Summary of study ST001212

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 PR000823. The data can be accessed directly via it's Project DOI: 10.21228/M89D5Q This work is supported by NIH grant, U2C- DK119886.

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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 IDST001212
Study TitleFish-oil supplementation in pregnancy, child metabolomics and asthma risk
Study SummaryWe investigated potential metabolic mechanisms using untargeted liquid chromatography-mass spectrometry-based metabolomics on 577 plasma samples collected at age 6 months in the offspring of mothers participating in the n-3 LCPUFA randomized controlled trial. First, associations between the n-3 LCPUFA supplementation groups and child metabolite levels were investigated using univariate regression models and data-driven partial least square discriminant analyses (PLS-DA). Second, we analyzed the association between the n-3 LCPUFA metabolomic profile and asthma development using Cox-regression. Third, we conducted mediation analyses to investigate whether the protective effect of n-3 LCPUFA on asthma was mediated via the metabolome
Institute
University of Copenhagen
DepartmentCopenhagen Prospective Studies on Asthma in Childhood, Herlev and Gentofte Hospital
Last NameRago
First NameDaniela
AddressLedreborg Alle 34, DK-2820 Gentofte; Denmark
Emaildaniela.rago@dbac.dk
Phone(+45) 39777360
Submit Date2019-07-10
Analysis Type DetailLC-MS
Release Date2019-09-23
Release Version1
Daniela Rago Daniela Rago
https://dx.doi.org/10.21228/M89D5Q
ftp://www.metabolomicsworkbench.org/Studies/ application/zip

Select appropriate tab below to view additional metadata details:


Project:

Project ID:PR000823
Project DOI:doi: 10.21228/M89D5Q
Project Title:Fish-oil supplementation in pregnancy, child metabolomics and asthma risk
Project Type:Untargeted metabolomics
Project Summary:We investigated potential metabolic mechanisms using untargeted liquid chromatography-mass spectrometry-based metabolomics on 577 plasma samples collected at age 6 months in the offspring of mothers participating in the n-3 LCPUFA randomised controlled trial. First, associations between the n-3 LCPUFA supplementation groups and child metabolite levels were investigated using univariate regression models and data-driven partial least square discriminant analyses (PLS-DA). Second, we analysed the association between the n-3 LCPUFA metabolomic profile and asthma development using Cox-regression. Third, we conducted mediation analyses to investigate whether the protective effect of n-3 LCPUFA on asthma was mediated via the metabolome.
Institute:University of Copenhagen
Department:Copenhagen Prospective Studies on Asthma in Childhood, Herlev and Gentofte Hospital
Last Name:Rago
First Name:Daniela
Address:Ledreborg Alle 34, Gentofte, DK, 2820, Denmark
Email:daniela.rago@dbac.dk
Phone:+45-39777360

Subject:

Subject ID:SU001298
Subject Type:Human
Subject Species:Homo sapiens
Taxonomy ID:9606
Age Or Age Range:4-8 months
Gender:Male and female
Human Ethnicity:Mainly Caucasian
Human Trial Type:RCT

Factors:

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

mb_sample_id local_sample_id Age
SA087149V3866
SA087150V3876
SA087151V3886
SA087152V3856
SA087153V3836
SA087154V3816
SA087155V3826
SA087156V3896
SA087157V3846
SA087158V3906
SA087159V3956
SA087160V3966
SA087161V3976
SA087162V3946
SA087163V3936
SA087164V3916
SA087165V3926
SA087166V3806
SA087167V3796
SA087168V3676
SA087169V3686
SA087170V3696
SA087171V3666
SA087172V3656
SA087173V3636
SA087174V3646
SA087175V3706
SA087176V3716
SA087177V3766
SA087178V3776
SA087179V3786
SA087180V3756
SA087181V3746
SA087182V3726
SA087183V3736
SA087184V3986
SA087185V3996
SA087186V4226
SA087187V4236
SA087188V4246
SA087189V4216
SA087190V4206
SA087191V4186
SA087192V4196
SA087193V4256
SA087194V4266
SA087195V4316
SA087196V4326
SA087197V4336
SA087198V4306
SA087199V4296
SA087200V4276
SA087201V4286
SA087202V4176
SA087203V4166
SA087204V4046
SA087205V4056
SA087206V4066
SA087207V4036
SA087208V4026
SA087209V4006
SA087210V4016
SA087211V4076
SA087212V4086
SA087213V4136
SA087214V4146
SA087215V4156
SA087216V4126
SA087217V4116
SA087218V4096
SA087219V4106
SA087220V3626
SA087221V3616
SA087222V3136
SA087223V3146
SA087224V3156
SA087225V3126
SA087226V3116
SA087227V3096
SA087228V3106
SA087229V3166
SA087230V3176
SA087231V3226
SA087232V3236
SA087233V3246
SA087234V3216
SA087235V3206
SA087236V3186
SA087237V3196
SA087238V3086
SA087239V3076
SA087240V2956
SA087241V2966
SA087242V2976
SA087243V2946
SA087244V2936
SA087245V2916
SA087246V2926
SA087247V2986
SA087248V2996
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Collection:

Collection ID:CO001292
Collection Summary:The blood sample was collected in an EDTA tube and left at room temperature for 30 min and thereafter spun down for 10 min at 4000 rpm. The supernatant was collected and stored at -80 C until further analysis.
Sample Type:Blood (plasma)
Storage Conditions:-80℃

Treatment:

Treatment ID:TR001313
Treatment Summary:The pregnant women were enrolled in a double-blind, randomized controlled trial (DB-RCT)3. At enrollment during pregnancy week 22-26, the women were randomly assigned in a 1:1 ratio to receive 2.4 g per day of n−3 long-chain polyunsaturated fatty acids (LCPUFAs) in triacylglycerol form from fish oil capsules containing 55% eicosapentaenoic acid (20:5n–3, EPA) and 37% docosahexaenoic acid (22:6n–3, DHA (Incromega TG33/22, Croda, Health Care) or placebo in the form of lookalike olive oil capsules, containing 72% n–9 oleic acid and 12% n−6 linoleic acid (Pharma-Tech A/S). The women continued taking the daily supplement until 1 week after delivery, where they visited the research unit with their child. A subgroup of the pregnant women (n=623) also participated in another DB-RCT with a nested 2x2 factorial design in which they were assigned to 2400 IU of vitamin D per day or placebo from pregnancy week 22-26 till 1 week postpartum on top of the recommended pregnancy supplement of 400 IU/d; i.e. the women received 2800 vs. 400 IU/d of vitamin D, which did not significantly affect the offspring’s risk of developing asthma

Sample Preparation:

Sampleprep ID:SP001306
Sampleprep Summary:The sample preparation was done using the automated system MicroLab STAR® system from Hamilton Company. Prior to extraction, the samples were fortified with recovery standards for quality control (QC) purposes. Methanol was used to extract the metabolites and precipitate the proteins during vigorous shaking for 2 min (Glen Mills GenoGrinder 2000) followed by centrifugation. The resulting extract was divided into four aliquots to be subsequently analyzed by LC-MS/MS comprising of four platforms. Samples were placed on a TurboVap® (Zymark) to remove the organic solvent and stored overnight under nitrogen before preparation for LC-MS/MS analysis.
Processing Storage Conditions:-80℃

Combined analysis:

