PR001131 (Project)

Dcc Asset:

MW submission packet 20260310.zip

Processed File (Entity type)

Dcc:

Metabolomics

DCC (Entity type)

Child Project:

PPR00001

Project (Entity type)

Persistent Id:http://dx.doi.org/10.21228/M8HD7B

Description:Fourier transform ion cyclotron resonance (FT-ICR) and Orbitrap mass spectrometry (MS) are among the highest-performing analytical platforms in metabolomics. Their high mass measurement accuracy and mass resolving power enable detailed investigation of biological metabolomes. Non-targeted MS experiments, however, yield extremely complex datasets that make metabolite annotation very challenging, if not impossible. High-resolution accurate mass measurements greatly facilitate this process by reducing mass errors and spectral overlaps. When applied together with relative isotopic abundance (RIA) measurements, heuristic rules, and constraints during searches, the number of candidate elemental formula(s) can be significantly reduced. Here, we evaluate the performance of two leading analytical MS platforms, Orbitrap ID-X and 12T solariX FT-ICR mass spectrometers, in terms of mass accuracy and RIA measurements, and how these factors affect the assignment of the correct elemental formulae in metabolite annotation. Quality of the mass measurements was evaluated under various experimental conditions (resolution: 120 K, 240 K, 500 K; automatic gain control: 5e4, 1e5, 5e5) for the Orbitrap MS platform.

Results found

Linked to

	Label	Description
	SU001855 Subject (Entity type)	A subject from Metabolomics produced as part of the PR001131 project
	SA165002 Biosample (Entity type)	A biosample from Metabolomics produced as part of the PR001131 project
	SA164993 Biosample (Entity type)	A biosample from Metabolomics produced as part of the PR001131 project
	SA164998 Biosample (Entity type)	A biosample from Metabolomics produced as part of the PR001131 project
	SA164996 Biosample (Entity type)	A biosample from Metabolomics produced as part of the PR001131 project
	SA164995 Biosample (Entity type)	A biosample from Metabolomics produced as part of the PR001131 project
	SA165011 Biosample (Entity type)	A biosample from Metabolomics produced as part of the PR001131 project
	SA164991 Biosample (Entity type)	A biosample from Metabolomics produced as part of the PR001131 project
	SA165004 Biosample (Entity type)	A biosample from Metabolomics produced as part of the PR001131 project
	SA165000 Biosample (Entity type)	A biosample from Metabolomics produced as part of the PR001131 project