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Tandem Mass Spectrometry01:21

Tandem Mass Spectrometry

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Tandem mass spectrometry is a technique that uses multiple mass analyzers in series to obtain a higher selectivity and reduce chemical noise during analyte detection. Instruments with multiple analyzers separated by an interaction cell enable secondary fragmentation and selected study of the fragment ions.Secondary fragmentations occur in the interaction cell and can be induced by various factors. Fragmentation induced by collision with inert gases, such as N2, Ar, He, etc., is called...
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Tandem mass spectrometry, also known as MS/MS or MS2, is an analytical technique that employs two mass analyzers. Essentially it is a series of mass spectrometers that helps isolate a particular biomolecule and then helps study its chemical properties.
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Sample Handling

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Transportation of samples from the collection point to the laboratory, as well as storage and preservation techniques, are crucial for maintaining sample integrity and ensuring accurate and reliable test results.
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Inductively coupled plasma–mass spectrometry (ICP–MS) is a highly selective and sensitive technique for accurate elemental analysis. Though the analysis of ICP–MS mass spectra is comparatively straightforward, it is affected by spectroscopic and non-spectroscopic interferences. Spectroscopic interferences arise when the plasma contains ionic species with an m/z value the same as the analyte ion. Spectroscopic interference can be categorized as isobaric, polyatomic ions, and...
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In inductively coupled plasma–mass spectrometry (ICP–MS), an inductively coupled plasma (ICP) torch is used as an atomizer and ionizer. Solid samples are dissolved and volatilized before being introduced into the high-temperature argon plasma, while solution samples are nebulized and passed through the high-temperature argon plasma. Plasma dissociates the analytes and ionizes their component atoms to form a mixture of positive ions and molecular species. The positive ions are then...
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Mass Spectrometry: Overview01:19

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Mass spectrometry is an analytical technique used to determine the molecular mass and molecular formula of a compound. The basic principle of mass spectrometry is to generate ions from the analyte molecule and measure these ion abundances against their molecular mass. One common type of ionization, known as electron ionization or EI, bombards the analyte molecules in the gas phase with high-energy electron beams. The electron beams displace an electron from the molecule and leave behind a...
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Rapid Generation of Tandem Mass Spectrometry Reference Libraries Using Immediate Drop-on-Demand Liquid Handling

Emily A Kurfman1, Vilmos Kertesz1, John F Cahill1

  • 1Biosciences Division, Oak Ridge National Laboratory, Oak Ridge, Tennessee 37831-6131, United States.

Journal of the American Society for Mass Spectrometry
|February 10, 2026
PubMed
Summary

Generating tandem mass spectrometry (MS2) fragmentation libraries for metabolomics is time-consuming. This study introduces a rapid, automated workflow using droplet-on-demand sampling for high-throughput MS2 library generation, significantly reducing acquisition time.

Keywords:
MS2librariesmetabolomicstandem MSthroughput

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Area of Science:

  • Analytical Chemistry
  • Metabolomics
  • Mass Spectrometry

Background:

  • Tandem mass spectrometry (MS2) fragmentation libraries are crucial for identifying unknown compounds in metabolomics.
  • Current methods for generating these libraries are time-consuming, requiring significant instrument and operator time.

Purpose of the Study:

  • To develop and validate an automated, high-throughput workflow for rapid MS2 library generation.
  • To reduce the time and resources required for creating comprehensive metabolomic spectral libraries.

Main Methods:

  • Utilized a droplet-on-demand/open port sampling interface for rapid MS2 data acquisition.
  • Implemented an automated workflow for controlling MS2 library generation in a 96-well plate format.
  • Acquired pure standard mass spectral libraries on Orbitrap and Q-TOF mass spectrometers.

Main Results:

  • Achieved high-throughput MS2 library generation with acquisition times of 4 s/spectrum (Orbitrap) and 7.8 s/spectrum (Q-TOF).
  • Successfully collected libraries for 192 compounds across 6 different collision energies.
  • Demonstrated library acquisition using various solvent additives, precursor adducts, and ion polarities.

Conclusions:

  • The developed automated workflow significantly accelerates MS2 library generation for metabolomics.
  • This high-throughput approach enables faster and more efficient identification of unknown metabolites.
  • The method is adaptable to different mass spectrometers and experimental conditions.