The first high resolution LCMS-ion trap-time-of-flight mass spectrometer

Featuring MSn Capability

Shimadzu's new LCMS-IT-TOF is a novel hybrid mass spectrometer for biomarker discovery, metabolite identification and human health research, and ideal for applications in forensics, drug development, and proteomics. Coupling atmospheric pressure ionization with Ion-Trap (IT) and Time-of-Flight (TOF) technologies, the LCMS-IT-TOF delivers high mass accuracy and high mass resolution (10,000 at 1000 m/z) independent of MS mode.

Key benefits and features

The LCMS-IT-TOF allows more qualitative information about a sample to be collected in a single run.

This enables researchers and scientists to:

* Elucidate structures of new molecules
* Identify impurities and contaminants
* Analyze metabolites and biomarkers to evaluate biological pathways

The LCMS-IT-TOF has been designed to maximize sensitivity and selectivity by optimizing the ion transport to the TOF analyzer and redefining the capability of the quadrupole ion trap. The ion trap is used to focus ions before ejection into the TOF as well as supporting MSn analysis with effective precursor ion selection capabilities (resolution > 1,000 at 1,000 m/z).

The new instrument incorporates a host of new technologies and enhancements, including:

* Compressed Ion Injection (patented)
* Ballistic Ion Extraction (patented)
* Dual-Stage Reflectron (patented)
* New ion optics (patented)
* Temperature control of the flight tube (patent pending)

The source design, desolvation capillary and reduced collision ion focusing Q-Array were adapted from Shimadzu's successful single-quad HPLC mass spectrometer.

Combining new, innovative technologies with one of the fastest polarity switching speeds available, the LCMS-IT-TOF expands the power of mass spectrometry scanning to deliver unparalleled performance for the most demanding analytical needs.

Formulae prediction software

High mass accuracy and mass resolution are powerful tools in determining empirical formulae. However, to help increase the probability of identifying the correct formulae, we have developed a new prediction software tool that not only uses mass accuracy and isotope fitting routines for MS it also uses the MSn information as well checking for fragment masses.

This approach helps to increase the likelihood of identifying the correct elemental composition and reduces the number of possible candidates.

Metabolite Profiling software

Integrates chromatography and mass spectrometry data sets together with statistical methods to help find components of biologically significance.

Key features

* Data conversion: Nominal and accurate mass conversion for Shimadzu instruments (also supports ABI file formats).
* Project management: A powerful tool used to describe the samples and assign biological and analytical variables (including the status of the disease, treatment, condition and so on). This helps use the integrated database to search for new biomarkers or confirm existing markers for different disease states.
* Peak Alignment: Select marker masses in different samples at different retention times. Choose up to 10 different m/z values at 10 different retention times. Fit the data using various fitting routines including:
o Linear
o Quadratic
o Cubic
o Quartic
o Point to point (with or without extrapolation)

* Peak peaking: For each data file, the extracted mass chromatogram is generated for each m/z value throughout the scan range. Peak picking is refined by using relative peak threshold and smoothing options to help find all related peaks.
* Finding the differences | building arrays: Once the chromatograms are aligned and the peaks have been selected the next step is to identify the differences between the data sets using statistical tools such as PCA-DA. By building data arrays which associate biological variables (such as disease state or treatment variable) with mass spectrometry data, specific components of a complex sample can be used to identify specific disease biomarkers. Biomarkers can be metabolites, peptides and/or gene transcripts.

Protein identification software

The LCMS-IT-TOF is a powerful tool in protein research generating information rich MS/MS spectra to help identify proteins.

Bringing together intelligent scanning tools for MS/MS analysis it is possible to identify low abundant proteins in complex mixtures and quickly link the data to a Mascot™ data base search (Matrix Science).

LCMS-2010EV (Evolution) refined and enhanced for even higher sensitivity in mass spectrometry detection.

