Food and Ingredients Analysis

Integrated Solutions for Food Authenticity, Characterization and Safety with the expression® Compact Mass Spectrometer, AVANT® (U)HPLC and SOLATION® ICP-MS 

Your integrated laboratory solution for comprehensive testing of food, ingredients and natural products. Advion offers a full suite of analytical instrumentation for characterization, screening and purity determination, including:

  • expression® CMS – The expression® Compact Mass Spectrometer (CMS) offers the industry’s widest range of sample introduction systems, providing rapid answers with little or no sample prep in < 30 seconds.
  • SOLATION® ICP-MS – Provides fast, simple, multi-element analysis of toxic metals, and essential elements and minerals in a wide array of samples, including water, soil, plant material, food and raw ingredients 
  • AVANT® HPLC & UHPLC – Advion’s range of modular high performance, liquid chromatography systems can be used standalone with UV and UV/Vis detector options, or with the expression® CMS to provide seamlessly integrated LC/CMS under the full control of Advion’s simple, intuitive software suite. 
  • PLATE EXPRESS® TLC PLATE READER – Plate Express® provides a simple, automated means of obtaining mass spectra directly from TLC plates, combined with Advion’s expression® CMS creating a technique known as TLC/ CMS. See results in < 30 seconds at the push of a button. 

Purdue University

Q: WHAT IS THE FOCUS OF YOUR LAB’S RESEARCH?

A: My research focuses on developing small molecule modulators to pharmacologically validate potential antibiotic, cancer, and chronic pain therapeutic targets.

Q: WHAT WAS YOUR PREVIOUS WORKFLOW AND SOME OF THE CHALLENGES YOU EXPERIENCED?

A: Purdue’s campus has not had easy access to walk-up mass spec instruments. To get reliable mass spec data for small molecules, one would typically have to submit a request to a central mass spec core. This was not conducive to reaction monitoring or small molecule characterization.

Q: WHY DID YOU INCORPORATE THE EXPRESSION® CMS INTO YOUR LABORATORY?

A: The university research office acknowledged this need and purchased three CMSL instruments with the Plate Express™ and ASAP® capability for walk-up mass spec at three locations on campus. This provided easy access to mass spec data to monitor reactions and characterize molecules. We have even confirmed covalent modification of a protein with a small molecule ligand using this instrument. I was so impressed with the user-friendly interface and instrument set up, that I applied for and received a grant to purchase a 4th instrument to be used in the undergraduate organic teaching lab in the course I teach. We have now incorporated this instrument into the workflow of lab modules for students to collect and analyze their own mass spec data. Something else that stuck out as a positive with Advion is that the data processing software, Data Express™, is free to download for any user. We can have our students analyze data off-site on their own computers. We look forward to incorporating this instrument into more organic lab modules and other courses.

Q: WHO WOULD YOU RECOMMEND TO PURCHASE THE EXPRESSION® CMS?

A: I recommend this instrument for both research labs and teaching labs. The ASAP® probe is especially convenient and easy to use for mass spec data.

Q: DO YOU HAVE ANY PUBLICATIONS OR PRESENTATIONS USING THE EXPRESSION® CMS?

A: Not yet, but we have one in review for my research, and another that will be written to publish the laboratory module in the Journal of Chemical Education.

Direct Analysis of Intact Proteins Using the Advion Touch Express™ Open Port Sampling Interface (OPSI) with the Advion expressionL Compact Mass Spectrometer

Introduction

Electrospray mass spectrometry (ESI-MS) is a versatile analytical tool for biomolecular protein analysis and proteomics. One important area is to study protein structure and composition in which peptides and proteins can be ionized with multiple charges via electrospray ionization. Based on the charge envelope, the molecular weight can be easily determined using manual or automated deconvolution.

Touch Express™ is a new sampling device for mass spectrometry analysis using a technique developed by Gary Van Berkel and Vilmos Kertesz of Oak Ridge National Laboratory1 — the Open Port Sample Interface (OPSI). The OPSI incorporates an open port of continuous, low-volume solvent, flowing directly into the electrospray ion source of the mass spectrometer. Analysis is carried out by simply touching a sample to this port. This fast, versatile sample inlet paired with the expression® Compact Mass Spectrometer (CMS) provides simple molecular weight determination of surfaces, solids and liquids.

Touch Express™ OPSI is a direct analysis method for peptide and protein identification, introduced into the Advion expression® CMS and ionized via the ESI source. The sample can be analyzed < 1 min, and the continuous flow of solvent by OPSI also saves chemists more time for their compound analysis without contamination issues when one system is shared by multiple users or when running back-to-back samples. The deconvolution feature implemented in Advion Data Express software can easily help chemist to predict uncharged mass of their target peptides or proteins based on their charge envelope. Three compounds: BSA, myoglobin (horse) and lysozyme, are used for demonstration.

