Summary of Study ST003706

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 PR002287. The data can be accessed directly via it's Project DOI: 10.21228/M80Z5F This work is supported by NIH grant, U2C- DK119886.

See: https://www.metabolomicsworkbench.org/about/howtocite.php

This study contains a large results data set and is not available in the mwTab file. It is only available for download via FTP as data file(s) here.

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Study IDST003706
Study TitleCross-sectional salivary metabolomics of the OPERA corhort
Study SummaryThis study is part of a multi-part study, including salivary metabolomics of 4 patient cohorts.
Institute
Ghent University
Last Namecallemeyn
First Nameemile
AddressSalisburylaan 133? 9820 Merelbeke, Belgium
Emailemile.callemeyn@ugent.be
Phone0473271636
Submit Date2025-01-27
Raw Data AvailableYes
Raw Data File Type(s)mzXML
Analysis Type DetailLC-MS
Release Date2025-07-07
Release Version1
emile callemeyn emile callemeyn
https://dx.doi.org/10.21228/M80Z5F
ftp://www.metabolomicsworkbench.org/Studies/ application/zip

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Project:

Project ID:PR002287
Project DOI:doi: 10.21228/M80Z5F
Project Title:The childhood salivary metabolome reflects inter-individual variation in weight status, lifestyle, and mental wellbeing
Project Type:(Un)targeted MS
Project Summary:Saliva is an emerging biofluid in metabolomics as it provides a similar window into biological information as blood, while enabling repetitive and non-invasive sampling. Here, the salivary metabolome of 965 children (7-17y) from 2 European countries was comprehensively analyzed using ultra-high performance liquid chromatography coupled to high-resolution mass spectrometry providing >3,500 untargeted features and 188 consistently detected metabolites. Correlation analysis with anthropometric, mental wellbeing, lifestyle and dietary data revealed that weight status and age reflected the salivary metabolome best, with functional analysis demonstrating alterations in multiple pathways. These findings were replicated in 2 validation cohorts involving 471 children (8-18y) confirming previously reported blood biomarkers and new molecules. For example, acesulfame K, an artificial sweetener detected in all cohorts, increased with weight and mental distress, while correlating to specific food/beverage consumption. Our data offer a high-quality repository of the pediatric salivary metabolome for providing guidance in exploring its association with children's health.
Institute:Ghent University
Department:Department of Translational Physiology, Infectiology and Public Health
Laboratory:Laboratory of Integrative Metabolomics
Last Name:callemeyn
First Name:emile
Address:Salisburylaan 133, 9820, Merelbeke, Belgium
Email:emile.callemeyn@ugent.be
Phone:0032473271636
Funding Source:Fonds Wetenschappelijk Onderzoek

Subject:

Subject ID:SU004164
Subject Type:Human
Subject Species:Homo sapiens
Taxonomy ID:9606
Gender:Male and female

Factors:

Subject type: Human; Subject species: Homo sapiens (Factor headings shown in green)

