waters_connect 3.3.0 Release Overview

waters_connect Base Kit comprises platform components and core applications such as Hub, Administration, UNIFI, System Console, Device Management, Explorer, and Qualification for general system use.

Key benefits in this release include:

• Improved data clarity to achieve faster decision making when using the UNIFI Accurate Mass screening workflow with Select Series MRT data. Benefit from the enhanced isotope clustering algorithm improvements and leverage  higher spectral resolution data for species containing N15, S34 and O18, and C13 and Cl35;

• Improved product quality and stability by addressing high impact software anomalies, such as:

  • inability to import library components with detection result having adducts and charge states; 

  • analyte names not showing in the channel filter of MRM MassLynx data imported into waters_connect;

  • slow performance when discarding a batch with a large number of records; 

  • Masslynx data import failures when using a network share;

  • lack of information on root cause and issue resolution when processing completes with errors in the UNIFI application; 

  • import MassLynx data limitation not showing the Quan Reference value.

Sample Submission and Method Editor enable access to acquisition utilities used for accurate mass Biopharmaceutical applications with Xevo G2-XS QTof, Xevo G3 QTof, and BioAccord System, and the quantitation workflow with Xevo TQ-S cronos, Xevo TQ-S micro, Xevo TQ-XS, and Xevo TQ Absolute.  

Key benefits in this release include:

• Increased lab productivity and throughput with the introduction of support for the ACQUITY PDA Detector and ACQUITY Sample Organizer modules within the Sample Submission and Method Editor applications;

• Increased usability and productivity for accurate mass workflows with the support of Data Dependent Acquisitions (DDA) within the Sample Submission and Method Editor applications when using Xevo G2-XS QTof and Xevo G3 QTof systems;

• Increased usability and reduced waiting time for system readiness with new default instrument systems related settings, such as: 

  • view by default the Instrument System details panel when accessing the System Console application;

  • new defaults parameter for source temperature and scan time in the Method Editor application when using the Xevo G2-XS QTof and Xevo G3 QTof systems;

LC-MS Toolkit enables data interrogation outside of the defined workflows; provides flexibility to the software that is needed for more advanced use.

Key benefits in this release include:

• Increased data clarity and faster decision making by viewing and manipulating 2D PDA in the LC-MS Toolkit application (such as 2D channel, PDA Max plot, deuterium spectra, extract wavelength spectra, extract wavelength chromatogram);

• Faster time to results of unknown components with enhanced structural elucidation capabilities, such as:

  • Mass Fragment for determining the likely fragments from a mass spectrum from a purposed .mol file;

  • Elemental Composition improvements, including the ability to load and save user settings and to select different charge states for the precursor and product ions.

Peptide Multi-Attribute Method (MAM) enables monitoring of biopharmaceutical product quality attributes (PQA) at the peptide level.

Key benefits in Peptide MAM 1.8.2 include:

• General maintenance release
• Defect fixes

Intact Mass enables biologics mass confirmation and purity determination of oligonucleotides, peptides, protein and conjugates.

Key benefits in this release include:

• Automated Calculations of DAR and Drug Distribution for Conjugated Molecule Analysis - Users can now deploy a BioAccord System, Xevo G3 QTof, or Xevo MRT QTof to analyze conjugated molecules, specifying the conjugate and its mass in the INTACT Mass data processing parameters, and have the calculation of Drug Antibody Ratio and distribution of conjugate forms automatically performed from the acquired data.

• Controls for manual adjustments of chromatographic integration - Users can now manually adjust chromatographic peak integration and associated peak identification results and use those reintegrated peaks to direct the processing of mass spectral data.

• Sample List Entry of Chemical Formula - User can now specify a ‘Chemical formula for deconvolution’ that will be used to refine the deconvolution isotope model, improving deconvolution mass accuracy and quantification.

• Updated Sample List Column ‘Expected Masses’ changed to ‘Expected Masses and/or Chemical Formulas’: Users now can enter targets as numeric masses, as chemical formulas, or a mixture of both.

• New Method option within ‘Specify calculation parameters’, allowing the user more control over the ‘Main Peak Retention Time Window’ to improve main peak identification in Optical Only and Variant Analysis workflows

• Bioprocessing workflow: Additional sample list columns for Time Point and Dilution Factor that facilitates processing time series trending data (in bioprocess monitor or in third party solutions) and dilution factor to enable clearer results visualization and trending.

Synthetic Library supports the Confirm Sequence and Map Sequence applications for oligo sequencing and mapping workflows.

Key Benefits in Synthetic Library 2.0 include:

• Support for oligo mapping workflow - new enzymes and polynucleotides sections

• Multiple library support including user access controls

CONFIRM Sequence enables streamlined oligonucleotide sequence confirmation and impurity characterization workflow

Key benefits in CONFIRM Sequence 2.0 include:

• Compatibility with Synthetic Library 2.0.0
• Maximum charge state support extended to -20
• The user can now confirm if their chosen nucleic acid digestion strategies can theoretically produce the desired sequence coverage, using a visualization of theoretical digest sequence coverage, including calling out segments of isobaric mass ambiguity. This helps users to determine the best digestion strategy to achieve optimal sequence coverage using unique digestion products.
• Localization into Japanese

Map Sequence enables accurate mass mapping of digested oligonucleotides.

Key Benefits in Map Sequence 2.0 include:

• Supported by Synthetic Library for sequence entry and experimental planning

• Oligo mapping and sequence confirmation using LCMSE precursor and fragment data

• Interactive annotated chromatogram

• Interactive coverage map for simple visualization of sequence coverage and navigation to supporting data

• Drill-down to fragment analysis

• Dynamic pass-fail filtering and acceptance criteria for investigation and curation of results

• Integrated reporting

MS Quan enables routine small-molecule quantitation and accelerates quantitation data processing and review steps with exception-focused review and easy-to-view chromatogram windows for multiple samples.

Key benefits in this release include:

• Explicit edit and discard actions on methods and results to clarify the situation around saving of data;
• clear display of version information for all MS Quan entities;
• automatic calculation of a recovery % for Primary Internal Standards;
• Reporting enhancements to allow users to further define the content of the PDF report, such as:
  • Option to set the size of chromatograms and define the axes
  • Filtering of injections/analytes included
  • Inclusion of instrument system type and name

• Improvements to the manual integration workflows that allow new peaks to be added and defined more reliably.

Operating System
Windows

Requirements

• Windows Defender must be set to Off.
• OS language: English (US), Japnese (Japan)
• Windows images provided with waters_connect PCs include Windows IoT Enterprise licensing which enables extended support on the operating system end of service over the standard edition. View more information on Windows releases.

Versions Supported
Workstation PC

• Windows 10 Enterprise IoT LTSC 2021 edition (version 21H2)
• Windows 10 Pro version 22H2

Operating System
Windows

Versions Supported