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.

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Study IDST002492
Study TitleComposition of raw plant-based food items
Study TypeComposition of food
Study SummaryThe 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
DepartmentDepartment of Physics
LaboratoryBarabasiLab
Last NameBarabasi
First NameAlbert-Laszlo
Address177 Huntington Ave, 11th Floor, Boston, MA, 02115, USA
Emailccnrad@gmail.com
Phone6173734071
Submit Date2023-02-21
Analysis Type DetailLC-MS
Release Date2023-02-27
Release Version1
Albert-Laszlo Barabasi Albert-Laszlo Barabasi
https://dx.doi.org/10.21228/M8QH77
ftp://www.metabolomicsworkbench.org/Studies/ application/zip

Select appropriate tab below to view additional metadata details:

Project:

Project ID:PR001609
Project DOI:doi: 10.21228/M8QH77
Project Title:Periodic Table of Plants
Project Type:MS Untargeted Metabolomics
Project 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.
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
Email:ccnrad@gmail.com
Phone:6173734071
Funding Source:Rockefeller Foundation

Subject:

Subject ID:SU002586
Subject Type:Plant
Subject Species:Malus domestica/Musa acuminata/Solanum lycopersicum/Lactuca sativa/Fragaria x ananassa/Daucus carota/Prunus persica/Allium cepa/Spinacia oleracea/Capsicum annuum/Zea mays/Allium sativum/Ocimum basilicum/Solanum tuberosum/Glycine max/Phaseolus vulgaris/Olea europaea/Cicer arietinum/Beta vulgaris/Pyrus communis

Factors:

Subject type: Plant; Subject species: Malus domestica/Musa acuminata/Solanum lycopersicum/Lactuca sativa/Fragaria x ananassa/Daucus carota/Prunus persica/Allium cepa/Spinacia oleracea/Capsicum annuum/Zea mays/Allium sativum/Ocimum basilicum/Solanum tuberosum/Glycine max/Phaseolus vulgaris/Olea europaea/Cicer arietinum/Beta vulgaris/Pyrus communis (Factor headings shown in green)

mb_sample_id local_sample_id Species Variety
SA249078FB06135220Apple Gala
SA249079FB06135232Apple Gala
SA249080FB06135221Apple Gala
SA249081FB06135214Banana Cavendish
SA249082FB06135217Banana Cavendish
SA249083FB06135223Banana Cavendish
SA249084FB06135280Basil Sweet
SA249085FB06135287Basil Sweet
SA249086FB06135279Basil Sweet
SA249087FB06135266Black bean Black Turtle
SA249088FB06135225Black bean Black Turtle
SA249089FB06135258Black bean Black Turtle
SA249090FB06135227Carrot Imperator
SA249091FB06135238Carrot Imperator
SA249092FB06135255Carrot Imperator
SA249093FB06135254Chickpeas Kabuli
SA249094FB06135294Chickpeas Kabuli
SA249095FB06135249Chickpeas Kabuli
SA249096FB06135236Corn Dent bicolor
SA249097FB06135283Corn Dent bicolor
SA249098FB06135242Corn Dent bicolor
SA249099FB06135276Garlic Softneck
SA249100FB06135277Garlic Softneck
SA249101FB06135228Garlic Softneck
SA249102FB06135235Lettuce Iceberg
SA249103FB06135253Lettuce Iceberg
SA249104FB06135237Lettuce Iceberg
SA249105FB06135302Olives Manzanillo
SA249106FB06135303Olives Manzanillo
SA249107FB06135282Olives Manzanillo
SA249108FB06135262Onion Yellow
SA249109FB06135259Onion Yellow
SA249110FB06135260Onion Yellow
SA249111FB06135250Peach Yellow
SA249112FB06135229Peach Yellow
SA249113FB06135263Peach Yellow
SA249114FB06135274Pear Green Anjou
SA249115FB06135299Pear Green Anjou
SA249116FB06135244Pear Green Anjou
SA249117FB06135271Pepper Bell
SA249118FB06135272Pepper Bell
SA249119FB06135264Pepper Bell
SA249120FB06135285Potato Russet
SA249121FB06135286Potato Russet
SA249122FB06135231Potato Russet
SA249123FB06135288Soybean Yellow
SA249124FB06135243Soybean Yellow
SA249125FB06135234Soybean Yellow
SA249126FB06135270Spinach Bloomsdale
SA249127FB06135269Spinach Bloomsdale
SA249128FB06135241Spinach Bloomsdale
SA249129FB06135230Strawberry Honeoye
SA249130FB06135219Strawberry Honeoye
SA249131FB06135251Strawberry Honeoye
SA249132FB06135261Sugarbeet Detroit Red
SA249133FB06135301Sugarbeet Detroit Red
SA249134FB06135300Sugarbeet Detroit Red
SA249135FB06135215Tomato Globe Type
SA249136FB06135224Tomato Globe Type
SA249137FB06135256Tomato Globe Type
Showing results 1 to 60 of 60