mb_sample_id local_sample_id Sample source Weight Age Gender Height Weight Waist BMI BMIz FatP WtoH Puberty WetoH PSS (z-score) CDI (z-score) ZHaircortisol_trans_xl13 Zscore (mental) Stress Sport EE Z-score (EE) ExtE Z-score (ExtE) Znegaffectpanas_log veg1 veg2 veg3 veg4 veg5 fruit1 fruit2 drink1 drink2 drink3 drink4 drink5 coffee coffee1 coffee2 tea1 tea2 breakf1 milk1 milk2 yogh1 yogh2 milkkind yoghkind fish1 fish2 fish3 meat1 meat2 meat3 meat4 meat5 egg1 egg2 egg3 soy cheese1 cheese2 cheese3 cheesekind spread1 spread2
SA463876QC2.1Saliva - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - -
SA463877QC1.1Saliva - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - -
SA463878QC1.10Saliva - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - -
SA463879QC1.11Saliva - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - -
SA463880QC1.12Saliva - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - -
SA463881QC1.13Saliva - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - -
SA463882QC1.14Saliva - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - -
SA463883QC1.2Saliva - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - -
SA463884QC1.3Saliva - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - -
SA463885QC1.5Saliva - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - -
SA463886QC1.6Saliva - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - -
SA463887QC1.7Saliva - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - -
SA463888QC1.8Saliva - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - -
SA463889QC1.9Saliva - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - -
SA463890QC1.4Saliva - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - -
SA463891QC2.10Saliva - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - -
SA463892QC2.2Saliva - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - -
SA463893QC2.8Saliva - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - -
SA463894QC2.7Saliva - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - -
SA463895QC2.6Saliva - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - -
SA463896QC2.5Saliva - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - -
SA463897QC2.4Saliva - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - -
SA463898QC2.3Saliva - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - -
SA463899QC2.9Saliva - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - -
SA463900QC2.13Saliva - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - -
SA463901QC2.11Saliva - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - -
SA463902QC2.14Saliva - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - -
SA463903QC2.12Saliva - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - -
SA4639041361Saliva Normal Weight 11 1 140.9 31.3 58 15.77 -0.665 16.9 0.41 0 0.222 -0.130186047 -0.810146381 -1.420420122 -0.959260538 Moderate stress 10 2.846153846 0.761256613 3.6 0.695405781 -0.01892811 1 3 2 3 1 4 1 5 1 2 2 2 4 1 1 1 1 1 6 1 1 1 2 4 1 1 1 3 1 1 3 1 2 2 3 1 2 0 0 2 1 3
SA4639051371Saliva Normal Weight 11 1 151.2 40.1 65.3 17.54 0.035 20.4 0.43 1 0.265 -1.062044066 -0.322624665 -0.316935322 -3.334630876 Low stress 3 1.307692308 -0.937520727 2.6 -0.8232965 -1.949962144 2 4 2 4 4 1 1 7 1 2 2 2 4 1 1 1 1 2 5 2 2 1 2 3 1 2 2 4 4 2 2 1 2 1 1 1 2 1 0 1 1 2
SA4639061511Saliva Normal Weight 11 2 144.7 34.1 55.3 16.29 -0.495 20.7 0.38 1 0.236 -2.18027369 -1.460175336 -0.913326008 -4.33218073 Low stress 1 1 -1.277276195 3.4 0.391665325 -0.691731704 1 3 1 4 2 3 4 4 4 4 2 1 4 1 1 1 1 2 2 2 1 3 2 2 1 2 2 2 1 2 2 2 1 1 2 1 1 1 2 3 2 1
SA4639071391Saliva Normal Weight 11 2 145.5 32.3 53 15.26 -1.018 17.4 0.36 1 0.222 -0.316557651 -0.97265362 -0.204571127 -1.560976674 Moderate stress 0 2.153846154 -0.00319319 2.7 -0.671426272 -0.271765404 1 3 2 4 3 4 4 2 4 2 1 1 4 1 1 1 1 2 3 3 3 3 3 3 1 2 1 2 4 2 3 1 2 1 2 3 2 1 0 1 2 2
SA4639081381Saliva Normal Weight 11 2 146.1 37.9 63.8 17.76 0.116 23.7 0.44 0 0.259 0.428928765 -0.647639143 0.812705575 0.797485753 Moderate stress 3.75 1 -1.277276195 1.2 -2.949479693 1.016196131 2 2 1 2 3 6 2 5 3 1 1 1 4 1 1 1 1 1 1 1 5 4 2 2 1 2 1 2 1 1 2 1 1 2 1 1 4 1 4 1 1 4
SA4639092342Saliva Normal Weight 11 2 153.5 41.2 62 17.49 0.014 19.2 0.4 1 0.268 -0.130186047 -0.322624665 2.232528724 -0.998506666 Moderate stress 6.5 2.923076923 0.84619548 3.2 0.087924869 -0.545695954 1 3 2 3 2 1 2 4 4 3 2 3 4 1 1 1 1 3 1 1 2 2 4 0 1 1 2 3 1 3 3 0 2 1 1 1 2 2 0 2 0 4
SA4639101431Saliva Normal Weight 12 1 160.9 45.2 66.5 17.46 -0.044 16 0.41 1 0.281 -1.062044066 -1.135160859 -0.756391308 -1.869995986 Moderate stress 4.83 1.076923077 -1.192337328 3.4 0.391665325 0.32720894 1 3 2 3 2 3 3 7 2 2 1 1 4 1 1 2 1 4 4 2 1 1 3 4 2 2 2 2 2 2 2 2 1 1 1 1 1 1 0 3 2 2