Rapid Cannabinoid Testing Method for Cannabis Quality Control Using an Atmospheric Solids Analysis Probe Coupled with a Compact Mass Spectrometer (ASAP®-CMS)

Overview

A simple, sensitive and selective ASAP® sample introduction approach to measuring the presence of two isobaric compounds, CBDA and THCA, contained in a complex sample such as hemp or cannabis plants or their corresponding extraction products. Measurements are made of differences in the relative composition of CBDA and THCA fragment ions originating from the same precursor ion. Applicability to screening plants and plant product materials such as hemp or marijuana to monitor out-of-specification composition is demonstrated.

This poster was presented at the 2018 Cannabis Science Conference in Portland, OR.

Distinguishing Neurocysticercosis Epilepsy from Epilepsy of Unknown Etiology using a Minimal Serum Mass Profiling Platform

University of Oklahoma Health Science Center, Christian Medical College

Abstract

Minimally invasive and low-cost aids for diagnosing neurocysticercosis epilepsy could improve treatment of neurocysticercosis.

The goal of this study was to test the extent to which patients with neurocysticercosis epilepsy, epilepsy of unknown etiology, idiopathic headaches and among different types of neurocysticercosis lesions could be distinguished from each other based on serum mass profiling.

The results from this study suggest neurocysticercosis epilepsy can be distinguished from epilepsy of unknown etiology based on biomolecular differences in sera detected by mass profiling.

Samples were analyzed by ESI source on the Advion expression® Compact Mass Spectrometer (CMS) and the data analyze using the Advion Data Express software.

ETH, Laboratory of Organic Chemistry, Zurich, Switzerland

Q: WHAT IS THE FOCUS OF YOUR LAB’S RESEARCH?

A: Our laboratory focuses on the development of small molecules with functions that are fulfilled in nature by large macromolecules. We utilize the power of organic synthesis to access functionalities that nature might not have in the repertoire of building blocks. The focus is both on practical applications and an understanding of the properties on the molecular level. This scope includes the development of bioinspired asymmetric catalysts and functionalisable collagen, molecular scaffolds for applications in supramolecular and biological chemistry (e.g., cell-penetrating peptides and tumor targeting) and the controlled formation of metal nanoparticles.

Q: WHAT WAS YOUR PREVIOUS WORKFLOW OR CHALLENGES?

A: For the synthesis of building blocks and target molecules it is important to efficiently analyze and confirm their chemical structures. We routinely do this by, e.g., NMR spectroscopic analysis of the isolated and purified products. This involves the analysis of small molecules in our asymmetric catalysis projects as well as molecules with molecular weights of up to 2000 Da in our chemical biology and materials science projects. In particular for new reactions, fast and straightforward analysis methods for the newly formed compounds are important but challenging at the same time.

Q: WHY DID YOU INCORPORATE THE EXPRESSION® CMS INTO YOUR LABORATORY?

A: The expression® CMS allows us to efficiently analyze the mass of newly formed compounds in (almost) real time. We particularly value that the instrument allows us to monitor the reaction progress of crude mixtures. Separated on a TLC, products and potential side products can be identified, which results in an optimized and faster down-stream-processing, e.g. column chromatography, and only desired products are isolated on a preparative scale. Furthermore, the ASAP mode is very helpful and extremely fast, when looking for expected product masses, e.g. in the fractions of preparative HPLC separations – just dip it in and measure the MS… it takes 30 seconds per fraction. The possibility to easily switch between the ionization modes ESI and APCI as well to measure MS spectra in positive and negative mode in parallel is very helpful for a fast and reliable analysis.

Q: WHO WOULD YOU RECOMMEND TO PURCHASE THE EXPRESSION® CMS?

A:  We recommend the expression® CMS in combination with the TLC-Reader Plate Express™ to any group working in the field of synthetic organic chemistry. The reliable and fast identification of molecules is extremely helpful to monitor reactions, to identify the desired products and potential side products, and to simplify downstream processing.

Simple LC/MS Analysis of Carbohydrates

Introduction

There are many separation and detection methods that are available for the determination of saccharides. These include GC-MS with derivatization, HPLC-UV with derivatization, HPAEC-PAD (High-performance anion-exchange chromatography coupled with pulsed amperometric detection), and LC-MS. The availability of a sensitive and accurate method is still a challenge. For an LC-MS method, given the high polarity, hydrophilicity and low proton affinity of these compounds, it can be difficult to ionize them directly by electrospray by ESI or APCI. The chemical diversity and numerous isomers of carbohydrates further complicates their analysis with LC-MS.

In this Application Note, post-column chloride attachment is used for the analysis of samples containing carbohydrates using the Advion expression® Compact Mass spectrometer (CMS). The 35Cl and 37Cl isotopes also provide confirmation for the formation of the chloride adducts in negative ion APCI mode. Four carbohydrates (Fructose, Glucose, Sucrose and Lactose) are used for method verification.

