Mass Spec Roundup: Fragments, Fumes and Photosynthesis… 

Largest Multistage Mass Spec Library Launched 

Researchers from IOCB Prague has created the most comprehensive collection of multistage mass spectrometry (MSⁿ) fragmentation spectra to date. The library, called MSⁿLib, already contains data for 30,000 small molecules and two million high-quality spectra – captured through successive rounds of molecular fragmentation.  

To assemble the library, researchers used high-throughput workflows to fragment multiple compounds simultaneously, cutting down measurement times to under two minutes per set. Automated data processing with the open-source mzmine software enabled consistent, scalable analysis.  

“During the twenty years I’ve worked in this field, spectral libraries have not expanded much. We managed to change this practice and created the largest database currently in existence,” said project leader Tomáš Pluskal in the IOCB press release. 

Unlike previous databases, which expanded slowly and covered a narrow slice of chemical space, the resource offers unprecedented detail on molecular “fingerprints” and is openly accessible to the global community. Since the paper’s acceptance, the team has grown MSⁿLib to 70,000 compounds and expects to reach 200,000 by year’s end. 

Home is Where the VOCs Live

A study has revealed that indoor surfaces such as painted walls, cement, and wood act as vast reservoirs for harmful volatile organic compounds (VOCs), retaining them for up to a year and slowly releasing them back into the air. Published in PNAS, the work demonstrates that permeable household materials absorb VOCs far more extensively than previously thought, making them major contributors to long-term indoor chemical exposure.  

Using simulation chambers and dynamic mass spectrometry, the researchers from UC Irvine tracked how contaminants from sources like cleaning products, tobacco smoke, and wildfire pollution partition into and out of building materials. 

“Our modeling found that surfaces inside homes have a much greater size to absorb and hold chemicals than previously realized,” said corresponding author Manabu Shiraiwa. “We can think of these surfaces as massive chemical sponges that soak up VOCs.” 

The findings explain why odors and pollutants – such as tobacco’s lingering “thirdhand smoke” – persist long after their sources are removed. Effective remediation strategies, the researchers note, must include physical cleaning methods like vacuuming, mopping, and dusting to reduce chemical buildup on surfaces. 

Library-Free DIA-MS Unlocks Proteome of Cyanobacteria 

A study has demonstrated that library-free data-independent acquisition mass spectrometry (DIA-MS) can achieve unprecedented coverage of the cyanobacterial proteome, offering fresh insights into microbial biology and bioenergy research. 

Using Synechocystis sp. PCC 6803 as a model, researchers benchmarked library-free DIA against traditional data-dependent acquisition (DDA) and spectral library–based DIA. They reported identification of over 3,300 proteins – a significant expansion in coverage compared with earlier approaches.  

“The library-free DIA workflow yielded more comprehensive proteome coverage than both DDA and library-based DIA,” the authors wrote, noting that the method “enables robust quantification of low-abundance proteins critical for photosynthesis, metabolism, and stress responses.” 

Looking ahead, the team suggests that applying library-free DIA to other microorganisms could reveal hidden aspects of their biology, paving the way for advances in synthetic biology, sustainable biofuel production, and microbial ecology. 

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