Summary of Study ST002427

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 PR001561. The data can be accessed directly via it's Project DOI: 10.21228/M8XD8F 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 IDST002427
Study TitleDansylated Human Plasma at Known Light-Heavy Mixing Ratios
Study TypeMS isotopic labeling analysis
Study SummaryPooled human plasma was split and tagged with either light or heavy dansyl chloride and then recombined at known light-to-heavy ratios for LC-MS analysis and subsequent testing of isotopic labeling software.
University of North Carolina Greensboro
Last NameZhang
First NameQibin
Address600 Laureate Way, Suite 2203, Kannapolis, NC 28081
Phone+1 (704) 250-5810
Submit Date2022-12-21
Raw Data AvailableYes
Raw Data File Type(s)d
Analysis Type DetailLC-MS
Release Date2023-01-20
Release Version1
Qibin Zhang Qibin Zhang application/zip

Select appropriate tab below to view additional metadata details:

Combined analysis:

Analysis ID AN003950
Analysis type MS
Chromatography type Reversed phase
Chromatography system Thermo Vanquish
Column Waters ACQUITY UPLC BEH C18 (100 x 2.1mm,1.7um)
MS instrument type Orbitrap
MS instrument name Thermo Q Exactive HF hybrid Orbitrap
Units unitless L/H ratio


MS ID:MS003685
Analysis ID:AN003950
Instrument Name:Thermo Q Exactive HF hybrid Orbitrap
Instrument Type:Orbitrap
MS Comments:A Thermo Scientific Vanquish Horizon UHPLC System coupled with a Thermo Scientific Q Exactive HF Orbitrap was used to conduct LC-(+)FTMS analysis. Ionization for FTMS analysis utilized a HESI source in the positive mode with spray voltage 3 kV, capillary temperature 300 ºC, sheath gas flowrate 35 au, aux gas flowrate 10 au, spare gas flowrate 2 au, max spray current 100 V, probe heater temperature 300 ºC, and S-lens RF level 50 V. FTMS scanning was full MS1 in the range 250 to 1000 m/z with maximum IT 200 ms, AGC target 5x105, and mass resolution 60,000. MS-DIAL v4.9.2 was used to perform peak alignment and annotation. The novel MS-DIAL addon Peak Pair Pruner was used to perform peak pair validation and quantitation with light-to-heavy ratio reporting and corrections for background peaks and isotopic overlap between the light and heavy tags.
Capillary Temperature:300 C
Ion Spray Voltage:3000 V
Analysis Protocol File:DansylatedHumanPlasma.pdf