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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
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
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
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
MetabolomicsUPLC-QE-Orbitrap-MS-Based Metabolomics and Gut Microbiome Analysis to Reveal Codonopsis pilosula (Franch.) Nannf. Extract Improves Cyclophosphamide-Induced Immunosuppression in Mice

Immune system dysfunction leads to recurrent or severe infections, increased susceptibility to concurrent illnesses, and heightened risk of tumors. Current immunomodulators often carry side effects, whereas phytotherapy offers relative stability, making this therapeutic approach worthy of explora...

2026-02-03 | MTBLS13825 | MetaboLights
MetabolomicsImproving global feature detectabilities through scan range splitting for untargeted metabolomics by high-performance liquid chromatography-Orbitrap mass spectrometry
Untargeted metabolomics aims at obtaining quantitative information on the highest possible number of low-molecular biomolecules present in a biological sample. Rather small changes in mass spectrometric spectrum acquisition parameters may have a significant influence on the detectabilities of metabo...
2016-06-09 | MTBLS233 | 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
MetabolomicsHigh-resolution extracted ion chromatography, a new tool for metabolomics and lipidomics using a second-generation orbitrap mass spectrometer
Most analytical methods in metabolomics are based on one of two strategies. The first strategy is aimed at specifically analysing a limited number of known metabolites or compound classes. Alternatively, an unbiased approach can be used for profiling as many features as possible in a given metabolom...
2012-02-14 | MTBLS4 | MetaboLights
MetabolomicsAnnotation of the human adult urinary metabolome and metabolite identification using ultra high performance liquid chromatography coupled to a LTQ-Orbitrap mass spectrometer
This study deals with the annotation of the human adult urinary metabolome and metabolite identification from electrospray-mass spectrometry (ESI-MS) based metabolomics datasets. Metabolite identification was achieved using two complementary approaches: (i) formal identification by matching chromato...
2013-07-26 | MTBLS20 | MetaboLights
MetabolomicsUntargeted LC-MS metabolomics of redclaw crayfish gonads
Untargeted LC-MS metabolomics was performed on 20 Cherax quadricarinatus gonad samples in four groups n=5 each plus three pooled QC samples. Positive- and negative-ion mzXML files were generated using a Thermo Scientific Orbitrap Exploris 120. The submitted files contain centroided full-scan MS1 dat...
2026-09-04 | MTBLS15185 | MetaboLights
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