Summary of Study ST003810

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 PR002383. The data can be accessed directly via it's Project DOI: 10.21228/M8M820 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 IDST003810
Study TitleLongitudinal multi-omics analysis of cord blood and childhood serum in Autism Spectrum Disorder (Positive mode)
Study TypeLC MS/MS quantitative analysis
Study SummaryUntargeted Metabolomic analysis was performed on cord blood plasma from 22 children diagnosed with Autism before age 5, and 44 neurotypical controls from the Cork Baseline Birth Cohort.
Institute
University College Cork
DepartmentAnatomy & Neuroscience
LaboratoryDr Jane English Lab
Last NameEnglish
First NameJane
AddressUniversity College Cork
Emailjane.english@ucc.ie
Phone0879915949
Submit Date2025-03-19
Num Groups22 Autism cases vs 44 Neurotypical Controls
Total Subjects66 cord blood plasma samples
Study CommentsAutism case vs control study design
PublicationsA.Noone et al. Molecular Psychiatry 2025
Raw Data AvailableYes
Raw Data File Type(s)mzML, raw(Waters)
Analysis Type DetailLC-MS
Release Date2025-04-18
Release Version1
Jane English Jane English
https://dx.doi.org/10.21228/M8M820
ftp://www.metabolomicsworkbench.org/Studies/ application/zip

Select appropriate tab below to view additional metadata details:

Project:

Project ID:PR002383
Project DOI:doi: 10.21228/M8M820
Project Title:Longitudinal multi-omics analysis of cord blood and childhood serum in Autism Spectrum Disorder
Project Type:Untargeted Metabolomics study
Project Summary:Metabolomic analysis was performed on cord blood plasma from 22 children diagnosed with Autism before age 5, and 44 neurotypical controls from the Cork Baseline Birth Cohort. LC-MS analysis was performed using an ACQUITY ultra performance liquid chromatography (Waters Corp, Milford, MA) coupled with a Synapt G2-S quadrupole time-of-flight (UPLC-Q-TOF) mass spectrometer (Waters Corp, Wilmslow, UK). MSE data were uploaded onto Progenesis QI 2.4 software (Nonlinear Dynamics, Newcastle, U.K.) for peak picking and alignment. Data were normalized to ‘All Compounds’ and the coefficient of variation (CV) was computed for each compound across all QC runs (n=8) to evaluate repeatability of measurement. Compounds with > 20% CV within the QCs were removed. Any compound which had >30% missing values across the entire sample set or >30% in either subgroup (case or control) was removed. Remaining features (429 negative mode, 1353 positive mode) were log2 transformed and normalised on the median values. Mann-Whitney U tests for significant differences between cases and controls were then carried out and corrected for false discovery rate (FDR) using the Benjamini-Hochberg procedure. Altered metabolites (p < 0.05) were uploaded to Metaboanalyst (v6.0) to identify key metabolic pathways implicated. We identified 32 metabolites as significantly altered between cases and controls (see A. Noone et al. 2025, and supplementary data).
Institute:University College Cork
Department:Anatomy & Neuroscience
Laboratory:Dr Jane English Lab
Last Name:English
First Name:Jane
Address:University College Cork
Email:jane.english@ucc.ie
Phone:0879915949
Funding Source:Health Research board Ireland
Publications:A.Noone et al. Molecular Psychiatry 2025
Contributors:Kirsten Dowling and Jane English

Subject:

Subject ID:SU003944
Subject Type:Human
Subject Species:Homo sapiens
Taxonomy ID:9606
Age Or Age Range:Birth
Gender:Male and female

Factors:

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

mb_sample_id local_sample_id Case_ Control Status
SA417398210312_58Case
SA417399210312_45Case
SA417400210312_47Case
SA417401210312_49Case
SA417402210312_50Case
SA417403210312_29Case
SA417404210312_53Case
SA417405210312_23Case
SA417406210312_22Case
SA417407210312_20Case
SA417408210312_57Case
SA417409210312_18Case
SA417410210312_21Case
SA417411210312_42Case
SA417412210312_64Case
SA417413210312_13Case
SA417414210312_03Case
SA417415210312_10Case
SA417416210312_65Case
SA417417210312_06Case
SA417418210312_15Case
SA417419210312_43Control
SA417420210312_44Control
SA417421210312_46Control
SA417422210312_66Control
SA417423210312_48Control
SA417424210312_59Control
SA417425210312_51Control
SA417426210312_63Control
SA417427210312_54Control
SA417428210312_55Control
SA417429210312_56Control
SA417430210312_62Control
SA417431210312_41Control
SA417432210312_61Control
SA417433210312_60Control
SA417434210312_52Control
SA417435210312_01Control
SA417436210312_40Control
SA417437210312_25Control
SA417438210312_04Control
SA417439210312_05Control
SA417440210312_08Control
SA417441210312_09Control
SA417442210312_11Control
SA417443210312_12Control
SA417444210312_14Control
SA417445210312_16Control
SA417446210312_17Control
SA417447210312_19Control
SA417448210312_24Control
SA417449210312_26Control
SA417450210312_39Control
SA417451210312_27Control
SA417452210312_28Control
SA417453210312_30Control
SA417454210312_31Control
SA417455210312_32Control
SA417456210312_33Control
SA417457210312_34Control
SA417458210312_02Control
SA417459210312_36Control
SA417460210312_37Control
SA417461210312_38Control
SA417462210312_35Control
Showing results 1 to 65 of 65

Collection:

Collection ID:CO003937
Collection Summary:Cord blood EDTA plasma aliquots were retrieved from the INFANT ISO accredited biobanking facilities and stored at −80 °C until analysed. Blood for the later childhood assessment was collected in BD Vacutainer serum tubes. Following centrifugation, 250µl aliquots (Wilmut) were stored in −80 °C long-term storage. Local standard operating protocols were followed in all handling and storage of human bio-samples.
Collection Protocol Filename:Noone_et_al_Cord_Blood_Metabolomics_Protocol.pdf
Sample Type:Blood (plasma)
Storage Conditions:-80℃

Treatment:

Treatment ID:TR003953
Treatment Summary:Case control study.

Sample Preparation:

Sampleprep ID:SP003950
Sampleprep Summary:For metabolomics profiling in cord blood, we used 50µl of cord blood plasma, to which 150µl of cold acetonitrile was added, vortexed for 1 min, and chilled for 1 hour at -20˚C. The samples were centrifuged for 15 min at 15,000 rpm; supernatant was transferred to a clean tube and dried in a vacuum centrifuge at 30˚C. The sample was reconstituted in 100µl of 50:50 acetonitrile:water with 0.1% formic acid and transferred to glass autosampler vials for injection onto a Waters ACQUITY-SYNAPT G2-S LC-MS/MS system. LC-MS/MS methodology for metabolomics analysis is described in Morillon et al.
Sampleprep Protocol Filename:Noone_et_al_Cord_Blood_Metabolomics_Protocol.pdf
Processing Storage Conditions:-20℃

Chromatography:

Chromatography ID:CH004752
Chromatography Summary:LC-MS analysis was performed using an ACQUITY ultra performance liquid chromatography (Waters Corp, Milford, MA) coupled with a Synapt G2-S quadrupole time-of-flight (UPLC-Q-TOF) mass spectrometer (Waters Corp, Wilmslow, UK)
Chromatography Comments:pooled QC injected every tenth injection throughout the analysis.
Instrument Name:Waters Acquity
Column Name:Waters ACQUITY UPLC BEH C18 (150 x 1.7mm,2.1um)
Column Temperature:65 °C
Flow Gradient:15min
Flow Rate:0.4 mL/min
Solvent A:0.1% formic acid in water
Solvent B:0.1% formic acid in acetonitrile
Target Sample Temperature:7oC
Randomization Order:yes
Chromatography Type:Reversed phase

Analysis:

Analysis ID:AN006264
Analysis Type:MS
Analysis Protocol File:Noone_et_al_Cord_Blood_Metabolomics_Protocol.pdf
Chromatography ID:CH004752
Has Mz:1
Has Rt:1
Rt Units:Minutes
Results File:ST003810_AN006264_Results.txt
Units:m/z
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