Summary of Study ST002493
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 | ST002493 |
| Study Title | Composition of raw plant-based food items Pilot Study |
| Study Type | Composition of food |
| Study Summary | The goal of this pilot study was to be a preliminary metabolomics study on the platforms used 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. In this pilot we focused on 6 food items: apple, basil, lettuce, strawberry, tomato, and garlic. |
| 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 |
| Study Comments | This study is a joint project between Northeastern University and MIT |
| 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 | AN004085 | AN004086 | AN004087 | AN004088 | AN004089 | AN004090 | AN004091 |
|---|---|---|---|---|---|---|---|
| Analysis type | MS | MS | MS | MS | MS | MS | MS |
| Chromatography type | GC | HILIC | HILIC | Reversed phase | Reversed phase | Normal phase | Normal phase |
| Chromatography system | Agilent 6890N | Waters Acquity | Waters Acquity | Waters Acquity | Waters Acquity | Thermo Vanquish | Thermo Vanquish |
| Column | Restek Rtx-5Sil MS (30 x 0.25mm, 0.25um) | Waters ACQUITY UPLC BEH Amide (150 x 2.1mm,1.7um) | Waters ACQUITY UPLC BEH Amide (150 x 2.1mm,1.7um) | Waters ACQUITY UPLC CSH C18 (100 x 2.1mm,1.7um) | Waters ACQUITY UPLC CSH C18 (100 x 2.1mm,1.7um) | Phenomenex Kinetex PFP (100 x 2.1mm,2.6um) | Phenomenex Kinetex PFP (100 x 2.1mm,2.6um) |
| MS Type | ESI | ESI | ESI | ESI | ESI | ESI | ESI |
| MS instrument type | GC-TOF | QTOF | QTOF | QTOF | QTOF | Orbitrap | Orbitrap |
| MS instrument name | Leco Pegasus IV TOF | Agilent 6530 QTOF | Agilent 6530 QTOF | Agilent 6530 QTOF | Agilent 6550 QTOF | Thermo Q Exactive Orbitrap | Thermo Q Exactive Orbitrap |
| Ion Mode | UNSPECIFIED | POSITIVE | NEGATIVE | POSITIVE | NEGATIVE | POSITIVE | NEGATIVE |
| Units | peak intensity | peak intensity | peak intensity | peak intensity | peak intensity | peak intensity | peak intensity |
Chromatography:
| Chromatography ID: | CH003026 |
| Instrument Name: | Agilent 6890N |
| Column Name: | Restek Rtx-5Sil MS (30 x 0.25mm, 0.25um) |
| Column Temperature: | Initial 50C to final 330C |
| Flow Gradient: | 50C for 1min, then ramped at 20C/min to 330C then held constant for 5 min |
| Flow Rate: | 1 mL/min |
| Injection Temperature: | 50C ramped to 250C by 12C/s |
| Solvent A: | None |
| Solvent B: | None |
| Oven Temperature: | 50C for 1min, then ramped at 20C/min to 330C then held constant for 5 min |
| Chromatography Type: | GC |
| Chromatography ID: | CH003027 |
| Instrument Name: | Waters Acquity |
| Column Name: | Waters ACQUITY UPLC BEH Amide (150 x 2.1mm,1.7um) |
| Column Temperature: | 40C |
| Flow Gradient: | 0-2 min 100% (B), 2-7 min 100%-70% (B), 7.7-9 min 100%-40% (B), 9.5-10.25 min 40%-30% (B), 10.25-12.75 min 30%-100% (B), 12.75-16.75 min 100% (B) |
| Flow Rate: | 0.4 mL/min |
| Solvent A: | 100% water; 10 mM ammonium formiate; 0.125% formic acid |
| Solvent B: | 95% acetonitrile/5% water; 10 mM ammonium formiate; 0.125% formic acid |
| Chromatography Type: | HILIC |
| Chromatography ID: | CH003028 |
| Instrument Name: | Waters Acquity |
| Column Name: | Waters ACQUITY UPLC CSH C18 (100 x 2.1mm,1.7um) |
| Column Temperature: | 65C |
| Flow Gradient: | 0 min 15% (B), 0–2 min 15%-30% (B), 2–2.5 min to 30%-48% (B), 2.5–11 min to 48%-82% (B), 11–11.5 min to 82%-99% (B), 11.5–12 min 99% (B), 12–12.1 min to 99%-15% (B), 12.1–15 min 15% (B) |
| Flow Rate: | 0.6 mL/min |
| Solvent A: | 60% acetonitrile/40% water; 10 mM ammonium formate; 0.1% formic acid |
| Solvent B: | 90% isopropanol/10% acetonitrile; 10 mM ammonium formate; 0.1% formic acid |
| Chromatography Type: | Reversed phase |
| Chromatography ID: | CH003029 |
| Instrument Name: | Thermo Vanquish |
| Column Name: | Phenomenex Kinetex PFP (100 x 2.1mm,2.6um) |
| Column Temperature: | 40C |
| Flow Gradient: | 0 min 7% (B), 0–4.5 min to 7%-20% (B), 4.5–7 min to 20%-100% (B), 7–8 min to 100%-7% (B), 8–10 min 7% (B) |
| Flow Rate: | 0.4mL/min |
| Solvent A: | 100% water; 0.1% formic Acid |
| Solvent B: | 100% acetonitrile; 0.1% formic Acid |
| Chromatography Type: | Normal phase |