SA4639111742Saliva Normal Weight 12 2 148.2 37.2 62 16.94 -0.284 21.9 0.42 1 0.251 -0.875672462 -1.297668098 -1.307010787 -3.524328361 Low stress 4 1 -1.277276195 4.3 1.758497378 -1.350987801 1 2 1 2 3 4 1 6 1 1 2 1 4 1 1 4 1 1 5 1 1 3 2 2 1 2 2 2 2 2 2 2 2 1 2 2 2 2 2 2 4 5
SA4639121401Saliva Normal Weight 12 2 152.6 35.5 58.2 15.24 -1.025 20.1 0.38 1 0.233 -1.993902086 -0.160117426 -1.420420122 -2.845751216 Low stress 5.5 1.461538462 -0.767642993 2.2 -1.430777412 -0.691731704 1 2 2 1 3 3 2 6 2 1 1 1 4 1 1 1 1 1 6 1 1 1 1 4 1 1 2 2 2 2 2 2 1 1 1 1 1 1 2 2 1 4
SA4639131783Saliva Normal Weight 12 2 158 44 66.5 17.63 -0.17 26.4 0.42 1 0.278 -0.316557651 -0.810146381 -0.225020376 -0.587469049 Moderate stress 1 2.923076923 0.84619548 3.3 0.239795097 0.539234983 2 4 1 4 4 2 1 7 1 2 2 1 4 1 1 1 1 1 6 1 1 1 0 0 1 1 2 2 2 1 3 3 3 1 1 1 1 1 1 NA 1 4
SA4639142711Saliva Normal Weight 12 2 159 44.7 65.9 17.68 -0.148 20.6 0.41 1 0.281 -0.316557651 0.489911529 -1.209606072 0.500562817 Moderate stress 2 2.076923077 -0.088132057 3.4 0.391665325 0.32720894 1 3 1 4 4 4 1 6 1 1 1 1 4 1 1 1 1 1 4 4 1 4 2 3 2 2 2 1 1 2 1 2 2 1 2 1 1 1 1 3 1 4
SA4639151771Saliva Normal Weight 13 1 140.5 34.4 65.1 17.43 -0.32 19.2 0.46 1 0.245 -1.062044066 -1.135160859 0.305380335 -3.202055677 Low stress 5 1 -1.277276195 2.9 -0.367685815 -1.004850752 1 2 1 2 3 4 1 5 4 2 3 2 4 1 1 1 1 1 1 1 1 5 3 2 1 2 1 2 1 2 1 2 1 1 1 1 2 1 2 2 1 4
SA4639161262Saliva Normal Weight 13 1 156.4 44.1 63 18.03 -0.273 13.1 0.4 1 0.282 -0.875672462 -0.322624665 -1.339513009 -2.042859338 Moderate stress 3 1.692307692 -0.512826392 3.9 1.151016466 -0.84456221 2 3 1 3 2 3 1 7 1 2 1 1 16 1 4 1 1 2 3 1 1 2 1 2 1 1 2 4 4 3 2 3 2 1 1 1 1 1 2 2 1 3
SA4639171981Saliva Normal Weight 13 1 159 46.9 63 18.55 0.154 13 0.4 1 0.295 -0.875672462 -0.485131904 0.534454528 -1.503719395 Moderate stress 1.75 1.153846154 -1.107398461 2.7 -0.671426272 -0.142915029 1 2 2 3 2 1 1 4 2 2 1 2 4 1 1 1 1 1 3 2 1 1 2 4 1 1 2 4 2 3 1 2 2 2 2 1 3 1 0 2 1 4
SA4639182051Saliva Normal Weight 13 1 160.2 40.4 64.7 15.74 -1.253 13.1 0.4 1 0.252 -1.993902086 -0.810146381 -1.420420122 -3.648610677 Low stress 9.17 4.923076923 3.054606022 3.9 1.151016466 -0.84456221 1 2 2 2 2 4 1 6 4 2 1 3 4 1 1 1 1 3 5 1 1 3 1 1 1 1 1 4 2 3 1 3 2 1 4 1 2 1 2 2 2 4
SA4639192081Saliva Normal Weight 13 1 168.2 55.3 68.4 19.55 0.501 17.4 0.41 1 0.329 0.988043576 -0.160117426 -0.327117656 -0.345436586 Moderate stress 4 2.307692308 0.166684544 3.4 0.391665325 -1.173362737 1 3 2 3 2 2 1 5 1 5 1 2 4 1 1 1 1 2 4 4 1 4 2 2 1 1 1 3 1 3 1 2 1 1 1 1 4 1 0 2 1 1
SA4639201721Saliva Normal Weight 13 1 172.5 54.8 69 18.42 0.102 11.3 0.4 1 0.318 -1.062044066 -1.460175336 -1.420420122 -4.472181547 Low stress 3 1.538461538 -0.682704126 2.5 -0.975166728 -1.949962144 1 1 2 4 4 2 2 6 2 2 1 1 4 1 1 1 1 1 3 1 1 1 2 4 1 2 2 1 1 2 1 2 1 1 1 1 2 1 1 2 3 3
SA4639212622Saliva Normal Weight 13 1 175.2 63.9 71 20.82 0.867 13.2 0.41 1 0.365 -1.24841567 -0.160117426 -0.52982107 -3.146469198 Low stress 5.5 4.692307692 2.799789421 4.1 1.454756922 -1.737936101 2 2 2 2 2 2 1 7 1 1 1 1 4 1 1 1 1 2 7 1 2 4 2 2 1 2 2 4 1 4 1 4 2 1 1 1 4 1 0 2 1 3
SA4639222561Saliva Normal Weight 13 1 175.4 59.2 67.1 19.24 0.172 23.3 0.38 0 0.338 -0.130186047 0.002389812 1.497169993 0.199412705 Moderate stress 6 3.461538462 1.440767549 3.8 0.999146237 0.32720894 1 2 1 2 2 3 1 2 3 2 1 1 4 1 1 1 1 2 3 2 5 0 2 1 1 1 2 1 1 3 1 2 2 1 2 1 2 1 0 2 3 3
SA4639231992Saliva Normal Weight 13 2 160.9 44.3 68.2 17.11 -0.662 23.7 0.42 1 0.275 0.056185557 0.164897051 -1.420420122 0.078167579 Moderate stress 4 3.153846154 1.101012081 2.9 -0.367685815 -0.142915029 1 3 2 4 2 4 1 7 3 2 1 1 4 1 1 2 1 2 2 1 1 2 2 2 1 1 2 2 3 3 1 3 1 1 3 1 1 2 2 2 3 3
SA4639242791Saliva Normal Weight 13 2 163.3 54.7 69.1 20.51 0.57 26.5 0.42 1 0.335 -1.621158878 -1.297668098 0.479750455 -3.46452293 Low stress 5.25 2.384615385 0.251623411 3.3 0.239795097 -0.545695954 2 3 2 2 2 3 1 7 1 2 1 1 4 1 1 1 1 2 5 1 1 2 2 1 1 1 2 2 2 2 3 2 2 2 1 1 2 1 0 2 2 2
SA4639251701Saliva Normal Weight 13 2 163.5 54 68.7 20.2 0.478 25.21 0.42 1 0.33 2.1062732 2.439998394 2.466699082 6.205540225 High stress 0 3.153846154 1.101012081 3.2 0.087924869 1.659268631 2 1 2 4 3 3 1 7 1 1 1 1 7 1 2 1 2 4 4 2 1 2 2 3 1 1 1 1 1 2 1 2 1 1 1 1 3 1 0 2 1 2
SA4639262441Saliva Normal Weight 13 2 167.5 50.1 68 17.86 -0.342 24.6 0.41 1 0.299 1.733529992 1.952476677 0.301398123 5.195919426 High stress 1.5 3.461538462 1.440767549 3.7 0.847276009 1.509912756 1 3 2 2 1 2 2 5 2 4 3 1 7 1 2 1 1 3 3 1 1 1 2 2 1 1 1 3 2 3 2 3 2 1 2 1 2 2 0 2 1 3