Urinary Cortisol Quantitation Using Ultra High Pressure Liquid Chromatography/Compact Mass Spectrometry

Introduction

Cortisol is an important steroid hormone produced from cholesterol in the adrenal cortex. Its secretion is closely regulated by the Adrenocorticotropic hormone (ACTH). Most cortisol is protein-bound and only unbound cortisol is excreted in urine. The measurement of cortisol in urine is typically used to diagnosis of Cushing’s syndrome, a disorder of hypercortisolism.

Although immunoassay methods have extremely high sensitivity, they are subject to variable interferences from other steroids and their conjugates. Liquid chromatography with tandem mass spectrometry is used in clinical analysis because of its higher specificity and selectivity than immunoassay methods.

A simple and robust UHPLC/MS method using the Advion Interchim Scientific expression® Compact Mass Spectrometer (CMS) is introduced for urinary cortisol analysis and the dynamic range and sensitivity (LOD and LLOQ) of the UHPLC/CMS method will be evaluated.

Eberhard Karls University, Institute of Pharmaceutical Sciences, Tübingen, Germany

 

Q: WHAT IS THE FOCUS OF YOUR LAB’S RESEARCH?

A: We are a Medicinal Chemistry laboratory with a major focus on kinase inhibitors. Within the last decade, we have developed highly potent and selective chemical probes such as Skepinone L, a specific p38 MAP kinase inhibitor suitable for in vivo use. Our strategies involve the reversible targeting of kinases via ATP-competitive type I or less competitive type II inhibitors as well as intermediate type 11/2 inhibitors. More recently, we turned towards covalent kinase targeting by addressing non-catalytic cysteines. This strategy furnished excellent probes for JNK3 and JAK3. For example, we developed FM-381, an extremely isoform-selective JAK3 inhibitor, which is now available as a high-quality probe from the Chemical Probes Portal and the chemical probes program of the Structural Genomics Consortium.

Q: WHAT WAS YOUR PREVIOUS WORK EXPERIENCE?

A: Since our work mainly relies on organic synthesis, we have an urgent need for accurate and rapid characterization of novel compounds. While our group owns two NMR spectrometers and several HPLC systems, mass spectrometry was usually done at a shared service unit, which caused additional costs and delays. Although we were also equipped with several LC-MS devices, these were routinely used for biological samples or metabolism studies, thus adapting the workflows for chemical samples was always tedious. Consequently, a more practical solution was required.

Q: WHY DID YOU INCORPORATE THE EXPRESSION CMS INTO YOUR LABORATORY?

A: As mentioned, mass spectrometry was one of the bottlenecks in our synthesis endeavors. The purchase of an LC-MS system exclusively for reaction monitoring and compound analysis would have been an option. However, especially when dealing with crude mixtures, LC-MS devices are typically quite vulnerable and require a lot of maintenance. Moreover, if you do not have a UPLC system, LC-MS runs are time-consuming, limiting the number of samples to a maximum of a few dozens a day, which is a serious problem with respect to the size of our group.

Therefore, Advion’s expression CMS in combination with the Plate Express™ TLC plate reader was the perfect solution for us. It is easy to use, quite robust, offers a high throughput, and is suitable for almost the entire mass range of our compounds. Needless to say, the device is especially suited for reaction monitoring and the rapid assignment of product fractions from column chromatography.

Q: TO WHOM WOULD YOU RECOMMEND THE EXPRESSION CMS?

A: The expression CMS/Plate Express™ couple can be recommended to Organic or Medicinal Chemistry groups in general since it seamlessly integrates into organic synthesis workflows. Due to the affordable pricing, it is also a great solution for chemists in academia. Especially laboratories with high turnover of masters students and research interns will appreciate the robustness of the system.

Toluene-Assisted APCI and Elemental Composition Prediction Using a Compact Mass Spectrometer

OVERVIEW

  • Toluene-assisted APCI (TAPCI) can generate (M)+· and (M+H)+ ions from analytes that cannot be ionized by ESI or APCI.
  • Elemental formula prediction at 250 ppm accuracy and isotope distribution matching by TAMI (Tal Aviv Molecule Identifier) supports analyte identification.
  • Combining both TAPCI and TAMI on the expression compact mass spectrometer (CMS) provides a cost-effective analysis platform for a wide range of compounds.

INTRODUCTION

Many compounds in organic synthetic chemistry either have no functional group, a C=O carbonyl group, or protected functional groups and are difficult to ionize by ESI or APCI for detection by mass spectrometry. TAPCI has been shown to ionize compounds to (M)+· and (M+H)+ protonated molecules not accessible by ESI or APCI MS analysis. The ionization is believed to include a charge transfer reaction in the APCI plasma region of the source. Elemental formula prediction using TAMI allows analyte identification on a single quadrupole mass spectrometer with mass accuracy in the 250 ppm range, isotope pattern analysis and auto comparison to NIST databases. Here, we investigate the use of both techniques on the expression CMS as an attractive and cost-effective solution for analyte identification covering an increased compound space.