Mass spectrometric techniques are typically divided into two distinct fields: atomic and molecular. Liquid sampling – atmospheric pressure glow discharge (LS-APGD) has been developed as a versatile ionization source capable of combined atomic and molecular (CAM) analysis. To date, the LS-APGD has demonstrated impressive results in U isotope ratio analysis as well as molecular analysis across a wide range of instrument platforms.1-3 While molecular sampling has been demonstrated on this source, these samples fall into the realm of ESI-type samples, larger, polar compounds, most commonly LC-relevant drug targets. Presented here will be the demonstration of the wider versatility of the LS-APGD as a CAM ionization source using the Advion expression Compact Mass Spectrometer (CMS).
Authors: Tyler Williams1, Jacob R. Bills1, Jamey Jones2, and R. Kenneth Marcus1 1Clemson University, Department of Chemistry, Clemson, SC 29634 2Advion Inc, Ithaca, NY 14850
This poster was presented at the ASMS 2020 Reboot.
Dr. Jack Henion presents the possibility of using the Advion Interchim Scientific expression® Compact Mass Spectrometer (CMS) for ‘roadside breath testing’ of THC DRUID (driving under the influence of drugs) with the use of a small plastic breath collection device from Breath Explor of Uppsala, Sweden. This device serves as a simple, acceptable collection device for individuals in contrast to venous puncture with a needle or other means of collecting a biological sample.
In this ASMS 2020 Reboot presentation, you will learn:
Breath sample collection with the Breath Explor device
The potential benefits and challenges of a roadside LC/CMS testing system including an automated robot for sample preparation with the Advion Interchim Scientific expression® CMS and Advion Interchim Scientific AVANT UHPLC
The Advion LC/CMS system provides accurate and sensitive results when used to analyze breath samples for THC
Authors: Olof Beck2, Jack Henion1, Sabina Seferaj2, Peter Stamback3 1Advion, Inc., Ithaca, NY 2Karolinska Institute, Stockholm, Sweden 3Breath Explore, Munkplast AB, Uppsala, Sweden
Patulin is a mycotoxin that is a common contaminant in food and animal feed, especially in apple products. The potential health risk of patulin to humans led to the establishment of action levels in foodstuffs.
The EU, WHO and US FDA defined maximum levels of patulin in fruit juices. The EU also has specific regulations for solid apple products and foods intended for infants and young children such as apple compote.
In this application note, a simple UHPLC/CMS method using the Advion Interchim Scientific AVANT® UHPLC and expression® Compact Mass Spectrometer (CMS) system is introduced for the analysis of patulin in apple juice and apple compotes.
The research presented in this application note was a poster presentation for ASMS 2020 Reboot.
Patulin is a mycotoxin that is a common contaminant in food and animal feed, especially in apple products.The potential health risk of patulin to humans led to the establishment of action levels in foodstuffs.
The EU, WHO and US FDA defined maximum levels of patulin in fruit juices. The EU also has specific regulations for solid apple products and foods intended for infants and young children such as apple compote.
In this poster, a simple UHPLC/CMS method using the Advion AVANT UHPLC and expression Compact Mass Spectrometer (CMS) system is introduced for the analysis of patulin in apple juice and apple compotes.
This poster was presented at the ASMS 2020 Reboot.
The compound synthesis, purification and confirmation process often presents challenges throughout. From ensuring successful synthesis of your product, setting up a flash purification method, and finally confirming ID of fractions, the lengthy work flow can be time consuming and repetitive.
In this application note, we demonstrate how the combination of Advion Interchim Scientific technologies speed up the synthesis, purification and characterization of a compound.
This series features the Advion Interchim Scientific expression® Compact Mass Spectrometer (CMS), the Plate Express™ TLC Plate Reader, the Atmospheric Solids Analysis Probe (ASAP®), and the puriFlash® XS520 flash purification system.