SA4639272362Saliva Normal Weight 13 2 167.9 54.4 72 19.3 0.191 28.1 0.43 1 0.324 0.242557161 0.814926006 -0.017044253 0.365751463 Moderate stress 7 2.769230769 0.676317746 3.2 0.087924869 -0.691731704 1 2 2 3 2 3 3 7 5 2 2 1 4 1 1 1 1 1 1 3 4 4 2 2 1 1 1 2 2 1 3 1 3 1 3 1 1 1 0 1 1 4
SA4639281382Saliva Normal Weight 13 2 168.6 51.7 67.1 18.19 -0.211 16.9 0.4 1 0.307 -0.875672462 -0.810146381 -0.802529377 -3.036806645 Low stress 6.5 1.769230769 -0.427887525 3 -0.215815587 -1.350987801 2 2 1 2 4 7 2 5 3 1 1 1 4 1 1 1 1 1 1 1 5 4 2 2 1 2 1 2 1 1 2 1 1 2 1 1 4 1 4 1 1 1
SA4639291151Saliva Normal Weight 13 2 170.1 56.8 66.4 19.63 0.301 24.9 0.39 1 0.334 -0.689300858 -1.135160859 -1.420420122 -3.175449519 Low stress 3 1.230769231 -1.022459594 3 -0.215815587 -1.350987801 2 2 2 3 3 4 1 7 1 2 2 1 4 1 1 1 1 2 5 1 2 2 3 3 1 1 2 2 1 0 1 2 1 1 1 1 2 1 0 2 2 2
SA4639302461Saliva Normal Weight 13 2 172.1 51.2 70.6 17.29 -0.584 20.4 0.41 1 0.298 -1.24841567 -1.135160859 0.56610856 -2.789452938 Low stress 1 3.307692308 1.270889815 3.5 0.543535553 -0.405876409 1 2 2 1 1 1 1 2 1 2 2 1 4 1 1 1 1 2 1 1 1 2 4 2 1 1 1 2 2 1 1 1 2 1 2 1 1 2 1 2 1 5
SA4639311891Saliva Normal Weight 13 2 173.6 66.6 74.9 22.1 0.989 25.9 0.43 1 0.384 -0.875672462 -0.322624665 1.717222399 -0.55796914 Moderate stress 3.5 3 0.931134347 3.5 0.543535553 0.640327988 1 3 1 4 2 6 1 7 4 2 2 2 4 1 1 1 1 1 6 1 2 2 2 3 1 1 2 3 1 3 1 2 1 1 2 1 3 1 0 2 3 2
SA4639322071Saliva Normal Weight 13 2 176.8 63.6 80.7 20.35 0.291 24.5 0.46 1 0.36 1.919901596 1.139940484 0.108299832 2.916927051 High stress 8.5 2.230769231 0.081745677 3.9 1.151016466 -0.142915029 1 2 2 4 2 2 2 5 1 1 1 1 2 1 0 1 1 4 1 2 1 3 2 3 1 1 1 2 2 2 2 2 1 1 1 1 1 1 1 2 2 2
SA4639331121Saliva Normal Weight 14 1 162.3 50.5 72 19.17 0.127 16.7 0.44 1 0.311 -0.875672462 -0.322624665 0.028794396 -0.982463716 Moderate stress 0 2.692307692 0.591378879 3.1 -0.063945359 0.215833412 2 4 2 4 4 1 4 5 1 2 1 1 4 1 1 1 2 1 4 1 2 1 1 2 1 1 2 3 1 2 1 2 2 1 2 1 2 1 2 2 1 2
SA4639342551Saliva Normal Weight 14 1 162.4 45.1 62 17.1 -0.803 16.5 0.38 1 0.278 -1.062044066 -1.135160859 -0.537791038 -3.202055677 Low stress 5 3.923076923 1.950400751 3.9 1.151016466 -1.004850752 2 3 2 4 2 5 1 7 2 2 1 1 4 1 1 0 2 1 1 2 1 2 1 1 2 2 2 2 2 3 1 2 1 1 2 1 2 1 0 2 1 4
SA4639351741Saliva Normal Weight 14 1 168.7 51.2 69.3 17.99 -0.361 15.7 0.41 1 0.303 -0.875672462 -0.97265362 0.050353345 -3.199313884 Low stress 5 2.615384615 0.506440012 3.3 0.239795097 -1.350987801 1 2 1 2 3 4 1 6 1 1 1 1 4 1 1 4 1 1 5 1 1 1 2 4 1 2 2 2 2 2 2 2 2 1 2 2 1 1 2 2 5 5
SA4639362082Saliva Normal Weight 14 1 170.5 48.5 67.9 16.68 -1.037 11.5 0.4 1 0.284 -0.502929255 -0.97265362 -1.083551349 -2.320145085 Low stress 4 1 -1.277276195 2.2 -1.430777412 -0.84456221 1 3 2 3 2 2 1 5 2 3 1 2 4 1 1 1 1 2 4 4 1 4 2 2 1 1 1 3 1 3 1 2 1 1 1 1 1 1 0 2 4 1
SA4639371782Saliva Normal Weight 14 1 170.5 59 78.3 20.3 0.508 23.7 0.46 1 0.346 -0.130186047 0.002389812 -0.78479432 0.307135911 Moderate stress 5 3.615384615 1.610645283 4 1.302886694 0.434932145 2 4 1 4 4 2 1 7 1 2 2 1 4 1 1 1 1 1 6 1 1 1 2 4 1 1 2 2 2 3 2 2 2 1 1 1 1 1 1 3 1 4
SA4639381031Saliva Normal Weight 14 1 173.6 57.5 71.4 19.08 0.092 13.4 0.41 1 0.331 0.801671973 0.32740429 -0.258796785 3.134481943 High stress 6.5 1 -1.277276195 1.4 -2.645739237 2.00540568 1 2 1 4 3 0 2 7 2 1 2 1 9 1 3 1 2 1 4 2 2 2 2 2 2 2 2 5 2 1 2 1 2 1 2 1 1 1 1 2 2 2
SA4639391201Saliva Normal Weight 14 1 179.8 66.4 65.6 20.54 0.582 19 0.36 1 0.369 -1.434787274 -0.322624665 -1.360289981 -2.930774676 Low stress 3 1.538461538 -0.682704126 3.3 0.239795097 -1.173362737 2 3 2 4 4 1 1 7 1 1 1 2 4 1 1 2 1 2 5 4 1 1 3 4 1 2 1 2 2 2 2 2 2 1 7 1 3 1 1 2 1 2
SA4639402001Saliva Normal Weight 14 1 182 64.8 71 19.56 0.268 18.4 0.39 1 0.356 -1.062044066 -1.297668098 0.956560015 -3.204274374 Low stress 0 1.230769231 -1.022459594 3.2 0.087924869 -0.84456221 2 2 1 3 3 2 1 2 1 2 1 2 4 1 1 2 1 2 4 2 1 1 2 4 1 1 2 2 1 1 3 1 2 0 1 1 3 2 0 1 2 4
SA4639411811Saliva Normal Weight 14 2 156.5 49.2 70.2 20.09 0.206 25.1 0.45 1 0.314 -0.316557651 -0.485131904 2.388701638 -1.646251765 Moderate stress 1 1.384615385 -0.85258186 2.4 -1.127036956 -0.84456221 1 3 1 4 3 4 1 6 2 2 1 1 4 1 1 2 1 1 4 1 1 1 1 4 1 1 1 4 1 1 1 1 1 1 2 3 2 1 1 2 1 4
SA4639422651Saliva Normal Weight 14 2 159 46.2 70 18.27 -0.47 24.8 0.44 1 0.291 -1.062044066 -1.135160859 -0.518699783 -2.888936629 Low stress 5 1.153846154 -1.107398461 3.1 -0.063945359 -0.691731704 2 2 2 2 3 2 1 7 1 0 2 1 4 1 1 0 2 1 0 4 1 1 2 3 0 2 0 2 0 1 0 2 1 1 2 4 4 3 2 2 1 4
