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MetabolomicsStable Isotope–Assisted Plant Metabolomics: Combination of Global and Tracer-Based Labeling for Enhanced Untargeted Profiling and Compound Annotation
Untargeted approaches and thus biological interpretation of metabolomics results are still hampered by the reliable assignment of the global metabolome as well as classification and (putative) identification of metabolites. In this work we present an liquid chromatography-mass spectrometry (LC-MS)-b...
2020-02-09 | MTBLS1217 | MetaboLights
MetabolomicsGNPS - Untargeted plant metabolomics: Evaluation of lyophilization as sample preparation technique
Data for publication "Untargeted plant metabolomics: Evaluation of lyophilization as sample preparation technique" of Christina Maisl, Maria Doppler, Bernhard Seidl, Christoph Bueschl and Rainer Schuhmacher.
ORGANISM(S): Wheat Cultivar Remus 
2023-04-21 | MSV000091769 | GNPS
MetabolomicsGNPS - Dilution series experiment of native and 13C-labelled Remus wheat ear extracts
Data for Publication "Accuracy and linearity of relative and comparative quantification in untargeted metabolomics" of Christina Maisl, Rainer Schuhmacher and Christoph Bueschl
ORGANISM(S): Wheat Cultivar Remus 
2024-08-13 | MSV000095588 | GNPS
MetabolomicsStable Isotope-Assisted Metabolomics for Deciphering Xenobiotic Metabolism in Mammalian Cell Culture
Xenobiotics are ubiquitous in the environment and modified abundantly in the human body by phase I and II metabolism. Liquid chromatography coupled to high resolution mass spectrometry is a powerful tool to investigate these biotransformation products. Here, we present a workflow based on stable iso...
2020-04-14 | MTBLS1358 | MetaboLights
MetabolomicsElucidation of xenoestrogen metabolism by non-targeted, stable isotope-assisted mass spectrometry in breast cancer cells

Environmental exposure to xenoestrogens, i.e., chemicals that imitate the hormone 17β-estradiol, has the potential to influence hormone homeostasis and action. Detailed knowledge of xenobiotic biotransformation processes in cell models is key when transferring knowledge learned from in vitro<...

2023-10-26 | MTBLS2716 | MetaboLights
ProteomicsDegradation of native and 13C-labelled linolenic acid and linoleic acid in Nitrosomonas europaea Nm 50 cultures
Nitrosomonas Europaea Nm50 culture

- concentrated ~600 ml culture to 280 ml mother culture
- let acclimate back to 26C for ~1h without substrate
- add 1 mM NH4Cl (final concentration) to mother culture bottle:
- T0 M1 - 15:30,
T1 M1 - 16:30 (working, already nitrite visible...
ORGANISM(S): Nitrosomonas Europaea (ncbitaxon:915) 
2026-01-05 | MSV000100368 | MassIVE
ProteomicsDegradation of native and labelled linolenic acid by N. europaea
Nitrosomonas europaea Nm50 BNI degradation experiment:
- concentrate ~ 600 ml culture
- resuspend to make motherculture - 270 ml (need 255 for experiments)
- let acclimate back to 26C for ~20min- 1h without substrate
- add 1 mM NH4Cl (final concentration) to mother culture bottle:
ORGANISM(S): Nitrosomonas Europaea (ncbitaxon:915) 
2026-01-08 | MSV000100409 | MassIVE
ProteomicsNitrosomonas europaea Nm50 BNI degradation experiment - MBOA and D-DMPP
Nitrosomonas europaea Nm50 BNI degradation experiment - MBOA and D-DMPP
- concentrate ~ 600 ml culture
- resuspend to make mother-culture - 50 ml in 100 ml shot bottle. Feed 1 mM NH4Cl (final concentration) to mother culture bottle to keep active till 25th and setup
- Keep at 28C overnig...
ORGANISM(S): Nitrosomonas Europaea (ncbitaxon:915) 
2026-01-23 | MSV000100561 | MassIVE
MetabolomicsGC-MS based targeted metabolic profiling identifies changes in the wheat metabolome following deoxynivalenol treatment
Fusarium graminearum and related species commonly infest grains causing the devastating plant disease Fusarium head blight (FHB) and the formation of trichothecene mycotoxins. The most relevant toxin is deoxynivalenol (DON), which acts as a virulence factor of the pathogen. FHB is difficult to contr...
2014-10-17 | MTBLS112 | MetaboLights
MetabolomicsGNPS - Ethanolic extracts of unlabeled and 13C labeled yeast and mixtures thereof
Ethanolic extracts of unlabeled and fully 13C labeled yeast (Pichia pastoris) and mixtures thereof were measured on HILIC and C18 (Dual injection system with HILIC eluting until 15 min and RPC after 15 min).
ORGANISM(S): Komagataella Phaffii (ncbitaxon:460519) 
2022-03-08 | MSV000089018 | GNPS
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