Summary of Study ST001359

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 PR000929. The data can be accessed directly via it's Project DOI: 10.21228/M8M98M 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 IDST001359
Study TitleMonophasic lipidomics extraction in cancer cell line
Study TypeLipidomics
Study SummaryWe performed a comprehensive characterization of a monophasic extraction method in cancer cell lines. We used pharmacological perturbation on HepG2 cells to identify changes in different lipid families. We optimized the MS parameters, the chromatography and the data analysis to perform rapid and robust lipidomics analysis from cell lines.
Institute
Beatson Institute for Cancer Research
DepartmentMetabolomics
LaboratoryMetabolomics
Last NameRodriguez Blanco
First NameGiovanny
AddressGarscube State, Switchback road, Glasgow
Emailg.blanco@ed.ac.uk
Phone+447526056849
Submit Date2020-03-26
Raw Data AvailableYes
Raw Data File Type(s)raw(Thermo)
Analysis Type DetailLC-MS
Release Date2020-09-29
Release Version1
Giovanny Rodriguez Blanco Giovanny Rodriguez Blanco
https://dx.doi.org/10.21228/M8M98M
ftp://www.metabolomicsworkbench.org/Studies/ application/zip

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Combined analysis:

Analysis ID AN002263
Analysis type MS
Chromatography type Reversed phase
Chromatography system Ultimate 3000
Column Waters Acquity CSH C18 (100 x 2.1mm,1.7um)
MS Type ESI
MS instrument type Orbitrap
MS instrument name Thermo Q Exactive Orbitrap
Ion Mode POSITIVE
Units Normalised peak area

MS:

MS ID:MS002107
Analysis ID:AN002263
Instrument Name:Thermo Q Exactive Orbitrap
Instrument Type:Orbitrap
MS Type:ESI
MS Comments:Thermo Q-Exactive Orbitrap MS instrument was operated in both positive and negative polarities, using the following parameters: mass range 240-1200 m/z (positive) and 240-1600 (negative), spray voltage 3.8kV (ESI+) and 3kV (ESI-), sheath gas (nitrogen) flow rate 60 units, auxiliary gas (nitrogen) flow rate 25 units, capillary temperature (320°C), full scan MS1 mass resolving power 70,000. Data dependent fragmentation (dd-MS/MS) parameters for each polarity as follows: TopN: 10, resolution 17,500 units, maximum injection time: 25 ms, automatic gain control target: 5e5 and normalised collision energy of 20 and 25 (arbitrary units) in positive polarity. TopN: 5, resolution 17,500 units, maximum injection time: 80 ms automatic gain control target: 5e5 and normalised collision energy of 20 and 30 (arbitrary units) in negative polarity. The instrument was externally calibrated to <1ppm using ESI positive and negative calibration solutions (Thermo Fisher Scientific).
Ion Mode:POSITIVE
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