COPD_131: Example mass spectrometry dataset

In KechrisLab/MSPrep: Package for Summarizing, Filtering, Imputing, and Normalizing Metabolomics Data

Description

Data contains LC-MS metabolite analysis for samples from 131 subjects with 3 technical replicates per subject. The first three columns indicate "Mass" (mass-to-charge ratio), "Retention.Time", and "Compound.Name" for the 662 unique metabolites observed in the samples. The remaining columns indicate abundance for each of the 662 mass/retention-time combination for each subject/replicate combination.

Usage

data(COPD_131)

Format

Data frame containing 662 observations of 396 samples

Mass

Mass-to-charge ratio

Retention.Time

Retention-time

Compound.Name

Compound name for each mass/retention time combination

X10062C_1

The remaining columns indicate metabolite abundances found in each Subject/Replicate combination. Each column begins with an 'X', followed by the subject ID, and then the replicate (1, 2, or 3), each separated by '_'.

Source

https://www.metabolomicsworkbench.org/data/DRCCMetadata.php?Mode=Project&ProjectID=PR000438

References

Nichole Reisdorph (NaN). Untargeted LC-MS metabolomics analysis of human COPD plasma, HILIC & C18, metabolomics_workbench, V1.

This data is available at the NIH Common Fund's National Metabolomics Data Repository (NMDR) website, the Metabolomics Workbench, https://www.metabolomicsworkbench.org, where it has been assigned Project ID PR000438. The data can be accessed directly via its Project DOI: 10.21228/M8FC7C. This work is supported by NIH grant, U2C-DK119886.

Examples

data(COPD_131)

KechrisLab/MSPrep documentation built on Feb. 2, 2022, 2:43 a.m.