (see below).
