News

Chemical Dark Matter of the Amazon’s Iron Caves

Deep within the aphotic zones of the Amazon’s ferruginous caves, a hidden world of microbial “dark matter” holds immense potential as a source for pharmacological innovation. A pioneering metabolomic survey of these extreme environments isolates rare bacterial genera that thrive in these iron-rich landscapes. They use SIRIUS to identify and classify chemical features, including potent cyclopeptides demonstrating growth inhibition against cancer cell lines.

Read the full blog post.

N. N. Kato et al. Chem. Biodivers. (2026) doi: 10.1002/cbdv.202502912

ASMS Advance Registration Deadline

ASMS 2026 is just around the corner! Don’t miss the Advance Registration Deadline on April 30.

We can’t wait to see you there to show you SIRIUS 6 in action.
📍 Stop by Booth 606 to say hi!

Spectral denoising affecting compound identification

A critical look at how spectral denoising affects compound identification and molecular network reliability.
A study found that applying a standard 5% intensity cutoff was often too aggressive, resulting in the loss of nearly 50% of the ions explained by SIRIUS.

N. Dalla Valle et al. Anal. Chem. (2025) doi: 10.1021/acs.analchem.5c02109

Downloadable Libraries & Transformation Product Database Export

⬇️ Downloadable Libraries: You can now download our integrated spectral library with curated spectra from GNPS, MassBank and MsnLib.

⬆️ Transformation Product Database Export: We now offer the export of the entire transformation product database generated with BioTransformer during your custom database import, as users love the simplicity of generating transformation products within SIRIUS.

Download the latest SIRIUS update now.

Analytica 2026 Reminder

The largest gathering for laboratory technology and analysis is just days away, and we are geeting ready to meeting you in Munich! See SIRIUS 6 in action—from automated LC-MS/MS preprocessing to de novo structure generation of unknowns.

Revealing the Hidden Burden of Offshore Discharges

Offshore produced water discharges introduce over 240 billion liters of complex chemical mixtures into the marine environment annually. In a case study using produced water from North Sea offshore oil platforms, researchers demonstrated that traditional monitoring significantly underestimates the persistence of discharged chemicals. They introduce a novel analytical framework using advanced non-target analysis and computational workflows, including SIRIUS to highlight a significant “hidden burden” of persistent pollutants.

Read the full blog post.

M. T. Møller et al. Environ. Sci. Technol. (2025) doi: 10.1021/acs.est.5c08802

Meet us at Analytica 2026

Stop by our booth to see SIRIUS in action. Whether you are tackling drug discovery, E&L detection, PFAS analysis, or natural product dereplication, our latest machine learning models are designed to accelerate your structure elucidation workflows.

Environmental and Maternal Drivers of the Infant Gut Metabolome

The maturation of the gut microbiome during the first six months of life is a foundational process, playing a key role in metabolic programming and training of the immune system, but these patterns remain critically underexplored in populations from low- and middle-income countries. To address this gap, an observational, longitudinal study profiled the developing gut microbiome and metabolome in Bangladesh using a multi-omics approach. Systematic classification and metabolite annotation was achieved using SIRIUS. The overall aim was to understand how maternal and environmental factors—specifically delivery mode, maternal milk composition, and household water treatment—shape this foundational postnatal development.

Read the full blog post.

K. E. Kvitne et al. Cell Host Microbe (2025) doi: 10.1016/j.chom.2025.11.002

Influence of gut microbiota on drug efficacy

In pharmacology, one of the most significant challenges is the variability in how patients respond to the same drug. While factors like genetics and lifestyle are known to play a role, emerging research points to a hidden player: the human gut microbiota. This vast community of trillions of microbes is an active participant in our health, influencing everything from nutrient absorption to the efficacy of our medications. Using advanced computational tools like SIRIUS to analyze mass spectrometry data, researchers investigated how gut microbiota alter the chemical structure of GPCR drugs.

Read the full blog post.

Q. Wu et al. Nat. Chem. (2025) doi: 10.1038/s41557-025-01789-w

SIRIUS for prioritization in non-target screening

SIRIUS plays a significant role in prioritization strategies for non-target screening in environmental samples. Its primary function is to generate molecular fingerprints from MS/MS data, which are then used for compound identification or toxicity prediction.

A. Torres-Agullo et al. J. Chromatogr. A (2025) doi: 10.1016/j.chroma.2025.465944

Meet us at ASMS 2026

We have secured our spot for ASMS2026 in sunny San Diego! ☀️

If you’re attending, make sure to visit us at our booth next to the main entrance.

We truly look forward to meeting many of you to discuss how SIRIUS will improve your small molecule analysis.

Molecular fingerprints for toxicity prediction

Although direct structural information may not always be available, specific structural details, such as the presence of function groups, can be obtained from MS/MS spectra using SIRIUS. These molecular fingerprints serve as crucial inputs for other predictive models, such as toxicity predictions, even when the exact identity of a compound is unknown.

A. Canchola et al. Environ. Int. (2025) doi: 10.1016/j.envint.2025.109404