Summary of Study ST002238
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 PR001428. The data can be accessed directly via it's Project DOI: 10.21228/M84Q4W 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 | ST002238 |
| Study Title | LC-HRMS based plasma metabolomics analysis for biomarker discovery of neuroblastoma: 3-O-methyldopa is a new biomarker of poor prognosis of metastatic disease |
| Study Type | Biomarker Discovery |
| Study Summary | In this paper we show for the first time a metabolomic-based biomarker discovery using HRMS applied to plasma of NB patients and its validation on a second independent cohort of patients using a different analytical method. |
| Institute | Istituto Giannina Gaslini |
| Last Name | Lavarello |
| First Name | Chiara |
| Address | Via Gaslini 5, Genoa, GE, 16147, Italy |
| chiaralavarello@gaslini.org | |
| Phone | +3901056362911 |
| Submit Date | 2021-10-15 |
| Raw Data Available | Yes |
| Raw Data File Type(s) | mzML |
| Analysis Type Detail | LC-MS |
| Release Date | 2022-08-17 |
| Release Version | 1 |
Select appropriate tab below to view additional metadata details:
Combined analysis:
| Analysis ID | AN003651 | AN003652 | AN003653 | AN003654 |
|---|---|---|---|---|
| Analysis type | MS | MS | MS | MS |
| Chromatography type | Reversed phase | Reversed phase | HILIC | HILIC |
| Chromatography system | Thermo Vanquish | Thermo Vanquish | Thermo Vanquish | Thermo Vanquish |
| Column | Waters Acquity BEH C18 (150 x 2mm,1.7um) | Waters Acquity BEH C18 (100 x 2mm,1.7um) | Waters Acquity BEH Amide (150 x 2.1mm,1.7um) | Waters Acquity BEH Amide (150 x 2.1mm,1.7um) |
| MS Type | ESI | ESI | ESI | ESI |
| MS instrument type | Orbitrap | Orbitrap | Orbitrap | Orbitrap |
| MS instrument name | Thermo Q Exactive Plus Orbitrap | Thermo Q Exactive Plus Orbitrap | Thermo Q Exactive Plus Orbitrap | Thermo Q Exactive Plus Orbitrap |
| Ion Mode | POSITIVE | NEGATIVE | POSITIVE | NEGATIVE |
| Units | Peak area | Peak area | Peak area | Peak area |
Chromatography:
| Chromatography ID: | CH002705 |
| Chromatography Summary: | Reverse phase column was eluted with 99% of mobile phase A (0.1% formic acid in water) for 0.1 min followed by a linear gradient to 100% of mobile phase B (0.1% formic acid in acetonitrile) over 15 min, then kept constant for 5 min, brought back to the initial conditions in 0.5 min, and maintained for 5 min. |
| Instrument Name: | Thermo Vanquish |
| Column Name: | Waters Acquity BEH C18 (150 x 2mm,1.7um) |
| Flow Gradient: | 99% of A for 0.1 min followed by a linear gradient to 100% of B over 15 min, then kept constant for 5 min, brought back to the initial conditions in 0.5 min, and maintained for 5 min. |
| Flow Rate: | 250 µl/min |
| Injection Temperature: | 40 |
| Solvent A: | 100% water; 0.1% formic acid |
| Solvent B: | 100% acetonitrile; 0.1% formic acid |
| Randomization Order: | yes |
| Chromatography Type: | Reversed phase |
| Chromatography ID: | CH002706 |
| Chromatography Summary: | Reverse phase column was eluted with 99% of mobile phase A (0.1% formic acid in water) for 0.1 min followed by a linear gradient to 100% of mobile phase B (0.1% formic acid in acetonitrile) over 15 min, then kept constant for 5 min, brought back to the initial conditions in 0.5 min, and maintained for 5 min. |
| Instrument Name: | Thermo Vanquish |
| Column Name: | Waters Acquity BEH C18 (100 x 2mm,1.7um) |
| Flow Gradient: | 99% of A for 0.1 min followed by a linear gradient to 100% of B over 15 min, then kept constant for 5 min, brought back to the initial conditions in 0.5 min, and maintained for 5 min. |
| Flow Rate: | 250 µl/min |
| Injection Temperature: | 40 |
| Solvent A: | 100% water; 0.1% formic acid |
| Solvent B: | 100% acetonitrile; 0.1% formic acid |
| Randomization Order: | yes |
| Chromatography Type: | Reversed phase |
| Chromatography ID: | CH002707 |
| Chromatography Summary: | HILIC column was eluted at a flow rate of 200 µl/min with 90% of mobile phase B (acetonitrile) for 0.1 min followed by a linear gradient to 70% of mobile phase A ( H2O 5 mM ammonium formate, pH 3) over 15 min, then kept constant for 5 min, brought back to the initial conditions in 0.5 min, and maintained for 9 min. |
| Instrument Name: | Thermo Vanquish |
| Column Name: | Waters Acquity BEH Amide (150 x 2.1mm,1.7um) |
| Flow Gradient: | 90% of mobile phase B for 0.1 min followed by a linear gradient to 70% of mobile phase A over 15 min, then kept constant for 5 min, brought back to the initial conditions in 0.5 min, and maintained for 9 min. |
| Flow Rate: | 200 µl/min |
| Injection Temperature: | 25 |
| Solvent A: | 100% water; 5 mM ammonium formate, pH 3 |
| Solvent B: | 100% acetonitrile |
| Randomization Order: | yes |
| Chromatography Type: | HILIC |
| Chromatography ID: | CH002708 |
| Chromatography Summary: | HILIC column was eluted at a flow rate of 200 µl/min with 90% of mobile phase B (acetonitrile) for 0.1 min followed by a linear gradient to 70% of mobile phase A ( H2O 5 mM ammonium formate, pH 3) over 15 min, then kept constant for 5 min, brought back to the initial conditions in 0.5 min, and maintained for 9 min. |
| Instrument Name: | Thermo Vanquish |
| Column Name: | Waters Acquity BEH Amide (150 x 2.1mm,1.7um) |
| Flow Gradient: | 90% of mobile phase B for 0.1 min followed by a linear gradient to 70% of mobile phase A over 15 min, then kept constant for 5 min, brought back to the initial conditions in 0.5 min, and maintained for 9 min. |
| Flow Rate: | 200 µl/min |
| Injection Temperature: | 25 |
| Solvent A: | 100% water; 5 mM ammonium formate, pH 3 |
| Solvent B: | 100% acetonitrile |
| Randomization Order: | yes |
| Chromatography Type: | HILIC |
