Summary of Study ST002427
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 PR001561. The data can be accessed directly via it's Project DOI: 10.21228/M8XD8F 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.
| Study ID | ST002427 |
| Study Title | Dansylated Human Plasma at Known Light-Heavy Mixing Ratios |
| Study Type | MS isotopic labeling analysis |
| Study Summary | Pooled 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. |
| Institute | University of North Carolina Greensboro |
| Last Name | Zhang |
| First Name | Qibin |
| Address | 600 Laureate Way, Suite 2203, Kannapolis, NC 28081 |
| q_zhang2@uncg.edu | |
| Phone | +1 (704) 250-5810 |
| Submit Date | 2022-12-21 |
| Raw Data Available | Yes |
| Raw Data File Type(s) | d |
| Analysis Type Detail | LC-MS |
| Release Date | 2023-01-20 |
| Release Version | 1 |
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 Type | ESI |
| MS instrument type | Orbitrap |
| MS instrument name | Thermo Q Exactive HF hybrid Orbitrap |
| Ion Mode | POSITIVE |
| Units | unitless L/H ratio |
MS:
| MS ID: | MS003685 |
| Analysis ID: | AN003950 |
| Instrument Name: | Thermo Q Exactive HF hybrid Orbitrap |
| Instrument Type: | Orbitrap |
| MS Type: | ESI |
| 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. |
| Ion Mode: | POSITIVE |
| Capillary Temperature: | 300 C |
| Ion Spray Voltage: | 3000 V |
| Analysis Protocol File: | DansylatedHumanPlasma.pdf |
