Dataset Information

An interoperability framework for multicentric breath metabolomic studies

ABSTRACT: Exhaled breath contains valuable information at the molecular level and offers promising potential for precision medicine. However, few breath tests transition to routine clinical practice, partly because of the missing validation in multicenter trials. Therefore, we developed and applied an interoperability framework for standardized multicenter data acquisition and processing for breath analysis with secondary electrospray ionization-high resolution mass spectrometry. We aimed to determine the technical variability and metabolic coverage. Comparison of multicenter data revealed a technical variability of ∼20% and a core signature of the human exhaled metabolome consisting of ∼850 features, corresponding mainly to amino acid, xenobiotic, and carbohydrate metabolic pathways. In addition, we found high inter-subject variability for certain metabolic classes (e.g., amino acids and fatty acids), whereas other regions such as the TCA cycle were relatively stable across subjects. The interoperability framework and overview of metabolic coverage presented here will pave the way for future large-scale multicenter trials.

INSTRUMENT(S): Direct infusion MS - positive, Direct infusion MS - negative

SUBMITTER: Kapil Dev Singh

PROVIDER: MTBLS5657 | MetaboLights | 2022-10-27

REPOSITORIES: MetaboLights

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			Action	DRS
	MTBLS5657	Other
	FILES	Other
	a_MTBLS5657_DI-MS_negative__metabolite_profiling.txt	Txt
	a_MTBLS5657_DI-MS_positive__metabolite_profiling.txt	Txt
	files-all.json	Other

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Publications

An interoperability framework for multicentric breath metabolomic studies.

Gisler Amanda A Singh Kapil Dev KD Zeng Jiafa J Osswald Martin M Awchi Mo M Decrue Fabienne F Schmidt Felix F Sievi Noriane A NA Chen Xing X Usemann Jakob J Frey Urs U Kohler Malcolm M Li Xue X Sinues Pablo P

iScience 20221115 12

Exhaled breath contains valuable information at the molecular level and offers promising potential for precision medicine. However, few breath tests transition to routine clinical practice, partly because of the missing validation in multicenter trials. Therefore, we developed and applied an interoperability framework for standardized multicenter data acquisition and processing for breath analysis with secondary electrospray ionization-high resolution mass spectrometry. We aimed to determine the ...[more]

PMID: 36479147

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