Chris Brown

@cjb-iondoc.bsky.social

Mass Spectrometry enthusiast! Science first!

Pretty good ASMS! Gave a couple talks. Collected data at the last minute for a collaborator talk! What a fun rush! Met with old friends and made some new ones. We are seemingly going through a rough time! But with our community— we can make it!! #asms

The next generation of mass spectrometrists is here in San Diego! Undergrads at #ASMS2026: your community is waiting. Jump into the poster competition, the networking sessions, the evening workshops. Check the reposted material for details. Ask the question you think is “too basic.” It never is. 💪

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(Angew Chem) Chemical Metabolomics: Chemical Biology Tools for Advanced Metabolism Investigations: The human metabolism has been investigated for several millennia. The metabolome is known for a high complexity due to a large number of different metabolites that are… (RSS) #AngewChem #MassSpecRSS

Chemical Metabolomics: Chemical Biology Tools for Advanced Metabolism Investigations

The human metabolism has been investigated for several millennia. The metabolome is known for a high complexity due to a large number of different metabolites that are present at different concentrations. Metabolomics has been developed as a field to investigate the entire human metabolome and to elucidate disease development mechanisms. This Minireview compiles and discusses the Chemical Biology tools in the past decades developed for advanced metabolomics investigations. ABSTRACT Human metabolism has been investigated to understand disease onset for the discovery of new selective pharmaceuticals and the development of diagnostics for early disease detection. Metabolomics, as an interdisciplinary research field, has been implemented to investigate the entirety of the complex metabolite profiles predominantly using mass spectrometry. In the past two decades, the development of chemical biology tools for the detailed metabolism investigation has received a boost to advance metabolomics analyses. Especially, the identification of the microbiome and its importance for human physiology were the main motivation for these strategies. These new tools at the intersection of Chemistry and Biology have especially aided to uncover previously unknown metabolites in humans and have slowly elucidated metabolites produced by microbial communities. These Chemical Biology tools, integrated with metabolomics tools and technologies, build the foundation for Chemical Metabolomics investigations, which have led to the discovery of important metabolites that are modulators or readouts for disease development and human homeostasis. This overview article focuses on the recent developments and the diversity of Chemical Biology tools and technologies, particularly methods involving chemoselective probes, in vivo analysis, host-microbiome co-metabolism, and activity metabolomics, in the context of understanding human metabolism at the molecular level.

dlvr.it

My current role always feels like a mess. But that beautiful mess really comes together when we can do metabolite ID, bio transformation characterization, and then find novel enzymes. This is quite literally my favorite. We just hit a milestone with one project after 3y of nights and weekends

Our paper out today combines my love of blood proteomics and a seriously awesome group of experts I am humbled to be included alongside. Thanks to @ypriverol.bsky.social and Asier Larrea-Sebal for leading. This is a great modern review with a nod to non-MS data. link.springer.com/article/10.1...

Blood proteomics: insights from public data - Genome Biology

The circulating blood proteome comprises soluble and cellular components that reflect physiological and pathological states across tissues. Advances in mass spectrometry and affinity-based proteomics ...

link.springer.com

Improving the Quadrupole to Ion Mobility Region in a Digital Quadrupole/Ion Mobility/Orbitrap Mass Spectrometer #JASMS pubs.acs.org/doi/10.1021/...

Improving the Quadrupole to Ion Mobility Region in a Digital Quadrupole/Ion Mobility/Orbitrap Mass Spectrometer

A quadrupole/drift tube ion mobility/Orbitrap instrument requires pumping from atmosphere to 10–5 Torr in the quadrupole analyzer region, back to 1 Torr for the drift tube, and a return to 10–5 Torr for the Orbitrap high vacuum region. The Orbitrap high vacuum region contains the transfer multipole, C-trap, and HCD cell. Insufficient pumping between the drift tube and quadrupole leads to helium in the quadrupole analyzer chamber which compromises performance. Additional vacuum regions were added between the drift tube and the analyzer chamber to maintain the analyzer pressure below 5.5 × 10–5 Torr with the drift tube pressurized to 1.5 Torr of He. In this configuration, the isolation of a single charge state of C-reactive protein (m/z 5,000) was demonstrated. Fourier transform ion mobility spectra were acquired with the quadrupole in full scan mode and in the isolation mode. Ion optic voltages were optimized for both helium and nitrogen bath gases in the drift tube so that minimal ion heating was observed entering the drift tube. These instrument modifications enable improved ion transfer efficiency, allowing for better ion isolation by the digital quadrupole ion mobility separation of large protein complexes, as illustrated by the 23+ and 24+ charge states of C-reactive protein.

pubs.acs.org

Had a great time at Chicago Mass Spec day! Many thanks to the organizers and congrats on the 10 year anniversary! Also want to highlight our great undergrad intern, Justin Chavez! His first poster at an academic conference went awesome! #teammassspec

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It appears the Tenzer lab was well ahead of the curve with this with their platform: pubs.acs.org/doi/10.1021/... This was the solution I found to be most useful.

OpenTIMS, TimsPy, and TimsR: Open and Easy Access to timsTOF Raw Data

The Bruker timsTOF Pro is an instrument that couples trapped ion mobility spectrometry (TIMS) to high-resolution time-of-flight (TOF) mass spectrometry (MS). For proteomics, lipidomics, and metabolomics applications, the instrument is typically interfaced with a liquid chromatography (LC) system. The resulting LC-TIMS-MS data sets are, in general, several gigabytes in size and are stored in the proprietary Bruker Tims data format (TDF). The raw data can be accessed using proprietary binaries in C, C++, and Python on Windows and Linux operating systems. Here we introduce a suite of computer programs for data accession, including OpenTIMS, TimsR, and TimsPy. OpenTIMS is a C++ library capable of reading Bruker TDF files. It opens up Bruker’s proprietary codebase. TimsPy and TimsR build on top of OpenTIMS, enabling swift and user-friendly data access to the raw data with Python and R. Both programs are available under a GPL3 license on all major platforms, extending the possibility to interact with timsTOF data to macOS. Additionally, OpenTIMS is capable of translating Bruker data into HDF5 files that can be easily analyzed from Python with the vaex module. OpenTIMS and TimsPy therefore provide easy and quick access to Bruker timsTOF raw data.

pubs.acs.org

Chris Ashwood@cashwood.proteaglyco.com · last yr.

Had a chance to look at glycomics timstof raw files, huge potential with the additional ion mobility space The IM data is a double edged sword since most software don’t handle that dimension well. I know about timsrust, any other recommended data analysis software (other than Bruker’s)?