LCMS Unknown Identification with NIST Search Using MSMS Libraries

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NIST, Wiley, Mona, and user-created tandem mass spectral libraries are very powerful tools for the identification of organic compounds in complex mixtures by liquid chromatography-mass spectrometry (LC-MS).  This series of webinars will demonstrate the use of the NIST software suite including the NIST Search, and MS Interpreter for searching tandem libraries. The series should be useful to a wide variety of research and developmental scientists involved in medical, environmental, industrial, forensic, and biological disciplines.

The webinars demonstrate both Versions 3.0 (2023) and V2.4 of the NIST search. If you are using V3.0, start with Part 0. If you are using V2.4, start with Part I.

Videos:

Part 0: Changes in Tandem (MS/MS) NIST23 Search Program (V3.0)
Part I: Overview
Part II: NIST MS/MS Search
Part III: Detailed Discussion Hybrid MS/MS Search
Part IV: Importing MSMS Spectra
Part V: NIST Structure Searches
Part VI: MS Interpreter
Part VII: Creating-Using MSMS Libraries
Part VIII: "Spectraless Libraries"

Part 0: Higher Quality Video Download
Higher Quality Videos Zipped Pt. I-VIII

Detailed Handouts:

Part 0: Changes in Tandem (MS/MS) NIST 23 Search Program (V3.0)
Part I: Overview
Part II: NIST MSMS Search
Part III: Detailed Discussion Hybrid MS/MS Search
Part IV: Importing MSMS Spectra
Part V: NIST Structure Searches
Part VI: MS Interpreter
Part VII: Using-Creating MSMS Libraries
Part VIII: "Spectraless" Libraries

Handouts Pt. I-VIII_Zipped

Resources:

New NIST23 Brochures and Purchasing
NIST23 ASMS Presentation, Houston, TX
NIST23 Separation Sciences Article by David Sparkman
NIST User Manuals
NIST Approach for Creating Libraries
ACD Free Software (structure drawing program personal/academic use)
Mass Spec Calculator Professional (free structure drawing program)
Databases Listed in Version 3.0
Delta Mass Table (Excel format)
Delta Mass Table (PDF format)
Using with Manufacturers' Data Processing Software
NIST Tandem Quick-Start Guide
Beyond the Top Hit: Information from Hybrid Similarity Search Hit Lists
MS_Interpreter Correlating Structure to Spectrum
Lib2NIST (not included with NIST tandem library)
Importing Spectra to NIST Search
Free Reference Library 713,033 Spectra/653,330 Strutures (Read_me file in zip)
Lib2NIST_documentation
PowerShell Script for Adding Precursor_m/z Field to User Library
Practical HPLC Simulator
NIST Downloads Libraries-Tools-Software

Download HUGE FREE Group of MSMS Libraries in NIST Format:
Libraries in NIST format from MONA website and a few other sources. The file contains 713,033 spectra and 653,330 associated structures all in NIST format. The Zip File contains a read_me file that you should read before using.

713K FREE spectra and 653K Structures (Be patient, will take a while to download!)

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