SA4639432041Saliva Normal Weight 14 2 161.9 53.6 61.5 20.45 0.324 23 0.38 1 0.331 1.17441518 0.652418767 -0.364470788 3.180276016 High stress 21.5 2.230769231 0.081745677 2.9 -0.367685815 1.353442069 1 1 1 2 1 1 1 3 1 1 2 1 4 1 1 1 1 1 1 1 1 1 4 2 1 1 1 2 1 2 1 2 1 1 1 1 1 1 0 3 1 2
SA4639441931Saliva Normal Weight 14 2 164.5 51 66.8 18.85 -0.24 22.3 0.41 1 0.31 -0.130186047 -0.810146381 0.603849063 -0.959260538 Moderate stress 11 3.538461538 1.525706416 2.9 -0.367685815 -0.01892811 2 2 1 4 4 5 1 7 2 2 1 1 4 1 1 1 1 2 5 1 3 2 6 3 1 2 1 1 1 1 2 1 1 2 2 2 4 1 0 2 2 3
SA4639451501Saliva Normal Weight 14 2 165 58.6 75 21.52 0.646 27.2 0.45 1 0.355 -1.993902086 0.489911529 -0.171205063 -2.508841309 Low stress 0 2.615384615 0.506440012 3.7 0.847276009 -1.004850752 1 3 1 0 4 3 3 7 1 3 3 1 4 1 1 1 1 1 7 2 3 2 2 2 1 3 1 3 3 2 2 1 1 1 2 1 2 1 0 2 1 4
SA4639461991Saliva Normal Weight 14 2 173.6 58 77 19.25 -0.089 26.6 0.44 1 0.334 -0.316557651 -1.135160859 -1.287568652 -1.857594919 Moderate stress 4.5 4.153846154 2.205217352 3.8 0.999146237 -0.405876409 1 3 2 4 2 2 2 6 4 2 2 1 4 1 1 1 1 2 2 1 1 1 4 4 1 1 2 2 2 2 0 2 2 1 3 1 1 1 2 3 2 3
SA4639472571Saliva Normal Weight 14 2 173.8 62.4 72 20.66 0.389 20.8 0.41 1 0.359 0.988043576 0.814926006 0.192795901 2.237901728 High stress 10.5 2.076923077 -0.088132057 3.3 0.239795097 0.434932145 2 2 2 2 3 2 1 7 2 1 1 1 4 1 1 1 1 1 1 1 5 5 4 3 2 2 2 3 2 3 2 2 2 1 2 1 1 1 2 2 1 1
SA4639482761Saliva Normal Weight 15 1 165.1 50.1 67.2 18.38 -0.487 13.1 0.41 1 0.303 -0.502929255 -0.810146381 -0.863204029 -2.317926388 Low stress 5 1.153846154 -1.107398461 2.5 -0.975166728 -1.004850752 2 2 1 3 3 4 1 6 2 1 1 1 7 1 2 1 1 1 5 1 1 1 2 2 1 1 1 1 1 1 1 1 2 1 2 2 4 1 2 2 4 2
SA4639491861Saliva Normal Weight 15 1 168.6 55.2 67 19.42 -0.04 15.7 0.4 1 0.327 -0.875672462 -0.97265362 0.039767697 -2.254202492 Low stress 9 1.538461538 -0.682704126 2.8 -0.519556043 -0.405876409 1 2 2 4 3 4 1 6 2 2 2 1 4 1 1 1 1 2 4 1 1 2 2 2 1 2 1 4 3 1 2 1 1 1 2 1 4 1 2 2 1 4
SA4639501781Saliva Normal Weight 15 1 171.4 56.1 73.5 19.1 -0.17 17.3 0.43 1 0.327 0.056185557 2.765012871 -1.216389295 2.415322019 High stress 2 5 3.139544889 5 2.821588975 -0.405876409 2 4 1 4 4 2 1 7 1 2 2 1 4 1 1 1 1 1 6 1 1 1 2 4 1 1 2 2 2 2 3 2 2 1 1 1 1 1 1 NA 1 4
SA4639511261Saliva Normal Weight 15 1 171.9 54 74.6 18.27 -0.537 13.4 0.43 1 0.314 -0.875672462 -0.160117426 -0.959479963 -1.727521593 Moderate stress 0 1.153846154 -1.107398461 3.8 0.999146237 -0.691731704 2 3 1 3 2 3 1 7 1 2 1 1 4 1 1 1 1 2 3 1 1 2 1 2 1 1 2 4 4 3 2 3 2 1 1 1 2 1 2 2 1 3
SA4639521091Saliva Normal Weight 15 1 174.2 53.9 65.5 17.76 -0.793 12 0.38 1 0.309 0.801671973 2.277491155 0.406320876 4.950457802 High stress 0 2.384615385 0.251623411 3.2 0.087924869 1.871294675 1 2 2 3 2 1 2 7 1 2 1 1 4 1 1 1 1 1 1 2 2 1 2 3 1 2 2 2 3 3 2 2 2 2 2 1 4 1 2 1 1 3
SA4639532311Saliva Normal Weight 15 1 176.1 56.6 70.8 18.25 -0.548 14.6 0.4 1 0.321 -0.316557651 -0.160117426 -1.420420122 -0.260841666 Moderate stress 6 2.846153846 0.761256613 3.7 0.847276009 0.215833412 2 2 2 2 4 3 2 7 2 2 1 2 4 1 1 2 2 2 4 3 4 2 2 3 1 1 1 2 2 2 2 2 3 1 2 2 4 3 0 1 3 3
SA4639542181Saliva Normal Weight 15 1 178.1 68 68 21.44 0.642 15.8 0.38 1 0.382 0.056185557 0.002389812 -1.420420122 -0.633156335 Moderate stress 8 1.384615385 -0.85258186 3.3 0.239795097 -0.691731704 1 2 2 4 2 4 1 7 2 1 1 1 16 4 1 1 1 1 4 1 1 1 2 4 1 1 1 1 2 3 1 1 2 1 3 1 2 1 0 2 0 5
SA4639551112Saliva Normal Weight 15 1 185.9 68.8 73.4 19.91 0.146 17.1 0.39 1 0.37 -0.130186047 -0.485131904 -0.191043784 -2.154086199 Low stress 44 1.769230769 -0.427887525 2.3 -1.278907184 -1.538768248 2 2 1 3 2 3 1 6 1 1 1 1 4 1 1 1 1 2 2 1 1 2 2 2 1 2 2 1 1 0 1 2 1 1 1 2 2 2 1 2 1 4
SA4639561772Saliva Normal Weight 15 1 187.2 70.9 84.2 20.23 0.261 15.4 0.45 1 0.379 0.428928765 0.002389812 -1.420420122 -0.260413127 Moderate stress 6 1 -1.277276195 3.4 0.391665325 -0.691731704 1 2 1 2 3 4 1 5 4 2 3 2 4 1 1 1 1 1 1 1 1 5 3 1 1 2 1 2 1 2 1 2 1 1 1 1 2 1 1 2 1 4
SA4639572841Saliva Normal Weight 15 1 187.4 72.9 76.5 20.76 0.436 12.8 0.41 1 0.389 -0.316557651 -0.810146381 1.703038795 -1.818435736 Moderate stress 7 1.307692308 -0.937520727 3.3 0.239795097 -0.691731704 1 3 2 3 2 3 1 6 3 2 1 3 4 1 1 1 3 2 4 4 1 2 2 2 1 1 1 4 3 2 2 2 2 1 2 1 1 1 2 2 5 5
SA4639582121Saliva Normal Weight 15 1 189 63.5 71 17.78 -0.786 11.9 0.38 1 0.336 -0.316557651 0.977433245 0.12830678 -0.183686616 Moderate stress 4.5 1.923076923 -0.258009791 3.2 0.087924869 -0.84456221 1 2 2 2 2 2 1 5 3 3 1 1 4 1 1 1 1 4 4 1 1 1 1 4 1 1 1 1 1 2 1 2 1 1 2 1 1 1 2 3 1 4
SA4639591791Saliva Normal Weight 15 2 148.5 49.3 72.4 22.36 0.683 28.2 0.49 1 0.332 0.615300369 -0.485131904 2.192996717 0.346001876 Moderate stress 4.33 1.153846154 -1.107398461 2.7 -0.671426272 0.215833412 1 2 2 2 2 2 2 2 2 5 2 2 4 1 1 1 1 2 2 2 2 2 2 2 2 2 0 1 2 2 2 2 2 0 2 1 2 1 0 1 1 2
