AcquireX Intelligent Data Acquisition Workflow

Acquiring high-quality data doesn’t need to be a challenge

Your samples contain vast amounts of information, which provides both knowledge and value. The Thermo Scientific AcquireX intelligent data acquisition workflow enables you to access this information by acquiring the highest quality, in-depth LC-MSn data possible.

Small molecule structural identification and characterization typically involves exhaustive, in-depth analysis of complex samples followed by deep interrogation of the data. Wouldn’t it be nice to be able to ensure that you can obtain multi-stage fragmentation data (MSn) for every analyte of interest?

Find out more about the latest advances in data acquisition that allow you to capture more meaningful data faster than ever before.

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Key benefits of AcquireX data acquisition

Collect more meaningful data, not just more data Fully automated, all-inclusive data acquisition Increased productivity and more confident identifications
Typical LC-MSn workflows have to compromise among spectral quality, specificity and coverage. Now you can break those dependencies and capture high-quality MSn spectral data on every compound in your sample, automatically. There is no need to manually interrogate your data to identify background ions for exclusion, or to create inclusion lists. Interrogation can be automated, from background exclusion to the inclusion of sample compounds, automated include/exclude list updates and iterative sample re-injections for exhaustive MSn profiling. Compared to 'traditional' data-dependent acquisition (DDA), both the number of compounds with in-depth fragmentation spectra and the confidence in spectral matches increases when using AcquireX DDA. This is especially true when using Compound Discoverer software or Mass Frontier software with mzCloud. Interrogate your samples more deeply, with more confidence in assignments.

Learn more about the AcquireX data acquisition workflow

Fully characterizing a sample requires accurate and sensitive hardware accompanied with an integrated path of data acquisition and analysis tools.

The comprehensive analysis of complex samples for small molecule identification and structural elucidation can be a bottleneck, involving tedious manual data interpretation as well as complex instrument setup.

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Choose from a range of pre-defined, single-click templates arranged by application, or customize your own.

Regardless of how you choose to acquire your data, the method set-up is quick and simple, even with advanced workflows for profiling, identifying and characterizing your samples.

List of templates arranged by application

Through analysis of sample background (a solvent or matrix blank), the AcquireX software automatically creates an exclusion list. A full-scan MS analysis is done to create an inclusion list of precursor ions. Then, these inclusion and exclusion lists are used to dynamically analyze your sample.

The lists are automatically updated as MSn data is acquired for each compound, and the instrument ensures data quality through reduced redundancy in the total number of fragmentation spectra per compound.

Sample features identified by AcquireX

Now that you have acquired comprehensive MSn data for all your compounds, you need to identify them.

Combining the world’s largest mass spectral fragmentation library, mzCloud, with other online databases and the unknown identification capabilities of the mzLogic data analysis algorithm, means that you can be confident in assigning structures to your unknowns.

With both Compound Discoverer software and Mass Frontier software, you make the most of your data and automate the identification of your unknowns, even when there is no spectral match.

Identifying unknowns

The ability to acquire high-quality MSn data is more than just 'more data'. In the example below, the MS/MS of two structural isomer flavonoids is identical, meaning that accurate structural identification is impossible. However, the AcquireX workflow automatically triggers neutral loss MS3 results in two different fragmentation spectra, allowing for the correct distinction between the two isomers.

High quality MSn data
Orbitrap ID-X Tribrid Mass Spectrometer

AcquireX intelligent data acquisition is available with industry-leading mass analyzer technology dedicated to small molecule analysis, the Thermo Scientific Orbitrap ID-X Tribrid Mass Spectrometer.

By capturing more low-abundance analytes and leveraging streamlined data analysis and mass spectral prediction tools, the system's intuitive, automated workflow accelerates results, especially when combined with the powerful high resolution, accurate mass libraries of mzCloud and the data interrogation capabilities of the Compound Discoverer and Mass Frontier software packages.

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For Mass Frontier software upgrades:

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Break your bottlenecks

Small molecule compound

Addressing the "Identity Crisis" in Small Molecule Compound Identification

In this webinar we discuss a fundamental new approach to untargeted small molecule analysis involving optimized mass spectrometers, powerful new data acquisition strategies, and an arsenal of new software tools to translate high-quality Orbitrap mass spectra into more, confidently-assigned small molecule structures.

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