Summary of Study ST002492
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 PR001609. The data can be accessed directly via it's Project DOI: 10.21228/M8QH77 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 | ST002492 |
| Study Title | Composition of raw plant-based food items |
| Study Type | Composition of food |
| Study Summary | The goal of this study was to use metabolomics as a platform to elucidate the chemical composition of plants in order to increase their resolution and in turn use the identified chemicals to reveal potential health impacts. 20 plant foods were studied: apple, banana, tomato, lettuce, strawberry, carrot, peach, onion, spinach, pepper, corn, garlic, basil, potato, soybean, black bean, olive, chickpea, sugarbeet, and pear. |
| Institute | Northeastern University; Massachusets Institute of Technology |
| Department | Department of Physics |
| Laboratory | BarabasiLab |
| Last Name | Barabasi |
| First Name | Albert-Laszlo |
| Address | 177 Huntington Ave, 11th Floor, Boston, MA, 02115, USA |
| ccnrad@gmail.com | |
| Phone | 6173734071 |
| Submit Date | 2023-02-21 |
| Analysis Type Detail | LC-MS |
| Release Date | 2023-02-27 |
| Release Version | 1 |
Select appropriate tab below to view additional metadata details:
Combined analysis:
| Analysis ID | AN004081 | AN004082 | AN004083 | AN004084 |
|---|---|---|---|---|
| Analysis type | MS | MS | MS | MS |
| Chromatography type | Reversed phase | Reversed phase | Reversed phase | HILIC |
| Chromatography system | Waters Acquity | Waters Acquity | Waters Acquity | Waters Acquity |
| Column | Waters ACQUITY UPLC BEH C18 (100 x 2.1mm,1.7um) | Waters ACQUITY UPLC BEH C18 (100 x 2.1mm,1.7um) | Waters ACQUITY UPLC BEH C18 (100 x 2.1mm,1.7um) | Waters ACQUITY UPLC 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 Focus | Thermo Q Exactive Focus | Thermo Q Exactive Focus | Thermo Q Exactive Focus |
| Ion Mode | POSITIVE | POSITIVE | NEGATIVE | NEGATIVE |
| Units | Peak area | Peak area | Peak area | Peak area |
Chromatography:
| Chromatography ID: | CH003023 |
| Instrument Name: | Waters Acquity |
| Column Name: | Waters ACQUITY UPLC BEH C18 (100 x 2.1mm,1.7um) |
| Column Temperature: | 65C |
| Flow Gradient: | 0-1 min 99% (A), 1-13min 99%-65% (A), 13-14.5min 65%-30% (A), 14.5-15.5min 30%-1% (A), 15.5-17min 1% (A), 17-17.5min 1%-99% (A) |
| Flow Rate: | 0.6 mL/min |
| Solvent A: | 100% water; 0.05% perfluoropentanoic acid; 0.1% formic acid |
| Solvent B: | 95% methanol/5% water; 0.05% perfluoropentanoic acid; 0.1% formic acid |
| Chromatography Type: | Reversed phase |
| Chromatography ID: | CH003024 |
| Instrument Name: | Waters Acquity |
| Column Name: | Waters ACQUITY UPLC BEH C18 (100 x 2.1mm,1.7um) |
| Column Temperature: | 65C |
| Flow Gradient: | 0-1min 45% (A), 1-4min 45%-35% (A), 4-12min 25%-11% (A), 12-15min 11%-1% (A) |
| Flow Rate: | 0.6 mL/min |
| Solvent A: | 95% methanol/5% water; 6.5mM Ammonium Bicarbonate at pH 8 |
| Solvent B: | 70% acetonitrile/30% water; 6.5mM Ammonium Bicarbonate at pH 8 |
| Chromatography Type: | Reversed phase |
| Chromatography ID: | CH003025 |
| Instrument Name: | Waters Acquity |
| Column Name: | Waters ACQUITY UPLC BEH Amide (150 x 2.1mm,1.7um) |
| Column Temperature: | 40C |
| Flow Gradient: | 0-4min 100% (A), 4-6min 100%-50% (A), 6-11min 50%-20% (A), 11-12min 20%-0% (A), 12-14min 0% (A) |
| Flow Rate: | 0.4 mL/min |
| Solvent A: | 100% water; 10mM Ammonium Formate, pH 10.8 |
| Solvent B: | 100% acetonitrile; 10mM Ammonium Formate, pH 10.8 |
| Chromatography Type: | HILIC |