SA4639602621Saliva Normal Weight 15 2 155.1 51.5 64.6 21.41 0.405 24.8 0.42 1 0.332 0.988043576 0.652418767 -0.305593872 3.645868024 High stress 6 2.692307692 0.591378879 3.5 0.543535553 2.00540568 2 3 2 3 4 4 1 6 1 1 1 1 4 1 1 2 1 2 2 1 2 4 2 2 1 1 2 3 2 1 3 1 1 2 2 1 2 1 0 1 2 1
SA4639611321Saliva Normal Weight 15 2 160.5 53.6 68.6 20.81 0.212 22.6 0.43 1 0.334 0.056185557 -0.485131904 0.677398328 0.497236936 Moderate stress 13.5 2.153846154 -0.00319319 3.5 0.543535553 0.926183283 1 2 2 2 2 1 3 7 2 2 1 1 7 2 1 1 1 2 4 3 3 1 3 3 1 2 2 3 3 0 1 1 1 2 2 1 3 1 1 2 2 2
SA4639622471Saliva Normal Weight 15 2 162 60.2 72 22.94 0.84 27.1 0.44 1 0.372 1.733529992 0.32740429 0.170639488 4.195190337 High stress 4.5 2.923076923 0.84619548 3.2 0.087924869 2.134256055 2 2 2 3 4 4 1 7 1 1 1 1 4 1 1 2 1 1 1 1 1 1 4 4 1 2 1 3 2 1 2 2 2 1 1 1 1 1 1 3 1 4
SA4639632031Saliva Normal Weight 15 2 163.5 54.9 73.3 20.54 0.121 30.2 0.45 1 0.336 1.547158388 0.002389812 0.597850804 0.857816496 Moderate stress 4 1.923076923 -0.258009791 2.7 -0.671426272 -0.691731704 2 2 1 3 3 4 1 6 1 2 1 1 4 1 1 1 1 1 4 1 1 4 2 2 1 2 2 2 1 2 1 1 1 1 3 2 5 1 0 2 1 2
SA4639641892Saliva Normal Weight 15 2 166.3 54.3 70.2 19.63 -0.205 21.2 0.42 1 0.327 0.428928765 0.164897051 -1.420420122 0.694374998 Moderate stress 8 2.384615385 0.251623411 2.8 -0.519556043 0.100549182 1 3 1 4 2 6 1 6 4 2 1 1 4 1 1 1 1 1 6 1 2 2 2 3 1 1 2 2 1 3 1 2 1 1 1 1 2 1 1 2 3 2
SA4639652052Saliva Normal Weight 15 2 167.5 49.8 68.3 17.75 -1.018 22.5 0.41 1 0.297 -0.130186047 -0.322624665 -0.2520991 -0.35226153 Moderate stress 10 2.846153846 0.761256613 3.4 0.391665325 0.100549182 1 2 2 2 2 4 2 6 4 2 1 1 4 1 1 1 1 3 4 1 1 3 1 1 1 1 1 4 2 3 1 3 2 1 1 1 2 1 2 2 2 4
SA4639661812Saliva Normal Weight 15 2 168.9 50.8 61.3 17.81 -0.99 23.6 0.36 1 0.301 0.242557161 0.002389812 -0.001620466 -0.160929436 Moderate stress 4 2.538461538 0.421501145 4.1 1.454756922 -0.405876409 1 2 1 4 3 4 1 5 1 2 1 1 4 1 1 2 1 1 4 1 1 1 1 1 1 1 1 4 1 1 1 1 1 1 2 3 3 1 1 2 1 4
SA4639671301Saliva Normal Weight 15 2 169 56.2 75.3 19.68 -0.189 24.9 0.45 1 0.333 0.428928765 1.464954961 0.440062597 2.221092665 High stress 5.5 2.615384615 0.506440012 2.8 -0.519556043 0.32720894 1 3 2 3 3 1 1 5 2 4 1 2 4 1 1 2 1 4 4 1 1 4 3 3 1 1 3 1 1 3 1 3 2 2 1 1 4 1 0 2 1 3
SA4639682751Saliva Normal Weight 15 2 170.3 59.7 63.5 20.58 0.138 21 0.37 1 0.351 0.615300369 0.977433245 0.110624224 2.131968596 High stress 8 2.846153846 0.761256613 3.4 0.391665325 0.539234983 1 2 1 2 2 1 1 7 1 1 1 1 4 1 1 1 1 3 1 1 3 1 2 2 1 1 1 1 1 1 2 1 1 1 1 1 2 1 0 1 2 1
SA4639691581Saliva Normal Weight 15 2 170 55.9 70 19.34 -0.318 24.7 0.41 1 0.329 0.242557161 0.489911529 -0.343349912 1.921613352 High stress 0 2.384615385 0.251623411 2.9 -0.367685815 1.189144663 2 3 2 4 4 1 1 7 3 1 1 1 9 1 3 1 1 1 3 2 1 2 2 3 1 2 1 1 2 2 2 1 2 1 2 2 1 1 0 2 1 3
SA4639702511Saliva Normal Weight 16 1 164.6 43.6 65.3 16.09 -2.227 11.8 0.4 1 0.265 -0.316557651 -0.485131904 0.565585432 -1.493421259 Moderate stress 0 3.384615385 1.355828682 3.6 0.695405781 -0.691731704 2 2 1 4 3 4 1 5 2 1 1 1 4 1 1 1 2 3 4 2 2 1 2 3 1 2 1 1 2 2 3 1 2 2 2 2 3 1 2 2 2 2
SA4639711311Saliva Normal Weight 16 1 168.1 49.5 69.3 17.52 -1.256 12.2 0.41 1 0.294 -0.130186047 -0.647639143 -0.650871023 -1.049590593 Moderate stress 0 1.307692308 -0.937520727 3.2 0.087924869 -0.271765404 2 2 2 2 2 1 2 7 2 2 1 2 4 1 1 1 5 2 1 1 1 1 4 4 1 2 1 4 4 2 2 2 2 1 1 1 1 1 0 3 1 2
SA4639721851Saliva Normal Weight 16 1 169.6 61.8 79 21.49 0.478 21 0.47 1 0.364 -1.062044066 -0.647639143 -0.085952135 -0.783499926 Moderate stress 5 1.923076923 -0.258009791 3.6 0.695405781 0.926183283 1 4 1 4 1 2 1 5 1 1 1 3 4 1 1 1 1 3 5 1 1 1 3 3 1 2 1 4 4 4 4 5 1 1 2 1 3 2 0 2 1 5
SA4639731832Saliva Normal Weight 16 1 169.7 64.9 71.5 22.54 0.787 18.8 0.42 1 0.382 -1.993902086 0.977433245 0.117977354 -2.189831577 Low stress 1.5 1.461538462 -0.767642993 2.6 -0.8232965 -1.173362737 1 3 1 4 2 2 1 7 3 1 4 1 4 1 1 1 1 1 5 1 1 5 2 2 1 1 1 3 1 3 1 2 1 1 1 1 1 0 0 NA 1 2
SA4639742491Saliva Normal Weight 16 1 174.5 54.2 71 17.8 -1.091 12.4 0.41 1 0.311 1.17441518 2.277491155 NA 5.183381465 High stress 0 3 0.931134347 3.6 0.695405781 1.73147513 1 3 2 3 3 2 2 7 1 2 2 2 4 1 1 1 1 2 5 2 2 2 2 2 1 1 1 4 4 4 4 4 1 2 2 1 4 2 0 2 2 2
SA4639752011Saliva Normal Weight 16 1 175.5 66.5 80 21.59 0.512 25 0.46 1 0.379 NA NA 1.340711519 NA NA 2 2.076923077 -0.088132057 3.5 0.543535553 NA 1 3 1 4 2 3 1 4 1 4 5 5 4 1 1 1 1 1 2 2 1 1 2 3 1 1 1 4 1 4 1 4 1 1 2 1 4 1 2 2 4 2
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Collection:

