Related Experiment Video
Updated: Feb 28, 2026
08:40
Using a Cyclic Ion Mobility Spectrometer for Tandem Ion Mobility Experiments
Published on: January 20, 2022
4.9K
Molecular identification in metabolomics using infrared ion spectroscopy
Jonathan Martens1, Giel Berden1, Rianne E van Outersterp1
1Radboud University, Institute for Molecules and Materials, FELIX Laboratory, Toernooiveld 7c, 6525ED, Nijmegen, The Netherlands.
Scientific Reports
|June 15, 2017
Summary
This study uses infrared ion spectroscopy to distinguish between enantiomeric N-acetylhexosamines in body fluids. This method offers unique molecular identification beyond standard mass spectrometry techniques.
Area of Science:
- Analytical Chemistry
- Biochemistry
- Spectroscopy
Background:
- Small molecule identification is crucial in analytical sciences, particularly metabolomics.
- Distinguishing enantiomers presents a significant analytical challenge.
- Current methods like liquid chromatography/mass spectrometry have limitations in chiral identification.
Purpose of the Study:
- To develop and demonstrate a novel method for differentiating enantiomeric N-acetylhexosamines.
- To showcase the capabilities of infrared ion spectroscopy in complex biological samples.
- To provide an orthogonal identification technique for small molecules.
Main Methods:
- Utilized infrared ion spectroscopy for molecular analysis.
- Applied the technique to identify enantiomeric N-acetylhexosamines in body fluid samples.
- Compared results with standard liquid chromatography/high-resolution tandem mass spectrometry.
Main Results:
- Successfully and unequivocally differentiated enantiomeric N-acetylhexosamines.
- Demonstrated that infrared ion spectroscopy provides structural information not available through standard mass spectrometry.
- Confirmed the applicability of the technique in complex biological matrices.
Conclusions:
- Infrared ion spectroscopy is a powerful tool for small molecule identification.
- The method offers orthogonal structural information, complementing existing techniques.
- This approach has significant potential for applications in metabolomics and other bioanalytical fields.
More Related Videos
11:05High-definition Fourier Transform Infrared FT-IR Spectroscopic Imaging of Human Tissue Sections towards Improving Pathology
Published on: January 21, 2015
34.0K
07:34Large Scale Non-targeted Metabolomic Profiling of Serum by Ultra Performance Liquid Chromatography-Mass Spectrometry UPLC-MS
Published on: March 14, 2013
13.5K
Related Concept Videos
01:09Infrared (IR) Spectroscopy: Overview
5.6K
When electromagnetic radiation passes through a material, atoms or molecules transition from a lower to a higher energy state by absorbing radiation corresponding to the energy difference between the two states. The absorption of infrared (IR) radiation causes transitions between vibrational energy levels in a molecule. Therefore, IR spectroscopy is a useful analytical tool for determining the molecular structure of molecules.
Different compounds display unique properties due to their...
Different compounds display unique properties due to their...
5.6K
01:03IR Frequency Region: Fingerprint Region
2.1K
IR spectra are divided into two main regions: the diagnostic region and the fingerprint region. The diagnostic region of the spectrum lies above 1500 cm−1. The absorptions resulting from single-bond vibrations of the N–H, C–H, and O–H stretch at higher wavenumbers and appear on the left side of the spectrum. The stretching absorptions of the C≡C and C≡N occur between 2100–2300 cm−1. In contrast, those arising from stretching absorptions of the...
2.1K
01:24Mass Spectrum: Interpretation
3.6K
An unknown compound can be established by identifying the molecular ion peak in the mass spectrum. The molecular ion peak is often weak or absent due to the predominance of fragmentation in high-energy electron beams. In such cases, a soft-energy electron beam can be used to scan the spectrum to enhance the intensity of the molecular ion peak. Additionally, chemical ionization, field ionization, and desorption ionization spectra are used to obtain a relatively intense molecular ion peak.To...
3.6K
01:11Applications of IR Spectroscopy: Overview
2.5K
The non-destructive nature and ability to provide valuable chemical information make IR spectroscopy a versatile technique with broad applications in various scientific and industrial fields. IR spectroscopy is commonly used to identify and characterize organic and inorganic compounds. It provides information about the functional groups present in a molecule and the bonding between atoms. This helps in the structural elucidation of compounds during organic synthesis, pharmaceutical research,...
2.5K
01:24IR Spectroscopy: Molecular Vibration Overview
5.1K
When Infrared (IR) radiation passes through a covalently bonded molecule, the bonds transition from lower to higher vibrational levels. The fundamental vibrational motions that result in infrared absorption can be classified as stretching or bending vibrations.
Stretching vibrations are vibrational motions that occur along the bond line, changing the bond length or distance between two bonded atoms. They are further distinguished as symmetric or asymmetric. In symmetric stretching, the...
Stretching vibrations are vibrational motions that occur along the bond line, changing the bond length or distance between two bonded atoms. They are further distinguished as symmetric or asymmetric. In symmetric stretching, the...
5.1K
01:19IR Spectrum
2.6K
When infrared (IR) radiation passes through a molecule, the bonds stretch or bend by absorbing the radiation. This absorption creates the molecule's absorption spectrum, which is the plot of its percentage transmittance versus wavenumber.
Transmittance is defined as the ratio of the radiant power passing through a sample to that from the radiation's source. Multiplying the transmittance by 100 gives the percent transmittance (%T), which varies between 100% (no absorption) and 0%...
Transmittance is defined as the ratio of the radiant power passing through a sample to that from the radiation's source. Multiplying the transmittance by 100 gives the percent transmittance (%T), which varies between 100% (no absorption) and 0%...
2.6K