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MetabolomicsUnknown Metabolite Annotation in Mouse Aging using Ion Mobility Collision Cross-Section Atlas (AllCCS)

The metabolome includes not just known but also unknown metabolites; however, metabolite annotation remains the bottleneck in untargeted metabolomics. Ion mobility – mass spectrometry (IM-MS) has emerged as a promising technology by providing multi-dimensional characterizations of metabolites. He...

2020-07-28 | MTBLS1622 | MetaboLights
MetabolomicsKnown Metabolite Annotation in Different Biological Samples using Ion Mobility Collision Cross-Section Atlas (AllCCS)

The metabolome includes not just known but also unknown metabolites; however, metabolite annotation remains the bottleneck in untargeted metabolomics. Ion mobility – mass spectrometry (IM-MS) has emerged as a promising technology by providing multi-dimensional characterizations of metabolites. He...

2020-07-28 | MTBLS1693 | MetaboLights
MetabolomicsUntargeted Discovery in Primary Metabolism: Collision Cross Section as a Molecular Descriptor in Ion Mobility Spectrometry
Not available
ORGANISM(S): Chemical Standards 
ST001030 | MetabolomicsWorkbench
MetabolomicsPIXiE: An Algorithm for Automated Ion Mobility Arrival Time Extraction and Collision Cross Section Calculation using Global Data Association
Not available
ORGANISM(S): Standard 
ST000602 | MetabolomicsWorkbench
MetabolomicsCesarean section alters the postnatal development of the gut microbiome and metabolome of male Wistar rats

Background: The gut microbiome, a complex community of bacteria, viruses, fungi, and protozoa, matures alongside its host. In humans, the birth mode, vaginal delivery (VD) or cesarean section (CS), is a major determinant of early microbial colonization. However, it remains unclea...

2026-07-30 | MTBLS7384 | MetaboLights
ProteomicsPeptide collision cross section of 22 post-translational modifications
The present study investigates the ion mobility characteristics of synthetic peptides carrying 22 different post-translational modifications by Ion Mobility-Mass Spectrometry. Samples were kindly provided by the ProteomeTools project.
ORGANISM(S): Homo sapiens (Human) 
2023-08-25 | PXD042416 | Pride
Tims Ptm Post-translational modifications Collision cross section Ccs Ion mobility 
UnknownMetabolite collision cross section prediction without energy-minimized structures.
Not available
S-EPMC7423765 | biostudies-literature
ProteomicsDemo datasets for AutoCCS: Automated collision cross section calculation software for ion mobility spectrometry-mass spectrometry
Agilent Tunemix samples analyzed on three IMS-MS platforms with nitrogen gas: 1) stepped-field drift tube IMS-MS, 2) single-field drift tube IMS-MS, and 3) SLIM-based IMS-MS. Also, tetraalkylammonium (TAA) salt samples analyzed with SLIM-based IMS-MS using helium gas.
ORGANISM(S): Unclassified Sequences (ncbitaxon:12908) 
2020-08-19 | MSV000085979 | MassIVE
UnknownEvaluating the generalizability of graph neural networks for predicting collision cross section.
Not available
S-EPMC11363525 | biostudies-literature
UnknownPrediction of Collision Cross Section Values: Application to Non-Intentionally Added Substance Identification in Food Contact Materials.
Not available
S-EPMC8815070 | biostudies-literature
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