(IJMS) Unravelling the Deprotonation Isomers of Sulfobenzoic Acid Produced via Electrospray Ionization: A Combined Infrared Spectroscopy and Quantum Chemical Study: Publication date: Available online 10 October 2026

Source: International Journal of Mass Spectrometry

Author(s):… #ijms #MassSpecRSS

(JPR) onsite: An
Integrated Framework for Phosphosite Localization
and False Localization Rate Estimation: AbstractWith the rapid development of mass spectrometry-based
proteomics,
the volume of phosphoproteomic data has increased substantially. However,
accurate localization of… #MassSpecRSS

(A Chem) Improving Molecular Formula Assignment of Nitrogen- and Sulfur-Rich DOM in Ultrahigh-Resolution Mass Spectrometry: Validation of Oligopeptides: AbstractMolecular formula (MF) assignment in ultrahigh-resolution mass spectrometry (UHRMS) analyses of dissolved organic matter… #MassSpecRSS

(A Chem) Proteoform-Resolved Interaction Mapping of Target Protein Complexes in Living Cells via Tracelessly Releasable Cross-Linking: AbstractProteoform-resolved interaction analysis is critical for understanding the functional diversity of multiple proteoforms from the same gene and… #MassSpecRSS

(A Chem) Chiral Analysis of 2-Hydroxyglutarate in IDH-mut Glioma Tissue using the Kinetic Method: AbstractIn almost all biological systems, stereochemistry is an important aspect of the molecular structure. Aberrant molecular geometry can be a reflection of the disease state which is… #MassSpecRSS

(J Chrom A) Extending the separation space in online comprehensive two-dimensional liquid chromatography-mass spectrometry through second-dimension column switching: application to Tamarindus indica L.: Publication date: Available online 9 October 2026

Source: Journal of… #JChrom #MassSpecRSS

(J Phys Chem A) Unveiling the Collision-Induced
Dissociation Pathways
of Protonated PO3G Dimer: An Integrated Energy-Resolved MS and Quantum
Chemical Study: AbstractPoly(trimethylene ether) glycol (PO3G) is a relevant
biobased polyether
whose combination of terminal hydroxyl groups and… #MassSpecRSS

(TrAC) Artificial intelligence-enabled mass spectrometry-based metabolomics: current status and future prospects: Publication date: Available online 10 October 2026

Source: TrAC Trends in Analytical Chemistry

Author(s): Fengyang Jing, Mingchao Wang, Liliang Wen, Xinyu Liu,… #TrAC #MassSpecRSS

(J Proteom) Sensitive detection of 4-hydroxy-2-nonenal-modified proteins in oxidative stress-related diseases: Publication date: Available online 9 October 2026

Source: Journal of Proteomics

Author(s): Darío Méndez-Cuadro, Ali N. Kamali, Clara Ruiz, Susana Pérez-Benavente, María… #MassSpecRSS

(J Sep Sci) Evaluation of a Hydrophilic Interaction Liquid Chromatography Design Space for Amino Acids: Screening 20 amino acids on 18 polar stationary phases produces a dataset that can be re-queried for any analyte subset, returning the optimal column without new… #JSepSci #MassSpecRSS

(JPR) Evaluating
a Lightweight Neural Network for Aggregate
Isotope Distribution Prediction: AbstractIsotope distribution prediction is an important part
of mass spectrometry
data analysis. A variety of strategies have been developed, including
brute-force polynomial methods and… #MassSpecRSS

(A Chem) Single-Cell Mass Spectrometry with Enhanced Coverage of cis -Diol Metabolites via a Reactive Pulled Flowprobe in Static-Zone Enrichment Sampling Mode: AbstractSingle-cell mass spectrometry (MS) faces significant challenges in covering low-abundance and poorly ionizable… #MassSpecRSS

(A Chem) xTracer: Integrating Chromatogram and Mobilogram Correlations for Untargeted Peptide Identification in SLIM-Based PAMAF Data: AbstractParallel accumulation with mobility-aligned fragmentation (PAMAF) achieves near-complete ion utilization and high spectral specificity by… #MassSpecRSS

(A Chem) The Au−TiO 2 Janus Material Enables Integration of Serum Exosome Capture with Palmitoylated and Phosphorylated Peptide Enrichment for Non-Small Cell Lung Cancer Profiling: AbstractAn Au−TiO2 Janus material was designed to integrate exosome capture with dual post-translational… #MassSpecRSS

(A Chem) A Cooperative
Matrix for Enhanced MALDI MSI of Metabolic
Alterations Associated with Oxidative Stress in Spinal Cord Injury: AbstractOxidative
stress following spinal cord injury (SCI) triggers diverse
metabolic alterations, including those in the acrolein (ACR)-associated… #MassSpecRSS

(ACA) Differentiation of Tetracycline Isomers by Cyclodextrin-Enhanced Ion Mobility-Mass Spectrometry with Computational Insights: Publication date: Available online 8 October 2026

Source: Analytica Chimica Acta

Author(s): Zuowei Huang, Yao Pan, Naisheng Wu, Fangling Wu,… #AChimActa #MassSpecRSS

(J Chrom A) Mass Spectrometry‑Based Chemoproteomics for Modern Drug Screening: A Critical Review and the 3M Framework (Match–Map–Mine): Publication date: Available online 8 October 2026

Source: Journal of Chromatography A

Author(s): Fuyan Liu, Haolin Zhang, Ying Qu, Haojie… #JChrom #MassSpecRSS

(JASMS) TherMIDAS: An Integrated
Data Acquisition System for
FT-ICR Mass Spectrometry: AbstractOver
30 years ago, the Modular ICR Data Acquisition System
(MIDAS)
was assembled, developed, and deployed on the then-new Fourier transform
ion cyclotron resonance mass spectrometry… (RSS) #MassSpecRSS

(JASMS) IsoPairFinder: A Computational
Workflow for Prioritizing
LC–MS Feature Pairs Representing Candidate Microbial Pathway
Intermediates from Stable Isotope Tracing Metabolomics: AbstractFunctional annotation of microbial genes lags behind
the pace of
genome sequencing,… (RSS) #MassSpecRSS

(JASMS) Influence of Gas Flow on Ion Transport in PTR-MS Drift
Tubes Using an Electro-Hydrodynamic Coupled Model: AbstractProton transfer reaction
mass spectrometry (PTR-MS) is widely used
for the real-time detection of volatile organic compounds (VOCs).
Previous efforts to… (RSS) #MassSpecRSS