Summary of Study ST001685

This data is available at the NIH Common Fund's National Metabolomics Data Repository (NMDR) website, the Metabolomics Workbench,, where it has been assigned Project ID PR001084. The data can be accessed directly via it's Project DOI: 10.21228/M8KH57 This work is supported by NIH grant, U2C- DK119886.


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.

Perform statistical analysis  |  Show all samples  |  Show named metabolites  |  Download named metabolite data  
Download mwTab file (text)   |  Download mwTab file(JSON)   |  Download data files (Contains raw data)
Study IDST001685
Study TitleExposure to per- and polyfluoroalkyl substances associates with altered lipid profile of breast milk (Part 2)
Study SummaryIn this mother-infant study (n=44) we investigated the levels of PFAS in maternal serum and detailed lipidomic profile in breast milk at birth and at three months using ultra high performance liquid chromatography combined with quadrupole-time-of-flight mass spectrometry.
University of Turku
Last NameLamichhane
First NameSantosh
AddressTykistökatu 6, FI-20520 Turku, Finland
Submit Date2021-02-08
Raw Data AvailableYes
Raw Data File Type(s)mzdata.xml
Analysis Type DetailLC-MS
Release Date2021-10-02
Release Version1
Santosh Lamichhane Santosh Lamichhane application/zip

Select appropriate tab below to view additional metadata details:


Project ID:PR001084
Project DOI:doi: 10.21228/M8KH57
Project Title:Exposure to per- and polyfluoroalkyl substances and lipid profile of breast milk
Project Type:MS analysis
Project Summary:The objective of this study was to investigate whether the maternal levels of PFAS are associated with lipid composition of human breast milk and further, if the changes in composition have impact on the growth of the infants.
Institute:University of Turku
Department:Turku Bioscience
Laboratory:Turku Metabolomics Center
Last Name:Lamichhane
First Name:Santosh
Address:Tykistökatu 6 , Turku
Funding Source:This study was supported by the Swedish Research Council (grant no. 2016-05176 to T.H and M.O), Formas (grant no. 2019-00869 to T.H and M.O), and the NovoNordiskFoundation (xxx). The EDIA study was supported by the National Institute of Diabetes and Digestive and Kidney Diseases (NIDDK), National Institutes of Health (No. 1DP3DK094338-01 to M.K.), the Academy of Finland Centre of Excellence in Molecular Systems Immunology and Physiology Research 2012-17, No. 250114 to M.K. and M.O.). Further support was received by the Academy of Finland postdoctoral grant (No. 323171 to S.L.) and the Medical Research Funds, Tampere and Helsinki University Hospitals (to M.K.).
Project Comments:Parts 1, 2 and 3
Contributors:Santosh Lamichhane, Heli Siljander, Daniel Duberg, Jorma Ilonen, Suvi M. Virtanen, Matej Oreši?, Mikael Knip, Tuulia Hyötyläinen


Subject ID:SU001762
Subject Type:Human
Subject Species:Homo sapiens
Taxonomy ID:9606
Gender:Not applicable


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

mb_sample_id local_sample_id Sample Code QTL
SA155410427 _23 months Q1
SA155411399 _23 months Q1
SA155412820 _23 months Q1
SA155413261 _23 months Q1
SA155414969 _23 months Q1
SA15541518 _23 months Q1
SA155416776 _23 months Q1
SA1554171348 _23 months Q1
SA155418201 _23 months Q1
SA155419757 _23 months Q1
SA1554201300 _23 months Q1
SA155421808 _23 months Q2
SA155422792 _23 months Q2
SA155423353 _23 months Q2
SA155424327 _23 months Q2
SA15542584 _23 months Q2
SA15542638 _23 months Q2
SA1554271294 _23 months Q2
SA155428259 _23 months Q2
SA155429739 _23 months Q2
SA155430305 _23 months Q2
SA155431297 _23 months Q2
SA155432764 _23 months Q3
SA1554331098 _23 months Q3
SA155434487 _23 months Q3
SA155435346 _23 months Q3
SA15543674 _23 months Q3
SA15543772 _23 months Q3
SA15543859 _23 months Q3
SA155439369 _23 months Q3
SA155440450 _23 months Q3
SA155441510 _23 months Q3
SA155442568 _23 months Q4
SA155443226 _23 months Q4
SA155444744 _23 months Q4
SA155445740 _23 months Q4
SA1554461172 _23 months Q4
SA155447514 _23 months Q4
SA155448806 _23 months Q4
SA155449673 _23 months Q4
SA155450901 _23 months Q4
SA155451471 _23 months Q4
SA155452333 _23 months Q4
Showing results 1 to 43 of 43