Collection ID:CO004157
Collection Summary:For the OPERA cohort, saliva was collected under the supervision of trained staff at Ghent University Hospital using the passive drool collection method (Salimetrics, Carlsbad, USA) between 4.30 and 5.30 p.m. Participants were required to refrain from eating or drinking (except water) for at least three hours before collection and could only brush their teeth in the morning. Smoking or alcohol use was not permitted during the whole day. Samples were stored at -80°C until analysis.
Collection Protocol Filename:wijnant-et-al-2020-validated-ultra-high-performance-liquid-chromatography-hybrid-high-resolution-mass-spectrometry-and_(1).pdf
Sample Type:Saliva
Storage Conditions:-80℃

Treatment:

Treatment ID:TR004173
Treatment Summary:No treatment was applied.

Sample Preparation:

Sampleprep ID:SP004170
Sampleprep Summary:450 µL of saliva was pipetted into a 1.5 mL Eppendorf tube, followed by the addition of 10 µL of an internal standard mixture (Table S9). The solution was vortexed briefly and centrifuged for 5 min at 17,000 x g at room temperature. The supernatant was then collected with a 1 mL syringe and passed over a polyamide membrane filter (25 mm diameter, 0.45 µm pore size, Machery-Nagel, Germany). Finally, 150 µL of the undiluted extract was transferred to a UHPLC-vial with a glass insert.

