Summary of Study ST001332

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 PR000904. The data can be accessed directly via it's Project DOI: 10.21228/M8TX11 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 IDST001332
Study TitleLCMS lipid and acyl-carnitine analysis
Study SummaryLCMS Lipidomics and acyl-carnitine analysis.
Institute
University of Cambridge
LaboratoryCMaLL
Last NameJenkins
First NameBenjamin
AddressDepartment of Biochemistry, University of Cambridge, c/o Level 4, Pathology Building
Emailbjj25@medschl.cam.ac.uk
Phone07731103718
Submit Date2020-01-09
Raw Data AvailableYes
Raw Data File Type(s)raw(Thermo)
Analysis Type DetailLC-MS
Release Date2020-03-30
Release Version1
Benjamin Jenkins Benjamin Jenkins
https://dx.doi.org/10.21228/M8TX11
ftp://www.metabolomicsworkbench.org/Studies/ application/zip

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Combined analysis:

Analysis ID AN002221
Analysis type MS
Chromatography type Reversed phase
Chromatography system Shimadzu 20AD
Column Waters Acquity UPLC CSH C18(50 x 2.1mm ,1.7um)
MS Type ESI
MS instrument type Orbitrap
MS instrument name Thermo Exactive
Ion Mode UNSPECIFIED
Units Area ratio

Chromatography:

Chromatography ID:CH001629
Chromatography Summary:Full chromatographic separation of intact lipids (4) was achieved using Shimadzu HPLC System (Shimadzu UK Limited, Milton Keynes, United Kingdom) with the injection of 10 µL onto a Waters Acquity UPLC® CSH C18 column; 1.7 µm, I.D. 2.1 mm X 50 mm, maintained at 55 °C. Mobile phase A was 6:4, acetonitrile and water with 10 mM ammonium formate. Mobile phase B was 9:1, propan-2-ol and acetonitrile with 10 mM ammonium formate. The flow was maintained at 500 µL per minute through the following gradient: 0.00 minutes_40% mobile phase B; 0.40 minutes_43% mobile phase B; 0.45 minutes_50% mobile phase B; 2.40 minutes_54% mobile phase B; 2.45 minutes_70% mobile phase B; 7.00 minutes_99% mobile phase B; 8.00 minutes_99% mobile phase B; 8.3 minutes_40% mobile phase B; 10 minutes_40% mobile phase B; 10.00 minutes_40% mobile phase B. The sample injection needle was washed using 9:1, 2-propan-2-ol and acetonitrile with 0.1 % formic acid. The mass spectrometer used was the Thermo Scientific Exactive Orbitrap with a heated electrospray ionisation source (Thermo Fisher Scientific, Hemel Hempstead, UK). The mass spectrometer was calibrated immediately before sample analysis using positive and negative ionisation calibration solution (recommended by Thermo Scientific). Additionally, the heated electrospray ionisation source was optimised at 50:50 mobile phase A to mobile phase B for spray stability (capillary temperature; 380 °C, source heater temperature; 420 °C, sheath gas flow; 60 (arbitrary), auxiliary gas flow; 20 (arbitrary), sweep gas; 5 (arbitrary), source voltage; 3.5 kV. The mass spectrometer resolution was set to 25,000 with a full-scan range of m/z 100 to 1,800 Da, with continuous switching between positive and negative mode. Lipid quantification was achieved using the area under the curve (AUC) of the corresponding high resolution extracted ion chromatogram (with a window of ± 8 ppm) at the indicative retention time. The lipid analyte AUC relative to the associated internal standard AUC for that lipid class was used to semi-quantify and correct for any extraction/instrument variation.
Instrument Name:Shimadzu 20AD
Column Name:Waters Acquity UPLC CSH C18(50 x 2.1mm ,1.7um)
Column Temperature:55
Flow Gradient:0.00 minutes_40% mobile phase B; 0.40 minutes_43% mobile phase B; 0.45 minutes_50% mobile phase B; 2.40 minutes_54% mobile phase B; 2.45 minutes_70% mobile phase B; 7.00 minutes_99% mobile phase B; 8.00 minutes_99% mobile phase B; 8.3 minutes_40% mobile phase B; 10 minutes_40% mobile phase B; 10.00 minutes_40% mobile phase B. The sample injection needle was washed using 9:1, 2-propan-2-ol and acetonitrile with 0.1 % formic acid.
Flow Rate:500 µL/min
Solvent A:60% acetonitrile/40% water; 10 mM ammonium formate
Solvent B:90% isopropanol/10% acetonitrile; 10 mM ammonium formate
Chromatography Type:Reversed phase
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