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Standardized Analytical Data Processing & Knowledge Management

The Spectrus Platform is a collection of desktop software, browser-based applications, and an ecosystem of informatics technologies for handling analytical and chemical data.

With Spectrus applications, you can process all your analytical data and connect them with chemical structure. No matter the analytical technique or instruments it was gathered on. With all the data in one place you can get answers, make decisions, and share knowledge.

Software on the Spectrus Platform Is Right for You If…

  • LC/MS, NMR, GC/MS, HPLC, Raman, IR, and other analytical techniques are used in your organization to make decisions about compounds and formulations
  • Your labs are equipped with analytical instruments from different vendors
  • You want to make analytical data more accessible throughout your organization
  • Assuring data integrity for decisions based on analytical data is important to you
  • Your organization is investing in digital transformation efforts and data science projects

The Spectrus Difference

A Common Format for Standardized Analytical Data

  • A single data format for the analytical techniques used to characterize compounds and formulations in your labs. LC/MS, GC/MS, NMR, Chromatography, Raman, IR, UV, Visible, and more.
  • Native support for >150 data formats including major instrument vendors, open-source formats, and emerging standards (e.g., AnIML, JCAMP, and ADF from Allotrope).
  • Normalization of heterogeneous data for AI and ML applications

Chemically Intelligent Data Processing & Analysis

  • Spectrus applications will detect the type of data you’re importing and offer the relevant tools to process and analyze it.
  • Connect and assign full chemical and biochemical structures, structure fragments, Markush structures, or atoms to spectra and chromatograms.

Searchable Knowledge with Context

  • Integration of chemical and biochemical structure means scientists can create direct correlations of structural features with analytical spectra and chromatograms.
  • Records in a Spectrus database assemble and connect data from multiple analytical techniques with metadata, other relevant information, and documents.
  • Chemically intelligent search means database records can be searched by structure, sub-structure, text/numerical values, and numerous spectral features (peak/exact/similar, etc.)
  • The context lab scientists and data scientists need, to make decisions

Data Accessibility & Data Integrity Assured

  • Knowledge in Spectrus databases is shared by R&D organizations across their global networks. Data may be accessed locally or remotely.
  • Establish data access and change permissions so only approved users can make modifications.
  • Make data more accessible than ever by deploying browser-based applications
  • Data that is ideal for lab scientists, data scientists, and automated data flows

Live Analytical Data

Dead Data
  • Abstracted text, numbers, and images
  • Difficult to interrogate and review
  • Must find the original raw data before reusing

Live Data
  • Rich spectra and chromatograms
  • Interactive and intuitive for scientific review
  • Immediately available for re-use

With live analytical data, you store data with its interpretation, rather than separating the two in different places. Spectrus stores live data for seamless data analysis and reanalysis.


Of the world's top 25 Pharma empower their R&D scientists with applications on the Spectrus Platform


Organizations all over the world choose Spectrus for standardized analytical data handling and knowledge management


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