Chromatography:

Chromatography ID:CH005042
Instrument Name:Thermo Dionex Ultimate 3000 RS
Column Name:Waters ACQUITY UPLC HSS T3 (150 x 2.1mm,1.8um)
Column Temperature:45°C
Flow Gradient:A gradient profile with following proportions (v/v) of solvent A was applied: 0e1.5 min at 98%, 1.5e7.0 min from 98% to 75%, 7.0e8.0 min from 75% to 40%, 8.0e12.0 min from 40% to 5%, 12.0e14.0 min at 5%, 14.0e14.1 min from 5 to 98%, followed by 4.0 min of re-equilibration.
Flow Rate:0.4 mL/min
Solvent A:100% ultrapure water; 0.1% formic acid
Solvent B:100% Acetonitrile; 0.1% formic acid
Chromatography Type:Reversed phase

Analysis:

Analysis ID:AN006634
Analysis Type:MS
Chromatography ID:CH005042
Has Mz:1
Has Rt:1
Rt Units:Minutes
Results File:ST003706_AN006634_Results.txt
Units:a.u.
  
Analysis ID:AN006635
Analysis Type:MS
Chromatography ID:CH005042
Has Mz:1
Has Rt:1
Rt Units:Minutes
Results File:ST003706_AN006635_Results.txt
Units:a.u.
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