Analysis ID AN002044 AN002045 AN002046 AN002047
Analysis type MS MS MS MS
Chromatography type Reversed phase Reversed phase Reversed phase HILIC
Chromatography system Waters Acquity Waters Acquity Waters Acquity Waters Acquity
Column Waters Acquity BEH C18 (100 x 2mm, 1.7um) Waters Acquity BEH C18 (100 x 2mm, 1.7um) Waters Acquity BEH C18 (100 x 2mm, 1.7um) Waters Acquity BEH Amide (150 x 2.1mm, 1.7um)
MS Type ESI ESI ESI ESI
MS instrument type Orbitrap Orbitrap Orbitrap Orbitrap
MS instrument name Thermo Q Exactive Orbitrap Thermo Q Exactive Orbitrap Thermo Q Exactive Orbitrap Thermo Q Exactive Orbitrap
Ion Mode POSITIVE POSITIVE NEGATIVE NEGATIVE
Units peak area peak area peak area peak area

Chromatography:

Chromatography ID:CH001484
Methods Filename:daniela_rago_CH_LC-MS_methods.pdf
Instrument Name:Waters Acquity
Column Name:Waters Acquity BEH C18 (100 x 2mm, 1.7um)
Chromatography Type:Reversed phase
  
Chromatography ID:CH001485
Methods Filename:daniela_rago_CH_LC-MS_methods.pdf
Instrument Name:Waters Acquity
Column Name:Waters Acquity BEH C18 (100 x 2mm, 1.7um)
Chromatography Type:Reversed phase
  
Chromatography ID:CH001486
Methods Filename:daniela_rago_CH_LC-MS_methods.pdf
Instrument Name:Waters Acquity
Column Name:Waters Acquity BEH C18 (100 x 2mm, 1.7um)
Chromatography Type:Reversed phase
  
Chromatography ID:CH001487
Methods Filename:daniela_rago_CH_LC-MS_methods.pdf
Instrument Name:Waters Acquity
Column Name:Waters Acquity BEH Amide (150 x 2.1mm, 1.7um)
Chromatography Type:HILIC

MS:

MS ID:MS001896
Analysis ID:AN002044
Instrument Name:Thermo Q Exactive Orbitrap
Instrument Type:Orbitrap
MS Type:ESI
MS Comments:The MS analysis alternated between MS and data-dependent MSn scans using dynamic exclusion. The scan range varied slighted between methods but covered 70-1000 m/z. Raw data was extracted, peak-identified and QC processed using Metabolon’s hardware and software. Compounds were identified by comparison to library entries of purified standards or recurrent unknown entities.
Ion Mode:POSITIVE
  
MS ID:MS001897
Analysis ID:AN002045
Instrument Name:Thermo Q Exactive Orbitrap
Instrument Type:Orbitrap
MS Type:ESI
MS Comments:The MS analysis alternated between MS and data-dependent MSn scans using dynamic exclusion. The scan range varied slighted between methods but covered 70-1000 m/z. Raw data was extracted, peak-identified and QC processed using Metabolon’s hardware and software. Compounds were identified by comparison to library entries of purified standards or recurrent unknown entities.
Ion Mode:POSITIVE
  
MS ID:MS001898
Analysis ID:AN002046
Instrument Name:Thermo Q Exactive Orbitrap
Instrument Type:Orbitrap
MS Type:ESI
MS Comments:The MS analysis alternated between MS and data-dependent MSn scans using dynamic exclusion. The scan range varied slighted between methods but covered 70-1000 m/z. Raw data was extracted, peak-identified and QC processed using Metabolon’s hardware and software. Compounds were identified by comparison to library entries of purified standards or recurrent unknown entities.
Ion Mode:NEGATIVE
  
MS ID:MS001899
Analysis ID:AN002047
Instrument Name:Thermo Q Exactive Orbitrap
Instrument Type:Orbitrap
MS Type:ESI
MS Comments:The MS analysis alternated between MS and data-dependent MSn scans using dynamic exclusion. The scan range varied slighted between methods but covered 70-1000 m/z. Raw data was extracted, peak-identified and QC processed using Metabolon’s hardware and software. Compounds were identified by comparison to library entries of purified standards or recurrent unknown entities.
Ion Mode:NEGATIVE
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