News from LabRulezLCMS Library - Week 42, 2024

Our Library never stops expanding. What are the most recent contributions to LabRulezLCMS Library in the week of 7th October 2024? Check out new documents from the field of liquid phase, especially HPLC and LC/MS techniques!

👉 SEARCH THE LARGEST REPOSITORY OF DOCUMENTS ABOUT LCMS AND RELATED TECHNIQUES

👉 Need info about different analytical techniques? Peek into LabRulezGCMS or LabRulezICPMS libraries.

This week we bring to you posters, presentations, applications, and other documents by Thermo Fisher Scientific, Agilent Technologies, Shimadzu, Waters Corporation, and James Little Mass Spec Interpretation Services!

1. James Little Mass Spec Interpretation Services: Using Agilent MassHunter to Perform NIST MSMS Search

• Presentation

Contents

• Overview of Process
• Results for Pesticide Checkout Test Mix Tandem MSMS File Targeted Positive Ion TOF MS Extracted Spectra Averaged (10, 20, 40 V)
• Typical MS Search v.3.0 (2023) Settings for This Data Evaluation
• Library Search Options for This MSMS Search v.3.0 (2023)
• Other Settings in This NIST MSMS Search v.3.0 (2023)
• Other Settings for NIST23 MS Search 3.0 (Tandem Mode)
• Sorting of the MSMS Search Results v.3.0 (2023)
• Important!! Save Your Settings for Future Sessions!!
• Libraries Typically Searched in My Work NIST v.3.0 (2023)

2. Agilent Technologies: HPLC Made for Tomorrow - Agilent InfinityLab LC Series (Agilent Infinity III)

• Brochure

Efficient and Reliable Solutions for Any Budget

Agilent InfinityLab LC Solutions provide the broadest range of liquid chromatography options for any application and budget. With perfectly matched instruments, columns, and supplies, you can trust in their rugged quality and robust results. The InfinityLab family is designed to work together to improve your workflow, increase efficiency, and reduce operational costs.

Table of Contents

• Benefits Overview - Unlocking advantages: Your benefits with InfinityLab LC Solutions
• 1290 Infinity III LC System - Benefit from ultimate separation power
• 1260 Infinity III LC System - Empower your routine analysis
• 1220 Infinity II LC System - Discover a compact solution for reliable results
• Application Examples - Outstanding performance across all application fields
• Software - Software solutions to make your analysis faster, easier, and more productive
• Columns and Supplies - Perform rugged, fast LC with confidence
• CrossLab Services - Focus on what you do best
• Selection Guide - InfinityLab analytical LC modules for your laboratory’s requirement
• Application‐Specific Solutions - Tailored solutions for your unique needs

3. Shimadzu (AOAC): Development of a high-resolution MRM quantitative method for pesticides in apple, honey, olive oil, orange and tomato food matrices

• Poster / AOAC

Overview

• The European Union SANTE 11312/2021 v2 guidelines describe the method validation and analytical quality control requirements for reporting multi-residue pesticide screening in food safety. This document provides regulatory guidance for nominal mass and accurate mass LC-MS/MS acquisition and data processing.
• In this work, a high-resolution LC-MS/MS QTOF was applied to the analysis of a panel of over 300 pesticides using a method which includes an MS full scan and selective fragment ion detection (MRM mode) compared to an untargeted data independent acquisition (DIA) approach.
• The optimized selective fragment ion method resulted in higher reference ion signal intensities and generated lower limits of quantitation.
• For some components and food commodities the MRM mode also generated a greater selectivity for some target pesticides.

Conclusions

• High resolution scanning MRM mode generates higher fragment ion intensities compared to a DIA-MS/MS method resulting in lower limits of detection in a panel of over 300 pesticides. For a limited number of target pesticides in certain food commodities the MRM mode also enhanced selectivity.
• The MRM mode met the reporting EU SANTE guidelines

4. Thermo Fisher Scientific (ASMS): Evaluation of Parallel Reaction Monitoring assays at discovery scale on a new hybrid nominal mass instrument for phosphoproteomics studies

• Poster / ASMS

Abstract

Purpose: Development of discovery-scale quantitative PRM-based approaches for phosphoproteomics studies.

