LabSolutions Insight Library Screening - Support

LC/MS/MS Screening Software

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Product Summary

Contents

LabSolutions Insight Library Screening installation disc for additional features*1

MRM spectrum library disc

  • MRM spectrum library including 235 veterinary drugs and 584/1208 toxicological compounds.
  • Template method file for acquisition of MRM spectra
    • Method for veterinary drug screening
    • Method for toxicology screening (584 compounds)*2
    • Method for toxicology screening (1208 compounds)*2
  • Chemical structure (.mol) file of all included compounds
  • SQL-based compound database file containing the optimized MRM parameters*3
  • PDF files indicating compound names and acquisition parameters.
Instruction manual

Specification

Features for quantitative data analysis

Features for quantitative data analysis, common to LabSolutions Insight product line.

  • Peak filtering by flagging
    Chromatographic peaks can be labelled with conspicuous flags that appear if a peak or data meets user-defined conditions. For example, the concentration flags is setting for data exceeding legal or company limits. A single click can navigate users to flagged peaks to facilitate data review.
  • Flaggable parameters
    Flagging parameters can be set in about 30 different ways, including different alert levels for the same parameter.
  • Flexible data display for efficient review
    All display panes are floatable, dockable and hideable to allow users to design the work field to maximize performance. This is particularly effective with a large monitor or multiple monitors.
    Sample survey view can display numerous peaks in one view, which can be sorted by flagging or filtering features.
  • Easy manipulation of quantitative results
    Calibration curves can be edited directly on the screen. With one click, you can change the type of calibration curve, the weighting method, whether or not the calibration point passes the origin, and whether or not the calibration point is excluded or added. The parameter change is immediately reflected in quantitative results.

 

Qualitative features added

Qualitative features added in the Library Screening option

  • Displaying Spectra
    The spectra obtained by various modes are extracted and drawn according to the peak elution time of the target compound, and are shown side by side with the reference spectrum and chemical structure. The addition of qualitative information increases the reliability of compound identification.
  • Library search
    The acquired MS/MS spectrum data is collectively searched against the library, outputting a list of candidate compounds with high similar scores. Identification information at the top of the list is reflected in the quantified results table, which can be used for efficient data review through flagging and filtering.

 

  • Requires prior installation of LabSolutions Insight (version 3.7 SP3 or later).
  • The methods differ by LC conditions, the 584-compound method uses a C18 column, whereas the 1208-compound method uses a biphenyl column.
  • Requires LabSolutions Connect (sold separately) for using the compound database.

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