Summary of Study ST001776

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 PR001130. The data can be accessed directly via it's Project DOI: 10.21228/M8N706 This work is supported by NIH grant, U2C- DK119886.

See: https://www.metabolomicsworkbench.org/about/howtocite.php

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 IDST001776
Study TitleMetabolic Response of HEK 293 Cells Exposed to Methylmercury
Study SummaryHEK 293 cells were treated with 7.5 μM methylmercury (HgMe) for 48 h. Metabolites were extracted and subjected to LC-HRMS based metabolomics. LC-HRMS data were processed by SIEVE2.2 software. Metabolites associated with HgMe toxicity were screened and identified.
Institute
University of Macau
Last NameZhang
First Namepw
AddressTaipa, Macau SAR, China
Emailyb47620@um.edu.mo
Phone8613924251358
Submit Date2021-04-27
Raw Data AvailableYes
Raw Data File Type(s)mzXML
Analysis Type DetailLC-MS
Release Date2022-01-02
Release Version1
pw Zhang pw Zhang
https://dx.doi.org/10.21228/M8N706
ftp://www.metabolomicsworkbench.org/Studies/ application/zip

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Combined analysis:

Analysis ID AN002883
Analysis type MS
Chromatography type HILIC
Chromatography system Thermo Dionex Ultimate 3000 RS
Column Thermo Accucore HILIC (100 x 2.1mm,2.6um)
MS Type ESI
MS instrument type Orbitrap
MS instrument name Thermo Q Exactive Orbitrap
Ion Mode POSITIVE
Units arbitray unit

MS:

MS ID:MS002676
Analysis ID:AN002883
Instrument Name:Thermo Q Exactive Orbitrap
Instrument Type:Orbitrap
MS Type:ESI
MS Comments:The MS acquisition parameters were as follows: spray voltage, 3.5 kV; capillary temperature, 320 °C; sheath gas flow rate, 45; auxiliary gas flow rate, 25; heater temperature 350 °C; AGC, 3×106; maximum injection time, 200 ms; mass scan range, 50–750; full MS resolution, 70,000 FWHM at m/z 200; spectrum data type, profile. The raw LC-HRMS files for the same study were processed in one batch using the label-free differential analysis software (SIEVE 2.2, Thermo Scientific), in which the ChromAlign algorithm was used. The key parameters for the feature extraction were as follows: signal to background noise,>3; Mzstep accuracy, 10 ppm, minimum peak intensity 200,000; minimum peak scan points, 5; minimum isotopes,1.
Ion Mode:POSITIVE
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