Methods: Spectral libraries were previously generated on a high-resolution accurate mass (HRAM) mass spectrometer using synthetic SIL peptides. The precursor list from these libraries was imported to create targeted parallel reaction monitoring (PRM) assays on a newly developed hybrid high-speed nominal mass instrument.The SIL peptides mixture on neat solution was then measured to determine retention times in a 30-minute gradient method. Scheduled targeted MS 2 and MS 3 (tMS2 and tMS3) assays were created using PRM conductor, a new Skyline-based plugin tool. This new tool also added the corresponding endogenous peptides which led to a final assay of 670 phosphopeptides in both tMS2 and tMS3 methods. The performance of the methods was evaluated by measuring the phosphopeptides in a mixture of five cancer cell lines.

Results: Assessment of the limit of quantitation and linearity of both tMS2 and tMS3 methods was performed. For this, a serial dilution of cell lysate with SIL peptides into cell lysate was carried out. Preliminary results demonstrated excellent sensitivity in the atto-mole range of peptide amount on column. Additionally, results also indicated that enhanced selectivity can be achieved with tMS3 acquisition. Sensitivity was also evaluated in a mixture of five cancer cell lines.

5. Waters Corporation: An Efficient LC/MS Workflow for Identification and Monitoring of Host Cell Proteins for Assisting Monoclonal Antibody Process Development

• Application

Abstract

This application note introduced two analytical workflows for LC-MS analysis of host cell proteins (HCPs) in monoclonal antibodies: HCP Discovery and HCP Monitoring. The HCP Discovery workflow was demonstrated by identifying HCPs down to 5 ppm in the NIST mAb Reference Material, using the bench top Xevo™ G3 QTof System based on analytical scale UPLC™ separations of digested proteins. The HCP Monitoring assays were performed on the BioAccord™ UPLC-MS System, a platform fundamentally designed for high performance routine operation by non-MS experts, also using the compliance-ready waters_connect™ software for data acquisition and processing.

Benefits

• A Discovery HCP assay using UPLC-QTof MS, capable of detecting low-level HCPs, down to a concentration of 5 part-per-million (ppm) in the NIST mAb Reference Material 8671
• An HCP Monitoring assay, developed on a platform ideal for non-MS experts, was able to achieve the same detection limit (5 ppm) for a protein digest standard spiked into the NIST mAb digest
• Both Discovery HCP and Monitoring HCP workflows incorporate an analytical scale separation on the ACQUITY™ Premier UPLC System and Premier CSH™ Ccolumn chemistry that improves overall robustness for peptide based analysis

Conclusion

• Two analytical scale LC-MS workflows have been developed for HCP analysis: 1) A Discovery HCP workflow to identify and quantify unknown HCPs during development; 2) A Monitoring HCP to quantify known HCPs typically in a GMP environment supporting manufacture and quality analysis of biotherapeutics.
• Data-independent LC-MSE acquisition on the Xevo G3 QTof instrument, identified and quantified two spiked reference proteins, as well as seven endogenous HCPs from the NIST mAb reference material with an HCP Discovery Assay LLOQ of 5 ppm.
• The HCP Monitoring Assay, The HCP Monitoring Assay quantified four spiked proteins (MIX-4) in the NIST mAb digest sample with the same LLOQ (5 ppm) using the BioAccord LC-MS System and the Accurate Mass Screening workflow from waters_connect.
• Both assays were performed on compliant-ready informatics, allowing their use in regulated environments, such as QC or Manufacturing, or when internal data integrity concerns are present.
• Both workflows described here use robust, 2.1 mm ID, analytical scale separations, avoiding the reproducibility and robustness concerns of workflows using nanoscale LC coupled to HRMS.