Data for: The salivary metabolome of children and parental caregivers in a large-scale family environment study

Human metabolism is complex and dynamic and is impacted by genetics, diet, health, and countless inputs from the environment. Beyond the genetics shared by family members, cohabitation leads to shared microbial and environmental exposures. Furthermore, metabolism is affected by factors such as inflammation, antibiotic potential, environmental tobacco smoke (ETS) exposure, metabolic regulation, and environmental exposure to heavy metals within the home. Metabolomics represents a useful analytical method to assay the metabolism of individuals to find potential biomarkers for metabolic conditions that may not be phenotypically obvious or represent unknown physiological processes. As such, we applied untargeted LC-MS metabolomics to archived saliva samples from a racially diverse group of elementary school-aged children and their caregivers collected during the “90-month” assessment of the Family Life Project. We assayed a total of 1,425 saliva samples of which 1,344 were paired into 672 ca..., , , # Data for: Salivary metabolomics in the family environment: A large-scale study investigating oral metabolomes in children and their parental caregivers

This file contains the full unedited mass spectrometry data for each sample, quality control pool samples, and blank samples.

Each column header is as follows:

* \"Sample_ID\": The sample name. Samples have numerical identifiers, \"Blank\" is a method blank sample, and \"QCPool\" are quality control sample.
* \"Identifier\": A unique identifier corresponding to the mass/charge ratio and retention time.
* \"Annotation\": The annotated name of each compound.
* \"Species\": The ionization species of the molecule detected.
* \"MSI Level\": The confidence of classification accuracy for each annotation:
* MSI level 1 is MSMS + accurate precursor mz + rt match
* MSI level 2 is MSMS + accurate precursor mz but no rt match
* MSI level 3 is an accurate precursor mz + rt match
* MSI level 4 is Sugar Class-specific, exact Su...