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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
MetabolomicsCreating a Reliable Mass Spectral–Retention Time Library for All Ion Fragmentation-Based Metabolomics

Accurate metabolite identification remains one of the primary challenges in a metabolomics study. A reliable chemical spectral library increases the confidence in annotation, and the availability of raw and annotated data in public databases facilitates the transfer of Liquid chromatography coupl...

2019-10-30 | MTBLS1040 | MetaboLights
MetabolomicsCustomized Consensus Spectral Library Building for Untargeted Quantitative Metabolomics Analysis with Data Independent Acquisition Mass Spectrometry and MetaboDIA Workflow
Data independent acquisition-mass spectrometry (DIA-MS) coupled with liquid chromatography is a promising approach for rapid, automatic sampling of MS/MS data in untargeted metabolomics. However, wide isolation windows in DIA-MS generate MS/MS spectra containing a mixed population of fragment ions t...
2018-03-26 | MTBLS417 | MetaboLights
MetabolomicsA high-resolution Orbitrap mass spectral library for trace volatile compounds in fruit wines
The overall aroma is an important factor of the sensory quality of fruit wines, which attributed to hundreds of volatile compounds. However, the qualitative determination of trace volatile compounds is considered to be very challenging work. GC-Orbitrap-MS with high resolution and high sensitivity p...
2022-08-12 | MTBLS3840 | MetaboLights
MetabolomicsMining for natural product antileishmanials in a fungal extract library
Leishmaniasis is a Neglected Tropical Disease caused by the insect-vector borne protozoan parasite, Leishmania species. Infection affects millions of the World’s poorest, however vaccines are absent and drug therapy limited. Recently, public-private partnerships have developed to identify new modes ...
2021-02-12 | MTBLS868 | MetaboLights
MetabolomicsThe Cancer-Associated Microbe Library reveals functional host-microbe interactions during colorectal cancer progression

Functional characterization of microbes which colonize CRC is impeded by a lack of bacterial strains from tumor tissues. Here, we report the Cancer-Associated Microbe Library (CAM-L), comprising more than 3,000 viable bacterial isolates, representing 121 distinct species, and 60 matching organoid...

2026-02-08 | MTBLS7385 | MetaboLights
ProteomicsA comprehensive spectral assay library to quantify the Halobacterium salinarum NRC-1 proteome by DIA/SWATH-MS
Data-Independent Acquisition (DIA) is a mass spectrometry-based method to reliably identify and reproducibly quantify large fractions of a target proteome. The peptide-centric data analysis strategy employed in DIA requires a priori generated spectral assay libraries. Such assay libraries allow to e...
ORGANISM(S): Halobacterium salinarum 
2023-09-21 | PXD042770 | Pride
Dia Data-independent acquisition Swath Halobacterium salinarum nrc-1 Spectral assay library Dda Data-dependent acquisition 
ProteomicsA comprehensive spectral assay library to quantify the Escherichia coli proteome by DIA/SWATH-MS
A comprehensive and high-quality E. coli spectral assay library for 56,182 proteotypic peptides mapped to 4,014 (91.5%) of the 4,389 annotated proteins using one- and two-dimensional fractionated samples, and ion mobility separation.
ORGANISM(S): Escherichia coli 
2020-10-19 | PXD020785 | Pride
Spectral assay library E. coli Dda-ms 
ProteomicsA comprehensive spectral assay library to quantify the Escherichia coli proteome by DIA/SWATH-MS
A comprehensive and high-quality E. coli spectral assay library for 56,182 proteotypic peptides mapped to 4,014 (91.5%) of the 4,389 annotated proteins using one- and two-dimensional fractionated samples, and ion mobility separation.
ORGANISM(S): Escherichia coli 
2020-10-19 | PXD020761 | Pride
Dia-ms Spectral assay library E. coli 
MetabolomicsMetaboKit: a comprehensive data extraction tool for untargeted metabolomics (Standard mixture assay)

We have developed MetaboKit, a comprehensive software package for compound identification and relative quantification in mass spectrometry-based untargeted metabolomics analysis. In data dependent acquisition (DDA) analysis, MetaboKit constructs a customized spectral library with compound identit...

2021-11-05 | MTBLS1311 | MetaboLights
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