Analyze Smarter. Discover Faster.
AI-powered analysis of small molecule MS/MS data.
Accelerate your path to discovery with SIRIUS.
SIRIUS at a glance
All-in-one solution for small molecule analysis
SIRIUS transforms how you analyze your small molecule LC-MS data:
- preprocess your LC-MS/MS data with automatic feature detection, feature alignment and adduct detection including quality metrics for easy prioritization
- effortlessly annotate molecular formulas from isotope pattern and MS/MS spectra
- confidently predict molecular structures by searching molecular structure databases
- generate molecular structures from MS/MS spectra from scratch
- quickly predict compound classes without relying on any database
- inspect results based on multiple validation levels, such as confidence scores and substructure annotations
- seamlessly combine powerful structure annotation tools with your in-house spectral libraries
A suitable solution for every purpose
SIRIUS provides different subscription plans tailored to different user needs — from standard solutions to full customization.
Each plan is designed for different workloads, from individual researchers to enterprise-scale providers.
Standard
Solutions
-
leading methods for small molecule ID
-
get started immediately
-
flexible volume-based packages
or unlimited queries* -
standard hosting: different users share the same cloud environment
-
default
machine learning methods -
data is uploaded for computation
and promptly deleted after retrieving results
Dedicated
Solutions
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leading methods for small molecule ID
-
get started after quick setup
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unlimited queries*
with exclusive compute resources -
dedicated hosting
in own cloud environment -
customization available
(e.g. custom ML models) -
data is uploaded to your private environment
and promptly deleted after retrieving results
On-Premises
Solutions
-
leading methods for small molecule ID
-
get started after customized set up
-
unlimited queries*
with exclusive compute resources -
on-premises hosting
-
customization available
(e.g. custom ML models) -
data remains on your premises
Academic
Solutions
-
leading methods for small molecule ID
-
get started immediately
-
unlimited queries
-
standard hosting
by FSU Jena -
default
machine learning methods -
data is uploaded for computation to FSU Jena servers
(retention per FSU policies) -
free for academic users
* total number of queries is limited by the available compute resources
Discoveries from users all over the world
SIRIUS is widely recognized and trusted within the scientific community, processing millions of queries each year. Explore this list of discoveries made by independent research groups to see how our software can elevate your small molecule data analysis.
Recognized Excellence
Awarded Research
Our methods for small molecule analysis are based on many years of research published in high impact journals and presented on leading bioinformatics conferences. SIRIUS was awarded “method to watch” by Nature Methods in 2020 and the research team was awarded the Thuringian Research Prize 2022 for applied research. SIRIUS has proven to be the best computational method to identify molecules from MS/MS data by winning the CASMI contest since 2016 in several categories.
Industry Impact
Agilent recognizes the growing desire for non-targeted metabolomics, environmental analysis, and pharma solutions. The Böcker Lab have proven best-in-class tools for structure elucidation with mass spec data, and Agilent has collaborated with them for over a decade. We are excited to further strengthen our commitment to state-of-the-art algorithmic solutions, to continuously provide our customers with the highest level of analytic tools.
Jennifer Gushue
Associate vice president of
MS Marketing, Mass Spectrometry Division at Agilent