Collection ID:CO001755
Collection Summary:Blood samples were collected for this study. Plasma was separated within 30 minutes after the blood collection by centrifugation at room temperature. The plasma samples were stored at −80 °C until analyzed.
Sample Type:Blood (plasma)
Storage Conditions:-80℃


Treatment ID:TR001775
Treatment Summary:Sample were stored at -80 as it is, no treatment done.

Sample Preparation:

Sampleprep ID:SP001768
Sampleprep Summary:The serum samples were extracted as follows after randomization of the samples. 90 µl of ecetonitrile (containing the BA+PFAS internal standard mixture (c=200 ng/mL PFASs and 1000 ng/mL Bile acids in acetonitrile) was added to the 40 µl of serum samples. The samples were then vortexted and centrifuged (9600 RCF, 10 minutes). 90 µl of the supernatant was collected and evaporated to dryness. The samples were reconstituted with 40 µl of MeOH/H2O (40%/60%).

Combined analysis:

Analysis ID AN002752
Analysis type MS
Chromatography type Reversed phase
Chromatography system Waters Acquity UPLC
Column BEH C18
MS instrument type QTOF
MS instrument name Agilent 6210 TOF
Units ng/ml


Chromatography ID:CH002033
Chromatography Summary:Column name, BEH C18 (2.1 x 100 mm, particle size 1.7 µm) (Waters Corporation, Milford, MA, USA)
Instrument Name:Waters Acquity UPLC
Column Name:BEH C18
Chromatography Type:Reversed phase


MS ID:MS002549
Analysis ID:AN002752
Instrument Name:Agilent 6210 TOF
Instrument Type:QTOF
MS Comments:PFASs were analysed on a UHPLC-qTOF/MS (Agilent Technologies, Santa Clara, CA, The United States of America) with Acquity UPLC®, BEH C18 (2.1 x 100 mm, particle size 1.7 µm) (Waters Corporation, Milford, MA, The United States of America) column at 50°C with a C18 pre-column for column protection (Waters Corporation, Wexford, Ireland). Mobile phases used for the sample analysis were A: 2mM NH4Ac in H2O:MeOH (70:30) and B: 2mM NH4Ac in MeOH. NH4Ac was used as ionization agent. The samples were kept at 10°C during the whole sample acquisition and 1 µl of the sample volume was injected. The flow rate was set to 0.4 ml/min and the gradient started with 95%A and 5%B with a change after 1.5 minute to 70%A and 30%B, which followed a change after 4.5 minutes to 30%A and 70%B, the last change was after 7.5 minutes with 100%B until the end of run. Gradient program was 18 minutes long. 13 minutes for sample analysis and 5 minutes for clean-up, including equilibration in the end of the run. Maximum pressure limit in the binary pump was set on 850 bar. Dual jet stream electrospray (dual ESI) ion source was used and the ion polarity was on negative mode. The capillary voltage and the nozzle voltage were kept at 4500 V and 1500 V. The N2 pressure was set on 21 psi, with the sheath gas flow as 11 L/min and temperature at 379°C for the nebulizer. The data was acquired with MassHunter B.06.01 software (Agilent Technologies, Santa Clara, CA, The United States of America). MS data processing was performed using open source software MZmine 2.52 (Pluskal et al. 2010).