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Summary of the SCIEX All-In-One High Resolution MS/MS and NIST ‘17 MS/MS mass spectral libraries

Oscar G. Cabrices1, Katherine C. Hyland1, Baljit K. Ubhi1, Alex Liu1, Adrian M. Taylor2 and David M. Cox2
1SCIEX, USA; 2SCIEX, Canada.

Introduction

The flexibility of SCIEX instrumentation and software solutions provide scientists a fast way to analyze large batches of samples with accurate and efficient MS/MS library searching for compound identification, data mining, and compound database management. Combining the licensed National Institute of Technology (NIST) MS/MS Spectral Library with the SCIEX All-In-One High Resolution MS/MS library, a comprehensive MS/MS spectral library bundle containing 17,708 compound entries is provided.

Figure 1. Gain comprehensive compound coverage using the SCIEX All-In-One High Resolution MS/MS Spectral Library containing over 17000 compounds. The inclusion of the NIST ‘17 MS/MS library license increases compound coverage all the way from human and plant Metabolites, to additional Forensic Compounds and Pesticides contained in the proprietary SCIEX MS/MS Spectral Libraries for use on TripleTOF and X-Series QTOF Systems.

Advantages of the SCIEX All-in-One High Resolution MS/MS Spectral Library

  • Includes a SCIEX proprietary 3900 analyte library created using certified reference materials, including compounds commonly tested for in forensics, food, environmental and metabolomics samples.·    The NIST ‘17 MS/MS Library license adds a comprehensive range of different compounds (13,808 small molecules) for enhanced coverage.
  • The NIST ‘17 MS/MS Library license adds a comprehensive range of different compounds (13,808 small molecules) for enhanced coverage.
  • Contains MS and MS/MS spectral data for both positive and negative ionization for library matching.
  • Use the integrated MS and MS/MS information to build methods without the need to infuse standards and optimize conditions for a given compound.
  • Easily create processing methods for an IDA or SWATH® Acquisition workflow for use on TripleTOF® and X-Series QTOF Systems.
  • Quickly setup XIC tables for quantitation and identification with SCIEX OS Software or MasterView™ Software. Build customized libraries by simply selecting only the compounds of interest using the LibraryView™ Software.