Category Archives: Uncategorized

How to create a library with Library Manager

TraceFinder use two forms of libraries in the areas of the application that perform library searches.

  • Library Manager (for nominal mass and high resolution spectra)
  • NIST 2008 (for nominal mass spectra)

Though we have had videos showing how to set up both kinds of methods with library searching, we have not covered how to use Library Manager.

Library Manager 2.0 is a quick and simple way to create entries for data once its known.

If you have good chromatographic separations of peaks in the TIC trace as in Gas Chromatography or in UPLC, you can simply use the trace mass filter to pick your peaks.

If you do not you can create an extracted mass chromatogram and then select the spectra you wish to use.

Below is a video of how to create an new library and create entries from a full scan high resolution data file.

If the video is blurry please click the cog wheel at the bottom of the panel and increase the video display resolution.

TF 3.1 – How to Create A Targeted Compound Screening Method

Below is a video on how to create a Screening Method for Targeted Analysis.

The method is used to perfrom a few functions. One is for determining the presence of a compound in an unkown sample of a particualr matrix.

The other is that is can be used as the basis of results that can easily create a quantitative method. Both are very powerful in the day to day operations of a targeted analysis laboratory.

If the video is blurry please click the cog wheel at the bottom of the panel and increase the video display resolution.

New Version of TraceFinder 3.1 Reporting Plugin

A new version of the reporting plugin for TraceFinder 3.1 has been published today. You can download and install it at: https://mytracefinder.com/plugins/ 

Reporting Plugin Version 416.35 Release Notes

  • Report generation format: CSV and Print
  • Pivot table – agreggate operation choice
  • Add Internal Standard property to Peak Chro Plot
  • Notification when new version available
  • Bug fix: repeat area filter (always includes first result)
  • Enable simple formula with parameters
  • Screening Plot Controls
  • Updated templates: High Density Sample Report 1 Long, Confirmation Report, Confirmation Report 2, Quantitation Report

 

mzCloud (Preview of the new way to collaborate with mass spectra)

mzCloud.org

When you initially go to website there will be a notice that the site is under construction. Click OK and the current Preview of the site will open up.

Go explore the great new features of a scientific collaborative suite of tools.

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New Update Available for the Report Template Plugin.

Report Plug in UpDate

Experiment with E-books for TF 3.1

The Link below is for an E-book experiment that we in the product management team are looking into as a way to provide portable information to those in the field.

Please take a look at the example of 4 chapters of an ebook for TraceFinder 3.1. It is powered by Inkling.com and you can use a facebook account or register with Inkling to gain access.

We chose Inkling since it is platform independent and works with any browser on any device. Therefore we are not restricted to only IBooks.

Please review and give feedback as to what you like, dislike or would like to see added.

TraceFinder 3.1 Ebook on Inkling

ebook

Using Time Range Peak Definition

The ability to define a response for a peak/component/compound is needed at times to define an assymetrical response of an analyte. The definition of the peak is determined by the selected mass or signal, and start and stop time for peak detection.

This is different from defining a specific time and a window for a single point response.

There are two settings for peak detection over a period of time. One is Range-Detected, which uses the peak detection settings to find all peaks between the time points above the base line. Therefore, multiple peaks are individually defined and can be removed or manually adjusted, but responses for all individual peaks are summed together. The second setting is Range-Intergrated, this basically draws an intergration line from point A to point B. The entire response to a threshold baseline represents the peak response. Only the left and right edges can be adjusted.

If the video is blurry please click the cog wheel at the bottom of the panel and increase the video display resolution.

New in TraceFinder 3.1 – Create a Quan Method From Screening Results

TraceFinder incorporates targeted screening into it’s daily workflow capabilities.

In method development or basic analysis, once a compound has been identified as present in a sample, the next logical step is to find out how much is in the sample.

By reviewing data and selecting representative peaks from the screening data review grid, TF has the ability to update compound database, and create a quantitative method from screening results.

As a note here, in method development you can use different instrument methods and update the CDB with found peak information. This CDB info can be used for creation of new quantitative methods.

If the video is blurry please click the cog wheel at the bottom of the panel and increase the video display resolution.

New In TraceFinder 3.1 – Sieve Unknown Screening Connector

TF 3.1 now includes a plugin kit, which allows for the rapid development of custom workflows within existing functionality of TF and external applications.

The first technology connection made is to Thermo Sieve 2.1.  This allows a user to send data to and receive selected results from Sieve. This gives TF the ability to complete the “Unknown to Known” workflow. This is accomplished by not reinventing unknown analysis inside of TF, but by leveraging the core competencies of TF and Sieve in a unified platform.

The video below is a short demo of how this works in an Unknown Analysis to Quantitative workflow, by Mark Sanders.

His accompanied ASMS poster is located on a previous posting.

Introducing the Thermo Orbitrap Fusion – The First Tribrid Mass Spectrometer