The LS-APGD microplasma has shown potential as a combined atomic and molecular (CAM) ionization source, though to this point it has been solely interfaced with large, laboratory-scale instruments. There are many instances wherein reduced-format, lower operating overhead, analyzers are appropriate. To this end, the LS-APGD has been coupled with an Advion expressionL Compact Mass Spectrometry (CMS) for the analysis of diverse samples. This instrument has been previously travel hardened in accordance to MIL-SPEC-810, demonstrating its suitability for in-field analysis. The coupling of the LS-APGD to this instrument expands its capability for diverse analyses, with early-stage figures of merit presented here. With this new coupling, a thorough optimization of both the instrument ion optics and the LS-APGD operating parameters was necessary as this platform does not have a direct method for collisional dissociation of potentially-deleterious molecular species. Under the optimized conditions, analytical response curves were constructed for Na, Rb, Cs, and Tl, demonstrating detection limits between 17.6–146 ng mL−1 (single ng, absolute). Furthermore, CAM sampling capabilities can be realized upon changing from a 2% HNO3 to a 70 : 30 MeOH : H2O solvent system, providing molecular-level chemical information readily obtained from atomic ionization sources such as the inductively coupled plasma (ICP-MS). Here detection limits between 1–32 nM (single pg, absolute) were obtained for caffeine, acetaminophen, Δ9-tetrahydrocannabidiol, sulfadimethoxine, terfenadine, and reserpine. The unique features of the CAM ionization source on this flexible MS platform hold promise for many operation environments.
In this application note, the Advion Interchim Scientific expression® Compact Mass Spectrometer (CMS) with volatile APCI (vAPCI) is used to analyze volatile compounds present during the fermentation of homebrewed beer by Stephanie Rankin Turner of Loughborough University.
The complex flavor of beer is primarily a result of the ingredients used, the brewing method, and conditions during fermentation. The analysis of beer throughout this process can be invaluable. Being one of the most widely consumed beverages worldwide, rapid and reliable analytical techniques are essential to keep up with demand and production.
This note demonstrates the use of the Advion Interchim Scientific expression® CMS with vAPCI for the analysis of volatile compounds from the headspace of homebrew beer and hops. The Venturi-assisted interface of the instrument enabled rapid sampling of volatiles, allowing the changing volatile profile of the homebrew to be observed throughout the fermentation process. This simple method would be suitable for fast quality control during alcoholic beverage production.
Benzo[d]thiazole is widely used in synthetic and medicinal chemistry, and it is a component of many compounds and drugs that have several different bioactivities. Herein, we describe an elegant pathway for synthesis of methyl 4- and 5-hydroxy-2-amino-benzo[d]thiazole-6-carboxylates as building blocks that can be substituted at four different positions on the bicycle and thus offer the possibility to thoroughly explore the chemical space around the molecule studied as a ligand for the chosen target. A series of 12 new compounds was prepared using the described methods and Williamson ether synthesis.
The Advion Interchim Scientific suite of systems and consumables allows users to harness the power of mass spectrometry, flash chromatography, prep LC and more. Simple and robust, download our brochure to learn more about:
The Advion Interchim Scientific expression® compact mass spectrometer (CMS): A fast and easy analytical tool for the organic chemist. Ideal for fast reaction monitoring, the expression® CMS features a single quadrupole that can adapt to multiple ionization sources in seconds, including both ESI and APCI. The expression® CMS offers a variety of novel sampling techniques, including fast assay methods for liquids, solids, gases, and even air-sensitive compounds.
Direct mass analysis of TLC plates in 30 seconds at the push of a button with Plate Express™
One-touch analysis of solids and liquid samples with the ASAP® probe
LC/CMS
puriFlash® ultra performance flash purification: Ideal for method development and purification of rare and high added value compounds, the Interchim family of puriFlash® systems offer users a wide range of throughput options and the highest recovery rates at >95%.
Mass-Guided Purification: the Interchim puriFlash® + Advion CMS offers the ideal solution for Flash-MS, and can provide fraction identification in <30 seconds.
Fill out the form to download the full Advion Interchim Scientific brochure now.
The discovery of chemical reactions is an inherently unpredictable and time-consuming process. An attractive alternative is to predict reactivity, although relevant approaches, such as computer-aided reaction design, are still in their infancy. Reaction prediction based on high-level quantum chemical methods is complex, even for simple molecules. Although machine learning is powerful for data analysis, its applications in chemistry are still being developed6. Inspired by strategies based on chemists’ intuition, we propose that a reaction system controlled by a machine learning algorithm may be able to explore the space of chemical reactions quickly, especially if trained by an expert. Here we present an organic synthesis robot that can perform chemical reactions and analysis faster than they can be performed manually, as well as predict the reactivity of possible reagent combinations after conducting a small number of experiments, thus effectively navigating chemical reaction space. By using machine learning for decision making, enabled by binary encoding of the chemical inputs, the reactions can be assessed in real time using nuclear magnetic resonance and infrared spectroscopy.
