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  "Title": "Clustering of MS2 Spectra for Metabolite Identification",
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  "Description": "CluMSID is a tool that aids the identification of features\nin untargeted LC-MS/MS analysis by the use of MS2 spectra\nsimilarity and unsupervised statistical methods. It offers\nfunctions for a complete and customisable workflow from raw\ndata to visualisations and is interfaceable with the xmcs\nfamily of preprocessing packages.",
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  "Date/Publication": "2026-04-28 12:49:20 UTC",
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        "accessID",
        "accessNeutralLosses",
        "accessors",
        "accessPolarity",
        "accessPrecursor",
        "accessRT",
        "accessSpectrum"
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    },
    {
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      "topics": [
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    {
      "page": "cossim",
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        "cossim,MS2spectrum,MS2spectrum-method",
        "cossim,pseudospectrum,pseudospectrum-method"
      ]
    },
    {
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      "topics": [
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      ]
    },
    {
      "page": "extractMS2spectra",
      "title": "Extract MS2 spectra from raw data files",
      "topics": [
        "extractMS2spectra"
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    },
    {
      "page": "extractPseudospectra",
      "title": "Extract pseudospectra",
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    },
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      "topics": [
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      ]
    },
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      "title": "Find spectra that contain a specific fragment",
      "topics": [
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    },
    {
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      "page": "getSimilarities",
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    {
      "page": "mergeMS2spectra",
      "title": "Merge MS2 spectra with or without external peak table",
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    },
    {
      "page": "MS2spectrum-class",
      "title": "A custom S4 class for MS2 spectra, neutral loss patterns and respective metainformation",
      "topics": [
        "intensity,MS2spectrum-method",
        "MS2spectrum-class",
        "mz,MS2spectrum-method",
        "peaksCount,MS2spectrum,ANY-method",
        "precursorMz,MS2spectrum-method",
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        "Merge MS^2^ spectra that derive from the same peak/feature",
        "Merge spectra without external peaktable",
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        "Add annotations",
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        "Distance matrix for product ion spectra",
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        "Visualise distance/similarity data using multidimensional scaling (MDS)",
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        "Access individual spectra from a list of spectra by various slot entries",
        "Find spectra that contain a specific fragment or neutral loss",
        "Match one spectrum against a set of spectra",
        "Convert MSnbase objects to class MS2spectrum",
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