Collection:

Collection ID:CO002579
Collection Summary:Metabolomics experiments were performed on 20 food items collected from two local grocery stores (Whole Foods Market and Stop & Shop) depending on availability, freshness, and level of processing. Six food items of each food: apple, banana, basil, black bean, carrot, chickpeas, corn, garlic, lettuce, olives, onion, peach, pear, pepper, potato, spinach, soybean, strawberry, sugarbeet, and tomato, were bought for analysis.
Sample Type:Plant

Treatment:

Treatment ID:TR002598
Treatment Summary:Since we bought the plant-based food items from local grocery stores, the only treatment prior to metabolomics analysis would be those performed by the distribution pipeline to get the items to the grocery stores. We did not perform any treatments of our own prior to metabolomics analysis.

Sample Preparation:

Sampleprep ID:SP002592
Sampleprep Summary:After purchase the items are directly taken into a humidity-controlled room and exposure to light was minimized. The foods are prepared following how they are commonly eaten; for example, apples cores are removed, and bananas are peeled. Food items are rinsed with water if the consumed part is exposed; for example, apples are washed while bananas are not. The edible parts are sliced and chopped into small 1 cm^3 pieces with a knife on a glass cutting board. This process is repeated for all six items. About 120 g of each item are frozen at -80C for 16 hrs and after transferred into a freeze dryer (Catalog No. 10-269-56B from LabConco/Fisher) and a dark room for 24 hrs. Afterwards the pieces are put into a coffee grinder (Kitchen Aid, 170W, Model No. BCG111OBO) and pulverized to yield a fine powder. The powder is stored at -80C and 200 mg is shipped in argon filled vials under dry ice to the metabolomics center for analysis. Three vials, technical replicates, for each food item were sent.

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

MS:

MS ID:MS003828
Analysis ID:AN004081
Instrument Name:Thermo Q Exactive Focus
Instrument Type:Orbitrap
MS Type:ESI
MS Comments:This is for RP in positive ion mode optimized for hydrophilic compounds. Different from (2) because it uses different mobile phases.
Ion Mode:POSITIVE
  
MS ID:MS003829
Analysis ID:AN004082
Instrument Name:Thermo Q Exactive Focus
Instrument Type:Orbitrap
MS Type:ESI
MS Comments:This is for RP in positive ion mode optimized for hydrophobic compounds by changing the mobile phases from (1).
Ion Mode:POSITIVE
  
MS ID:MS003830
Analysis ID:AN004083
Instrument Name:Thermo Q Exactive Focus
Instrument Type:Orbitrap
MS Type:ESI
MS Comments:This is for RP in Negative ion mode optimized for hydrophilic compounds.
Ion Mode:NEGATIVE
  
MS ID:MS003831
Analysis ID:AN004084
Instrument Name:Thermo Q Exactive Focus
Instrument Type:Orbitrap
MS Type:ESI
MS Comments:This is for HILIC in Negative ion mode optimized for hydrophilic compounds.
Ion Mode:NEGATIVE
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