DOI: 10.5061/dryad.66t1g1k88
title: Data for: The salivary metabolome of children and parental caregivers in a large-scale family environment study

description: 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 caregiver/child
 dyads. We compared the metabolomes of children (N = 719) and caregivers (N
 = 706) within and between homes, performed population-wide “metabotype”
 analyses, and measured associations between metabolites and salivary
 biomeasures of inflammation, antioxidant potential, ETS exposure,
 metabolic regulation, and heavy metals. Dyadic analyses revealed
 that children and their caregivers have largely similar salivary
 metabolomes. Although there were differences between the dyads at the
 individual levels of analysis, dyads explained most (62%) of the
 metabolome variation. At a population level of analysis, our data
 clustered into two large groups, indicating that people likely share most
 of their metabolomes, but that there are distinct “metabotypes” across
 large sample sets. Lastly, individual differences in several metabolites –
 which were putative oxidative damage-associated or pathological markers –
 were significantly correlated with salivary measures indexing
 inflammation, antioxidant potential, ETS exposure, metabolic regulation,
 and heavy metals. Implications of the effects of family environment on
 metabolomic variation at the population, dyadic, and individual levels of
 analyses for health and human development are discussed.
description: # 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 Sugar not confirmed
 with rt * MSI level 5 is unknown * "m/z": The mass/charge ratio
 for each molecule. * "ESI mode": Electrospray Ionization mode
 for each molecule. * "RT": The retention time in seconds for
 each molecule. Note that the West Coast Metabolomics Center adds internal
 standards for mass calibration. Those samples are marked "iSTD"
 and colored RED in the data. Peak heights are unitless. Empty cells
 represent no data present, not a true "zero." More information
 about the West Coast Metabolomics Center and their methods can be found
 here: https://metabolomics.ucdavis.edu/