Summary of Study ST001689

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.

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Study IDST001689
Study TitleExposure to per- and polyfluoroalkyl substances associates with altered lipid profile of breast milk (Part 1)
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)mzML
Analysis Type DetailLC-MS
Release Date2021-10-02
Release Version1
Santosh Lamichhane Santosh Lamichhane application/zip

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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:SU001766
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
SA156556369 _23 months
SA156557353 _23 months
SA156558333 _23 months
SA156559388 _23 months
SA156560346 _23 months
SA156561399 _23 months
SA156562471 _23 months
SA156563450 _23 months
SA156564427 _23 months
SA156565327 _23 months
SA156566297 _23 months
SA15656784 _23 months
SA15656874 _23 months
SA15656972 _23 months
SA15657059 _23 months
SA156571201 _23 months
SA156572226 _23 months
SA156573487 _23 months
SA156574261 _23 months
SA156575259 _23 months
SA156576305 _23 months
SA156577514 _23 months
SA156578969 _23 months
SA156579901 _23 months
SA156580820 _23 months
SA156581808 _23 months
SA1565821098 _23 months
SA1565831172 _23 months
SA1565841348 _23 months
SA1565851300 _23 months
SA1565861294 _23 months
SA156587806 _23 months
SA156588792 _23 months
SA156589739 _23 months
SA156590673 _23 months
SA156591568 _23 months
SA15659238 _23 months
SA156593740 _23 months
SA156594744 _23 months
SA156595776 _23 months
SA156596764 _23 months
SA156597757 _23 months
SA156598510 _23 months
SA15659918 _23 months
SA156600353 _1Delivery
SA156601346 _1Delivery
SA156602333 _1Delivery
SA156603327 _1Delivery
SA156604369 _1Delivery
SA156605388 _1Delivery
SA156606471 _1Delivery
SA156607450 _1Delivery
SA156608427 _1Delivery
SA156609399 _1Delivery
SA156610305 _1Delivery
SA156611297 _1Delivery
SA15661274 _1Delivery
SA15661372 _1Delivery
SA15661459 _1Delivery
SA15661538 _1Delivery
SA15661684 _1Delivery
SA156617201 _1Delivery
SA156618261 _1Delivery
SA156619259 _1Delivery
SA156620226 _1Delivery
SA156621487 _1Delivery
SA156622510 _1Delivery
SA156623969 _1Delivery
SA156624901 _1Delivery
SA156625820 _1Delivery
SA156626808 _1Delivery
SA1566271098 _1Delivery
SA1566281172 _1Delivery
SA1566291348 _1Delivery
SA1566301300 _1Delivery
SA1566311294 _1Delivery
SA156632806 _1Delivery
SA156633792 _1Delivery
SA156634739 _1Delivery
SA156635673 _1Delivery
SA156636568 _1Delivery
SA156637514 _1Delivery
SA156638740 _1Delivery
SA156639744 _1Delivery
SA156640776 _1Delivery
SA156641764 _1Delivery
SA156642757 _1Delivery
SA15664318 _1Delivery
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Collection ID:CO001759
Collection Summary:Breast milk samples were collected at room temperature and stored at −80 °C until analyzed.
Sample Type:Breast milk


Treatment ID:TR001779
Treatment Summary:Sample were stored at -80 as it is, no treatment done.

Sample Preparation:

Sampleprep ID:SP001772
Sampleprep Summary:30 µl breast milk sample or 10 µl of serum of was extracted with using a modified version of the previously published Folch procedure (Nygren et al. 2011). In short, 10 µL of 0.9% NaCl and, 120 µL of CHCl3: MeOH (2:1, v/v) containing the internal standards (c = 2.5 µg/mL) was added to the sample. The standard solution contained the following compounds: 1,2-diheptadecanoyl-sn-glycero-3-phosphoethanolamine (PE(17:0/17:0)), N-heptadecanoyl-D-erythro-sphingosylphosphorylcholine (SM(d18:1/17:0)), N-heptadecanoyl-D-erythro-sphingosine (Cer(d18:1/17:0)), 1,2-diheptadecanoyl-sn-glycero-3-phosphocholine (PC(17:0/17:0)), 1-heptadecanoyl-2-hydroxy-sn-glycero-3-phosphocholine (LPC(17:0)) and 1-palmitoyl-d31-2-oleoyl-sn-glycero-3-phosphocholine (PC(16:0/d31/18:1)), were purchased from Avanti Polar Lipids, Inc. (Alabaster, AL, USA), and, triheptadecanoylglycerol (TG(17:0/17:0/17:0)) was purchased from Larodan AB (Solna, Sweden). The samples were vortex mixed and incubated on ice for 30 min after which they were centrifuged (9400 × g, 3 min). 60 µL from the lower layer of each sample was then transferred to a glass vial with an insert and 60 µL of CHCl3: MeOH (2:1, v/v) was added to each sample. The samples were stored at -80 °C until analysis.

Combined analysis:

Analysis ID AN002759
Analysis type MS
Chromatography type Reversed phase
Chromatography system Waters Acquity UPLC
Column Waters Acquity CSH C18 (100 x 2.1mm, 1.7um)
MS instrument type QTOF
MS instrument name Agilent 6210 TOF
Units ng/ml


Chromatography ID:CH002039
Chromatography Summary:BEH C18 (2.1 x 100 mm, particle size 1.7 µm) (Waters Corporation, Milford, MA, USA)
Instrument Name:Waters Acquity UPLC
Column Name:Waters Acquity CSH C18 (100 x 2.1mm, 1.7um)
Chromatography Type:Reversed phase


MS ID:MS002556
Analysis ID:AN002759
Instrument Name:Agilent 6210 TOF
Instrument Type:QTOF
MS Comments: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).