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MetabolomicsPublic LC-Orbitrap-MS/MS Spectral Library for Metabolite Identification

Liquid chromatography-mass spectrometry (LC-MS)-based untargeted metabolomics studies require high-quality spectral libraries for reliable metabolite identification. We have constructed EMBL-MCF (European Molecular Biology Laboratory-Metabolomics Core Facility), an open LC-MS/MS spectral library ...

2020-09-28 | MTBLS1861 | MetaboLights
MetabolomicsStreamlining LC-MS/MS Data Analysis in R with Open-Source *xcms* and *RforMassSpectrometry*: An End-to-End Workflow

Despite untargeted LC-MS/MS data being a powerful approach for large-scale metabolomics analysis, a significant challenge in the field lies in the reproducible and efficient analysis of such data, in particular. The power of R-based analysis workflows lies in their high customizability and adapta...

2024-08-26 | MTBLS8735 | MetaboLights
MetabolomicsHigh-resolution LC-MS/MS lipidomics characterization of wild-type and ATG7-deficient mouse renal proximal tubule cells
This study provides an untargeted lipidomics investigation of ATG7-deficient (cKO) mouse renal proximal tubule cells compared to wild-type (WT) controls to evaluate lipidomic alterations associated with autophagy deficiency. Lipids were extracted from cell culture wells using a single-phase isopropa...
2026-09-30 | MTBLS15861 | MetaboLights
ProteomicsFast and accurate bacterial species identification in biological samples using LC-MS/MS mass spectrometry and machine learning (DDA dataset)
We have developed a new strategy for identifying bacterial species in biological samples using specific LC-MS/MS peptidic signatures. In the first training step, deep proteome coverage of bacteria of interest is obtained in Data Independent Acquisition (DIA) mode, followed by the use of machine lear...
ORGANISM(S): Citrobacter Freundii (ncbitaxon:546) Streptococcus Agalactiae 2603v/r (ncbitaxon:208435) Staphylococcus Aureus Subsp. Aureus Nctc 8325 (ncbitaxon:93061) Streptococcus Mitis (ncbitaxon:28037) Klebsiella Oxytoca (ncbitaxon:571) Staphylococcus Epidermidis Atcc 12228 (ncbitaxon:176280) Enterococcus Faecalis V583 (ncbitaxon:226185) Enterobacter Aerogenes Kctc 2190 (ncbitaxon:1028307) Proteus Mirabilis (ncbitaxon:584) Escherichia Coli K-12 (ncbitaxon:83333) Enterobacter Cloacae (ncbitaxon:550) Klebsiella Pneumoniae Subsp. Pneumoniae Mgh 78578 (ncbitaxon:272620) Pseudomonas Aeruginosa Pao1 (ncbitaxon:208964) Staphylococcus Saprophyticus Subsp. Saprophyticus Atcc 15305 (ncbitaxon:342451) Staphylococcus Haemolyticus Jcsc1435 (ncbitaxon:279808) 
2019-05-16 | MSV000083784 | MassIVE
ProteomicsFast and accurate bacterial species identification in biological samples using LC-MS/MS mass spectrometry and machine learning (DIA dataset)
We have developed a new strategy for identifying bacterial species in biological samples using specific LC-MS/MS peptidic signatures. In the first training step, deep proteome coverage of bacteria of interest is obtained in Data Independent Acquisition (DIA) mode, followed by the use of machine lear...
ORGANISM(S): Citrobacter Freundii (ncbitaxon:546) Streptococcus Agalactiae 2603v/r (ncbitaxon:208435) Staphylococcus Aureus Subsp. Aureus Nctc 8325 (ncbitaxon:93061) Streptococcus Mitis (ncbitaxon:28037) Klebsiella Oxytoca (ncbitaxon:571) Staphylococcus Epidermidis Atcc 12228 (ncbitaxon:176280) Enterococcus Faecalis V583 (ncbitaxon:226185) Enterobacter Aerogenes Kctc 2190 (ncbitaxon:1028307) Proteus Mirabilis (ncbitaxon:584) Escherichia Coli K-12 (ncbitaxon:83333) Enterobacter Cloacae (ncbitaxon:550) Klebsiella Pneumoniae Subsp. Pneumoniae Mgh 78578 (ncbitaxon:272620) Pseudomonas Aeruginosa Pao1 (ncbitaxon:208964) Staphylococcus Saprophyticus Subsp. Saprophyticus Atcc 15305 (ncbitaxon:342451) Staphylococcus Haemolyticus Jcsc1435 (ncbitaxon:279808) 
2019-05-16 | MSV000083793 | MassIVE
ProteomicsHRMS1 DIA and DDA of Lyso-IP inputs from mouse gut epithelium and stem cells
These mouse gut lysates contained three sets, with Set A including 21 DDA experiments and 21 DIA experiments, Set C including 24 DDA and 24 DIA experiments, and Set G including 27 DDA RAWs and 26 DIA RAWs (one of the Set G DDA experiments was run twice). Experiment Set A was intended to compare lys...
ORGANISM(S): Mus Musculus (ncbitaxon:10090) 
2024-07-26 | MSV000095444 | MassIVE
ProteomicsLINE-1 ORF1p co-immunoprecipitations analyzed by DDA and two DIA methods
Using an anti-ORF1 monoclonal (clone 4H1; Milipore), four co-immunoprecipitations to enrich for LINE-1 ORF1p and its interactors as described in Di Stefano, L.H. et al. (https://doi.org/10.1007/978-1-0716-2883-6_12), from either HEK-293TLD (cells transfected with pMT646- containing a L1 sequence) or...
ORGANISM(S): Homo Sapiens (ncbitaxon:9606) 
2024-07-24 | MSV000095427 | MassIVE
UnknownInterrogating data-independent acquisition LC-MS/MS for affinity proteomics.
Not available
S-EPMC11452513 | biostudies-literature
UnknownDereplication of secondary metabolites from Sophora flavescens using an LC-MS/MS-based molecular networking strategy.
Not available
S-EPMC11933273 | biostudies-literature
ProteomicsMassIVE Dataset Submission - Alnus species
LC-MS/MS data used in a work titled "Assessing Specialized Metabolite Diversity of Alnus species by Digitized LC_MS/MS Data Analysis Workflow". Negative ion mode DDA data from 15 extracts of 4 Alnus species (barks, twigs, leaves, and fruits)
ORGANISM(S): Alnus Hirsuta Var. Sibirica (ncbitaxon:253220) Alnus Firma (ncbitaxon:109059) Alnus Japonica (ncbitaxon:109063) Alnus Hirsuta (ncbitaxon:109061) 
2019-08-12 | MSV000084202 | MassIVE
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