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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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Tandem mass spectrometry is a technique that uses multiple mass analyzers in series to obtain a higher selectivity and signal-to-noise ratio for the analyte. Instruments with multiple analyzers separated by an interaction cell enable secondary fragmentation and selected study of the fragment ions.
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Mass spectrometry is an important technique for the identification of pure compounds. However, it has some limitations for the analysis of complex mixtures, often due to excessive fragmentation making the spectrum too complicated to decipher. Mass spectrometry can be combined with suitable separation methods in sequence, forming hyphenated methods, which are useful in the analysis of complex mixtures.
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Inductively coupled plasma (ICP) is the common plasma source used in atomic emission spectroscopy (AES), a technique that detects and analyzes various elements in a sample. This method is often called inductively coupled plasma atomic emission spectroscopy (ICP-AES).
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Summary
This summary is machine-generated.

Achieving comparable molecular profiles between different Fourier transform ion cyclotron resonance mass spectrometry (FT-ICR MS) instruments is crucial for data consistency. This study shows that careful instrument adjustment enables high spectral overlap and reliable data, even with diverse FT-ICR MS systems.

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Area of Science:

  • Analytical Chemistry
  • Mass Spectrometry
  • Environmental Science

Background:

  • Fourier transform ion cyclotron resonance mass spectrometry (FT-ICR MS) instruments have long operational lifespans but evolving designs.
  • Variability in compositional spectra comparability is a critical concern, especially with direct infusion methods.
  • Ensuring data consistency across different generations and models of FT-ICR MS is essential for long-term research.

Purpose of the Study:

  • To demonstrate interlaboratory comparability of FT-ICR MS molecular profiles using different instrument models.
  • To assess the impact of advanced cell technologies (Infinity Cell and ParaCell) on spectral data quality.
  • To validate the reliability of molecular profiling for complex samples across diverse FT-ICR MS platforms.

Main Methods:

  • Utilized a 12 T solariX (Infinity Cell) and a 7 T scimaX (ParaCell) FT-ICR MS.
  • Employed closely matched sample introduction and ion guide systems.
  • Analyzed analytically challenging pet food samples and performed unsupervised multivariate analysis (PCA).

Main Results:

  • Achieved similar instrument performance metrics (resolving power, mass error, feature count, S/N ratios, m/z distribution).
  • Observed high spectral overlap (up to 78%, 95% for high-intensity features) and similar relative abundances.
  • ParaCell demonstrated reduced space-charge interferences, obviating specialized calibration methods.
  • PCA revealed consistent sample profiles with no systematic bias across instruments.

Conclusions:

  • Careful instrument adjustment enables molecular profile comparability between different FT-ICR MS systems.
  • High spectral overlap and consistent data quality are achievable, supporting the use of extensive databases.
  • This comparability ensures the continued relevance of data from long-term and collaborative FT-ICR MS projects.