A four dimensional separation method based on continuous heart-cutting gas chromatography with ion mobility and high resolution mass spectrometry

Lipok, Christian; Hippler, Jörg; Schmitz, Oliver J.

doi:10.1016/j.chroma.2017.07.013

Cited by 31 publications

(27 citation statements)

References 20 publications

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“…This increases the peak capacity dramatically and allows for the detection of more substances. Although methods like GC×GC [27] and LC×LC [28] are gaining more attention, they are mostly used by specialist laboratories. While the use of RT in GC has been standardized, e.g., by the use of the Kovats index; in contrast, LC–MS shows much higher variation.…”

Section: Separation Techniques In Metabolomicsmentioning

confidence: 99%

Current status of retention time prediction in metabolite identification

Witting

Böcker

2020

J of Separation Science

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Metabolite identification is a crucial step in nontargeted metabolomics, but also represents one of its current bottlenecks. Accurate identifications are required for correct biological interpretation. To date, annotation and identification are usually based on the use of accurate mass search or tandem mass spectrometry analysis, but neglect orthogonal information such as retention times obtained by chromatographic separation. While several tools are available for the analysis and prediction of tandem mass spectrometry data, prediction of retention times for metabolite identification are not widespread. Here, we review the current state of retention time prediction in liquid chromatography-mass spectrometry-based metabolomics, with a focus on publications published after 2010. K E Y W O R D Sliquid chromatography, mass spectrometry, metabolite identification, metabolomics, retention time prediction 1746www.jss-journal.com

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Section: Separation Techniques In Metabolomicsmentioning

confidence: 99%

Current status of retention time prediction in metabolite identification

Witting

Böcker

2020

J of Separation Science

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“…The strategy employed herein, is to utilise CCS searchable data bases which was initially illustrated by Goscinny and coworkers and McCullagh and coworkers for pesticides and veterinary drugs analysis . The use of CCS data bases continues to increase and have been developed across multiple areas of research, including mycotoxins, metabolism, steroids, steviosides and direct analysis of isomers …”

Section: Introductionmentioning

confidence: 99%

Use of ion mobility mass spectrometry to enhance cumulative analytical specificity and separation to profile 6‐C/8‐C‐glycosylflavone critical isomer pairs and known–unknowns in medicinal plants

McCullagh

Pereira

Yariwake

2019

Phytochemical Analysis

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Introduction Plant medicine/herbal extracts are typically complex, encompassing a wide range of flavonoid diversity and biological benefits. Combined with a lack of standards; species authentication profiling is a challenge. A non‐targeted screening strategy using two‐dimensional (2D) separation and specificity of ultra‐high‐performance liquid chromatography ion mobility collision‐induced dissociation mass spectrometry (UHPLC‐IM‐CID‐MS) has been investigated, to identify the 6‐C and 8‐C‐glycosylflavone isomer orientin/isoorientin and vitexin/isovitexin pairs in Passiflora species. Utilising available standards and “known–unknowns” a reference CCS (collision cross‐section) speciation finger print for Passiflora extracts could be generated to illustrate species profiling. Material and Methods SPE was performed to extract flavonoids of interest from powdered and ground Passiflora leaf. Chromatographic separation was achieved via UHPLC and analysis performed using positive/negative ion electrospray coupled with linear T‐wave IM‐MS (calibrated to perform accurate mass and CCS measurements). Results Comparative phytochemical screening of Passiflora alata, P. edulis, P. incarnata and P. caerulea leaf extracts has generated CCS, CID IM product ion spectra, 2D separation with UHPLC‐IM‐MS, enabling the unequivocal identification of flavone C‐glycosides in complex extracts. A phytochemical reference CCS library was generated comprised of “knowns” and “known–unknowns”. Isomers have been differentiated using a CCS metric enabling novel CCS specific isomeric quantitation of co‐eluting isomers. Conclusions The screening approach illustrated has the potential to play an important role in the profiling of medicinal plants to determine phytochemical make‐up and improve consumer safety through generation of highly specific speciation profiles.

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“…While IMS alone has great potential for applications requiring portable analysis, IM–MS and LC–IM–MS have excellent potential to be used for lab‐based screening workflows, particularly for trace analysis in complex samples. The group of Schmitz has recently demonstrated a powerful approach by combining two online separation methods (LC+LC or GC+GC) with DTIMS–MS . Complex wastewater samples were successfully screened using an in‐house CCS database with excellent repeatability of CCS and mass spectra, while their more recent study used GC+GC with atmospheric pressure chemical ionization for the screening of various compounds, including pesticides.…”

Section: Application Of Ion Mobility Spectrometry To the Analysis Of mentioning

confidence: 99%

Adding a new separation dimension to MS and LC–MS: What is the utility of ion mobility spectrometry?

D’Atri

Causon

Hernandez‐Alba

et al. 2017

J of Separation Science

150

142

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* These authors contributed equally.Ion mobility spectrometry is an analytical technique known for more than 100 years, which entails separating ions in the gas phase based on their size, shape, and charge. While ion mobility spectrometry alone can be useful for some applications (mostly security analysis for detecting certain classes of narcotics and explosives), it becomes even more powerful in combination with mass spectrometry and high-performance liquid chromatography. Indeed, the limited resolving power of ion mobility spectrometry alone can be tackled when combining this analytical strategy with mass spectrometry or liquid chromatography with mass spectrometry. Over the last few years, the hyphenation of ion mobility spectrometry to mass spectrometry or liquid chromatography with mass spectrometry has attracted more and more interest, with significant progresses in both technical advances and pioneering applications. This review describes the theoretical background, available technologies, and future capabilities of these techniques. It also highlights a wide range of applications, from small molecules (natural products,

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A four dimensional separation method based on continuous heart-cutting gas chromatography with ion mobility and high resolution mass spectrometry

Cited by 31 publications

References 20 publications

Current status of retention time prediction in metabolite identification

Current status of retention time prediction in metabolite identification

Use of ion mobility mass spectrometry to enhance cumulative analytical specificity and separation to profile 6‐C/8‐C‐glycosylflavone critical isomer pairs and known–unknowns in medicinal plants

Adding a new separation dimension to MS and LC–MS: What is the utility of ion mobility spectrometry?

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