Your organization likely has (or will have) mass spectrometry instruments from multiple vendors. Every group of vendor instruments outputs data in its own format, to be processed with its own software, and you end up with many incompatible raw files.
Instead, our vendor-agnostic software works with data formats from all major instrument vendors. You can process all your data within a consistent interface and easily switch between files collected on different vendor instruments. Finally, you can database all your information together in a single repository.
Organizations often have repetitive MS analysis workflows, like purity checks. Skilled analysts spend time running the same file-gathering and data-analysis steps over and over, taking time away from more valuable tasks.
Automation reduces repetitive work by pulling relevant files directly from instruments, running processing steps, and storing the raw data and results in a database. Analysts can quickly review flagged results while saving time for running new experiments and developing new methods.
MS data doesn’t exist in a vacuum. A lot of supporting information surrounds each dataset you collect: known compounds, method parameters, results from other techniques (NMR, IR, UV/vis, etc.). There’s no easy way to gather all this information together. Most MS software doesn’t handle NMR or IR data; it might not even handle chemical structures.
Enter the Spectrus Platform. Spectrus is built for analytical data assembly, so not only can you process your MS data, but you can also attach (and process) data from other analytical techniques. Finally, attach chemical structures to peaks and include method parameters, so you’ll always have all relevant information ready for review.
Works with Your Current Tech
Have you been using third-party databases for structure searches and compound identification? Perhaps you’re worried about compatibility if you add a new piece of technology.
We’ve been working with all major MS vendors for years. Our software handles their data formats, and we also have additional Wiley and NIST libraries. So you can keep using the tech you’re used to—just with an added tool to make your processing and deformulation faster.
Massive amounts of MS data are collected by R&D teams—and it only grows with time. Finding the results of a specific experiment again can be difficult, especially if the data is needed by different teams. You might need to track it back to its original file format and instrument.
Searchable and shareable databases ensure that any data is only a search query away from any scientist, no matter what instrument it was collected on. With search that runs by spectra, structure, substructure, method metadata, and more, you can find the right results from even hazy memories of a past experiment.
And with ‘live’ data, you can reprocess your data right where you find it.
“[MS Workbook Suite] can be applied to rapidly identify targeted molecules in complex mixtures, following a well-defined and validated analytical protocol. It is well adapted to rapid and automated analyses of large series of samples, [and] improves and increases the selectivity performance of simple and low-cost LC/MS instruments.”
“We now have a gold-standard database of […] mass spectra, fully searchable. So [it] can be searched by [...] the Pfizer compound number, structure, and substructure, but also folks can do spectral matches, right? They can input mass spectra and you say, 'Hey, is there is there a spectrum or compound in the database that matches closely?'”