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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
MetabolomicsUntargeted Metabolomics of Mouse Platelet Pellets by LC-MS/MS
In this study, platelet pellets were isolated from mouse peripheral blood through gradient centrifugation to obtain high-purity platelet samples. Liquid chromatography-tandem mass spectrometry (LC-MS/MS)-based untargeted metabolomics was performed to comprehensively profile the global metabolic chan...
2026-08-04 | MTBLS15244 | MetaboLights
MetabolomicsLC-MS/MS metabolomics unravels the resistant phenotype of carbapenemase-producing Enterobacteriaceae

Introduction: The degree of antimicrobial resistance demonstrated by carbapenemase-producing Enterobacteriaceae (CPE) represents a growing public health challenge. Conventional methods for detecting CPE involve culture-based techniques with lengthy incubation steps. There is a ne...

2025-08-04 | MTBLS10129 | MetaboLights
MetabolomicsA Comprehensive and Ultrasensitive Isotope Calibration Method for Soil Amino Compounds Using Orbitrap Mass Spectrometry
Bound amino compounds (amino acid and amino sugar polymers) comprise a significant proportion (~40%) of soil organic nitrogen and therefore represent an essential source of nitrogen for plant and microbial nutrition. The analysis of their content and isotope enrichment still represents a significant...
2025-06-16 | MTBLS12550 | MetaboLights
OtherA double-barrel LC-MS/MS system to quantify 96 interactomes per day.
Data from ProteomeXchange, PXD ID: PXD001695. File: 20140827_EXQ00_FaHo_SA_SWI3_03.mzml. Published as part of Mol Cell Proteomics. 2015 Apr 17 . From the Abstract: {{i}} ... Here we develop a high-throughput workflow capable of dealing with large numbers of low or medium complexity samples and spec...
ORGANISM(S): Yeast 
GPM11210038526 | GPMDB
Resource Reanalysis 
MetabolomicsComparison of singlequad and Orbitrap mass analyzer coupled to gas chromatography reveals potential of high resolution GC MS for untargeted metabolomics

The development of improved spectrometers and supporting computational tools is expected to eventually enable the rapid annotation of whole metabolomes. However, rarely are novel mass spectrometers directly compared to the previously used ones in the field of metabolomics, thus preventing researc...

2020-01-24 | MTBLS1104 | MetaboLights
ProteomicsMolecular dissection and testing of PRSS37 function through LC-MS/MS and the generation of a PRSS37 humanized mouse model
LC-MS/MS of Prss37 WT and KO mice male reproductive tract. Title: Molecular dissection and testing of PRSS37 function through LC-MS/MS and the generation of a PRSS37 humanized mouse model Authors: Courtney Sutton1,2, Kaori Nozawa1,2, Katarzyna Kent1,2, Alexander Saltzman3, Mei Leng3, Sureshbabu Na...
ORGANISM(S): Mus Musculus (ncbitaxon:10090) 
2023-04-07 | MSV000091662 | MassIVE
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
MetabolomicsMetabolic profiling with UPLC-MS orbitrap of diatoms Coscinodiscus granii infected with parasitic oomycete Lagenisma coscinodisci
The bloom-forming diatoms Coscinodiscus granii were cultivated in a non-contact dual cultivation apparatus. This device allows the exchange of exudates, without transfer of any microorganisms, allowing the investigation of both endo- and exo-metabolome. The treatment consisted in infecting diatom ce...
2019-09-23 | MTBLS775 | MetaboLights
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