Key features

• Revised ion source design. Orthogonal source geometry with an additional drying gas at the inlet of the capillary. Results in higher sensitivity and greater control of solvent adduct formation.
• Revised electrospray probe design. Maintenance free design.
• Revised ion optics. Enhanced ion transmission by further optimising the skimmer cone design at the entrance to the mass analyser.
• Microbore compatibility for both ESI and APCI. Technological advances in probe design have expanded the operating range of both APCI and ESI without affecting sensitivity. APCI is now compatible with microbore flow rates (less than 50uL/minute) while ESI can operate with flow rates as high as 2mL/minute without requiring flow splitting
• Mass directed purification support. PsiPort™ mass directed auto-purification software has been designed to help accelerate compound isolation and auto-purification by preparative LC/MS. The application software is web-based providing a generic solution to data review and data acquisition and has been designed to meet the needs of medicinal and synthetic chemists to track samples, fractions and associated data from MS and UV detectors. PsiPort™ also supports third party devices such as the Gilson 215 either as a fraction collector or autosampler.
• Fast scanning electronics support 6000 amu/second (6000 data points per second) acquisition rates for fast chromatography applications. Peak widths of several seconds may be detected using fast scan rates to maintain spectrum quality without affecting the accuracy and precision of detection.
• Multi-sequence mode support. Supports mixed mode analysis (switching between full scan acquisitions and selected ion monitoring), multiple acquisition conditions in a single analysis, simultaneous structural information and molecular weight confirmation in both positive and negative ion mode from a single injection and optimizes the response to both quantitation ions and confirmatory ions to minimize false positives and increase confidence in peak assignment.
• Automatically controlled nebulizer gas flow.
• Software-controlled syringe pump for simple calibration and infusion.
  Unique Q-array™ (patent pending) ion guide. Q-array ion guide (patent pending) configuration is unique - three quadrupoles with different inscribed radii coupled with an octapole The Q-array™ precisely focuses ion delivery into the mass analyser. The ion optic design for the LCMS-2010EV is the most innovative design in ion focussing technology. Using the Q-array™ (patent pending) and octapole RF guides to precisely focus ions to the mass analyser we deliver new limits of detection for LC.
  

Unmatched productivity

• Supports the new standard in high throughput auto-injectors, the SIL-HT from Shimadzu (15 second injection cycle)
• Automatic acquisition, processing and reporting through a single click of the mouse
  High throughput micro-titre plate support.
• Customised reporting for efficient and effective information management.
• Streamlined data processing for third party software systems
• Automated export to knowledge systems.
• Mass directed purification.

Multi-sequence mode

• Enhanced source design
• The atmospheric pressure ion source now supports a counter gas flow to control adduct formation and enhance ion transmission of low polarity compounds. The counter gas flow not only enhances the desolvation processes but reduces the maintenance on the capillary inlet.
• To reduce maintenance further and increase sensitivity the electrospray probe design has also been redesigned to take into account a stainless steel capillary.

The LCMS-2010 Evolution provides superb high throughput performance mass detection in a flexible compact package. The system is supplied with an ESI probe, integrated autotuning and infusion capability as standard. The system may be seamlessly expanded by the addition of high performance APCI and APPI probes, or the switching valve/flow injection options. Productivity is maximised by the intelligent use of multi-sequence modes enabling simultaneous data collection for up to 64 combined experiments. The instrument can be configured to operate as a modular system, or combined with the innovative LC 2010HT standalone LC to provide an ‘end of bench' LCMS detector. The SIL-HT and LC10Advp modules offers low carry over and high through put with supreme gradient performance from the microlitre flow range upwards. When teamed with the LC 2010HT the LCMS-2010EV provides a completely integrated ‘normal' flow range LCMS in less than a metre of bench space – the smallest footprint of any single Quadrupole LCMS instrument.

Low Temperature Evaporative Light Scattering Detector

Enhanced Sensitivity for Trace Analysis

The ELSD-LTII utilizes a high-efficiency LED and enhanced digital signal treatment to minimize noise and deliver optimum sensitivity for trace analysis. An innovative cell design also reduces band broadening and allows sensitivity levels below 200 picograms. The high-performance optical detection system can also be used for combinatorial chemistry and high-throughput screening applications.

he new Low Temperature Evaporative Light Scattering Detector (ELSD-LTII) is an easy-to-operate, universal detector that identifies analytes with uniform sensitivity regardless of their spectroscopic properties. It is not a spectroscopic detector. Instead, it removes the mobile phase through evaporation and then makes a light scattering measurement of the dried analyte particles.

Features

The ELSD-LTII is ideally suited for such applications as drug discovery, natural products development, combinatorial chemistry, and food and beverage. It will enable you to see all sample components, even semi-volatile compounds, down to the high picogram level.

