Peak Express: Software for the Synthetic Organic Chemist

Introducing a new type of mass spectrum, available exclusively in the Advion Peak Express software suite: the Delta Spectrum (ΔS). The ΔS is available with the expression® compact mass spectrometer (CMS) to look beyond chemical noise and automatically detect even the smallest peaks without knowing the m/z in advance.

With the Peak Express™ software featuring ΔS, you can:

  • Obtain clear detection of peaks without knowing their mass
  • Find adducts, dimers, fragments, side-reactions and other unexpected compounds at the click of a button, in real-time or with post-processing
  • Highlight minor components in complex mixtures and dirty matrices
  • Control mass-directed purification without providing the compound mass
  • Acquire XIC-quality data while scanning the entire mass range, allowing Peak Express to tell you the m/z

Advion Interchim Scientific’s AVANT® HPLC & UHPLC systems, providing simple, high-performance LC/CMS with the expression® CMS

Advion Interchim Scientific’s range of AVANT®, high performance, liquid chromatography systems can be used standalone with UV and UV/Vis detector options, or with the expression® compact mass spectrometer to provide seamlessly integrated LC/CMS under the full control of Advion Interchim Scientific’s simple, intuitive Mass Express software suite.

Modular, stackable design, with many options, provides custom solutions for both HPLC and UHPLC needs. From the simplest manual injection HPLC to a fully automated, streamlined UHPLC system and everything in-between, the AVANT® series can be configured to fit your analytical requirements and your budget.

Mass Spectrometry for Chemists: Direct Analysis of TLC Plates, Solids and Gases

TLC/CMS, the atmospheric liquids and solids probe (ASAP), and the volatile APCI source provide direct analysis without sample preparation – even for air-sensitive compounds.

With the daily need to analyze a variety of samples, these techniques are indispensable in a busy lab.

Learn how a single instrument can be adapted to each of these sample requirements and rapidly changed to accommodate back-to-back assays. Listen to users in the field speak about the innovative sample inlets that have cut down on sample prep and streamlined their everyday work flow.

During this webinar you will:

  • Learn how the CMS offers real-time results and decision making right at the bench. This allows chemists to optimize reactions, know when to quench, and know when they have failed and to move on
  • Learn several novel sample techniques that can streamline workflow in your lab
  • Find fast analysis methods for liquids, solids and vapor-phase compounds

Hear from leaders in mass spectrometry including:

  • Dr. Jack Henion, Advion Scientific Founder
  • Matthew Turner, Experimental Officer in Mass Spectrometry, Department of Chemistry, Loughborough University
  • Tao Yongfeng, Post Doctorate, The Romo Group, Baylor University
  • Sean M. Kerwin, PhD, Associate Professor, Department of Chemistry & Biochemistry, Texas State University

A metabolite profiling method for diagnosis of precancerous cervical lesions and HPV persistence

The data collected from the analysis on the portable Advion CMS were treated in exactly the same way as the data collected from the Waters LCT and although the mass resolution and sensitivity of the two instruments is different the same clustering patterns were seen in the PCA scores plots. The PCA loadings plots also showed the same patterns with the same major 385.4 mass bin responsible for the separation of the classes seen in the scores plots.

The findings are important because they suggest that metabolite profiling could offer an accurate, and time-effective tool for identifying women at increased risk of HPV persistence. Current screening for cervical cancer risk relies, as a first step, on a cytological assessment which can be difficult to classify at the low-grade end of cervical cell abnormality and currently there is no screening tool for predicting HPV persistence. Metabolite profiling therefore has the potential to improve existing screening methods for cell abnormality and to supplement information about HPV positivity; the critically important risk factor for cervical cancer.

From Bioanalysis, Published May 2017

Real-time monitoring of exhaled volatiles using atmospheric pressure chemical ionization on a compact mass spectrometer

Aim: Breath analyses have potential to detect early signs of disease onset. Ambient ionization allows direct combination of breath gases with MS for fast, on-line analysis. Portable MS systems would facilitate field/clinic-based breath analyses.

Results & methodology: Volunteers ingested peppermint oil capsules and exhaled volatile compounds were monitored over 10 h using a compact mass spectrometer. A rise and fall in exhaled menthone was observed, peaking at 60–120 min. Real-time analysis showed a gradual rise in exhaled menthone postingestion. Sensitivity was comparable to established methods, with detection in the parts per trillion range.

Conclusion: Breath volatiles were readily analyzed on a portable mass spectrometer through a simple inlet modification. Induced changes in exhaled profiles were detectable with high sensitivity and measurable in real-time.

From Bioanalysis, Published June 2016

Synthesis and full characterization of an iridium B–H activation intermediate of the monocarba-closo-dodecaborate anion

The preparation and full characterization of an iridium complex of the monocarba-closo-dodecaborate anion is reported. It was prepared by B–H bond activation using a tosyl amide directing group.

Analysis by spectroscopic methods and X-ray crystallography revealed the presence a direct B–Ir interaction. The carborane acts as aB,N chelating ligand towards the Ir(Cp*)(solvent) fragment, resulting in a monomeric complex that is inert in solution and the solid state.

Treatment with N-chlorosuccinimide resulted in selective monochlorination of the B–Ir position. In addition, its structure, spectroscopic features and reactivity were investigated by DFT calculations.

University of Cambridge, Ley Group

Q: WHAT IS THE FOCUS OF YOUR LAB’S RESEARCH?
A: One of the focus points for Ley Group research is the development of continuous flow synthesis methods. We aim to include new enabling techniques into our work to facilitate the collection of data relevant to the reactions we conduct. We work across the early synthesis spectrum – from discovery to scale-up and process development.

Q: WHAT WAS YOUR PREVIOUS WORKFLOW AND EXPERIENCED CHALLENGES? 

A: Standard detectors we use in our work can be problematic when trying to discern what is in a product mixture leaving a flow reactor. For example, UV detectors are useful only in very restricted flow-based situations and don’t give compositional information. IR is a step up from this, but suffers from issues when peaks in starting materials, products and by-products overlap. Some transformations may also lead to undetectable changes in an IR spectrum. While flow-based NMR can be good when it’s usable, its expense and lack of resolution at a bench-top level hinder its utility.

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

A: The expression® CMS struck the perfect balance between cost, ease-of-use and detection capabilities that we needed for our research. We’re able to get large amounts of relevant information about reaction mixtures, in real-time, without worrying in most cases about overlapping peaks or detection signals. This information is used by our control systems to make decisions about product stream composition, allowing us to automate procedures such as reaction telescoping, process start up and self-optimization. The expression® CMS software is fantastic also – everything is recorded, letting us go back over the raw data to gain even more insights into how product compositions change over time in our processes.

Q: TO WHOM WOULD YOU RECOMMEND THE EXPRESSION® CMS? 

A: I would recommend the system to any group that works with continuous flow chemistry, especially those that need real-time analysis of stream compositions. The ease at which the unit can be integrated into any process makes it an extremely attractive unit to use. It’s also very easy to switch the expression® CMS into a standalone MS unit for independent sample analysis, making it versatile in any organic chemistry laboratory.

Q: HAVE YOU CONTRIBUTED TO ANY PUBLICATIONS USING THE EXPRESSION® CMS?

A: Org. Process Res. Dev., 2016, 20, 386–394