The ELSD-LTII provides excellent performance during gradients for optimized separations and reduced run times. A unique cell design reduces band broadening to a level similar to UV-Vis detectors while its single mode, low-temperature operation (user defined from ambient 80°C) optimizes sensitivity for those analytes that are easily missed at higher evaporation temperatures typical of competing detectors.

The SPD-M20A High Performance Liquid Chromatography PDA detector provides users with the most advanced level of sensitivity and stability found in today's PDA detectors. Sharing many of the qualities of the SPD-20A/20AV UV-Vis Detectors, the SPD-M20A attains sensitivity levels approaching the most advanced UV-Vis detectors. It has a high-sensitivity mode with an 8 nm slit width. Using light-source compensation, it offers a noise level of 0.6×10-5 AU, which is comparable to that of traditional UV-VIS detectors.

Features

Greater Baseline Stability
Supplied as standard, a temperature-controlled flow cell eliminates inconsistencies caused by changes in absorbance due to shifts in room temperature. This helps increase the baseline stability and the analysis reliability.

Superior Linearity - 2.0AU
Using newly developed signal processing technology, the stray-light correction function has been enhanced, and the linearity has been improved. This expanded linearity combines with various noise-reduction technologies to provide users with a wide dynamic range and allow for the analysis of your target compound and minor impurities in a single run.

Web Browser Control
The SPD-M20A is equipped with an Ethernet interface and Web-control functions, allowing devices to be monitored and controlled from PCs in the network. As a standalone high-sensitivity multi-wavelength detector, it can be incorporated into non-Shimadzu HPLC systems.

LC/LCMS solution is the HPLC version of Shimadzu's workstation software family LabSolutions. The software can control the LC-10AVP, LC-2010 and LC-20A prominence series and the MS instruments QP-8000, LCMS-2010 series and LCMS-IT-TOF.

LC/LCMS solution offers easy operation with Assistant bar, Data explorer, and Batch table wizard. For GLP/GMP regulatory compliance, user management functions, validation assistant, audit trail assistant, and QA/QC function are provided as standard features. Flexible report generator allows user to create report as desired. The assistant bar navigates the user through the operations. Even novices can easily execute analysis and reanalysis by just clicking on the icons in order. The data explorer classifies files and displays them in list format. Intuitive file operation is possible using the double-click and drag-and-drop functions of the mouse. Batch tables for consecutive analysis of multiple analytes can be easily created using a wizard. Just obey the wizard and input the necessary items to be able to create a batch table vital for multi point calibration curves and repeat analysis. Several function in the software are equipped with Wizards for easy operation: create and edit the sample table and edit calibration curve.

Post Run operation realised drag and drop function for open datafiles from the data explorer, various file converter for data files: Chromatopac-Integrator, CLASS LC-10 and CLASS VP, AIA (*.cdf) and ASCII data. PDA UV Spectra data are saved in JCAMP-DX. All data can be exported into ASCII- and XML-format, chromatograms into CDF, connection to Adobe Acrobat enables automatic PDF export.

The hyper report function supports high flexibility in report creation. Items like chromatograms and peak tables can be pasted in and freely edited, while the created report format can be saved as a template.

LCMSsolution provides full chromatogram and spectrum processing, integrated quantitation, library searching and library generation together with the most comprehensive reporting package ever designed for LCMS. User access controls, integrated autotuning, data export to LIMS, comprehensive system checks and many other features available from the click of a mouse makes LCMS a technique for all, without diluting its power.

Functioning as a module of LCsolution software, LCMSsolution provides complete access to the analytical power of the mass spectrometer, without compromising its ease of use as an LC detector. Truly integrated chromatogram and spectral processing, with a powerful quantification package and unsurpassed flexibility in reporting; operating in a true 32 bit environment.

Excellent wizards guide the unaccustomed user through all aspects of instrument and sample set up. Alternatively the experienced user can rapidly access all necessary parameters directly. Innovative ‘browser' software gives rapid and effective access to multiple data files in either qualitative or quantitative screening applications.

For the multi-user environment there is full and effective control of user rights via password protection, simple data export and comprehensive audit trailing (with the optional Class Agent software package).

• Flexible LC Systems & modules
• LC2010