Summary of Study ST004227

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 PR002667. The data can be accessed directly via it's Project DOI: 10.21228/M8X54H This work is supported by NIH grant, U2C- DK119886.

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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 IDST004227
Study TitleComparative untargeted metabolomics analysis the wheat grains in cultivars zhengmai 7698 and zhoumai 22
Study SummaryWheat is one of the four primary staple crops globally, its production impacts both food security and social stability. Wheat breeding not only requires high yield but also imposes higher requirements for quality. In our previous studies, two high-quality wheat varieties, Zhengmai 7698 and Zhoumai 22, had significant differences in processing quality. In order to realize the molecular mechanisms of quality differences between ZM7698 and ZM22, this study employed untargeted liquid chromatography-mass spectrometry (LC-MS) to analyze metabolites in the grains of above wheat varieties. The results showed that Botcineric acid and 2-aminohexadecanoic acid positively regulate wheat processing quality, while the wheat processing quality was negatively regulated by 9(S)-HPODE, fatty acid 18:2+1O, (±)12(13)-EpOME, and 9,12,13-TriHOME. Meanwhile, we found that the content of flavonoids in ZM7698 was lower than that in ZM22. Further, we also found the metabolic pathways of arginine and proline, cyanoamino acids, and tryptophan were significant differences in different wheat varieties. It indicated that the differences of whrat nutritional quality between the two varieties are not only due to variations in flavonoids but also influenced by amino acid metabolism pathways. This research not only reveals the primary reasons for the differences of wheat quality between two high-quality wheat varieties but also provides a scientific foundation for functional wheat breeding and developing the nutritious-rich wheat products.
Institute
Henan Academy of Agricultural Sciences
Last NameGong
First NameChen
AddressNo. 116 Huayuan Road, Zhengzhou, Henan, 450002, China
Emailgongchen_edu@163.com
Phone+8615343714520
Submit Date2025-09-22
Raw Data AvailableYes
Raw Data File Type(s)mzXML
Analysis Type DetailLC-MS
Release Date2025-10-01
Release Version1
Chen Gong Chen Gong
https://dx.doi.org/10.21228/M8X54H
ftp://www.metabolomicsworkbench.org/Studies/ application/zip

Select appropriate tab below to view additional metadata details:

Project:

Project ID:PR002667
Project DOI:doi: 10.21228/M8X54H
Project Title:untargeted metabolomics analysis in the wheat grains
Project Type:research
Project Summary:In order to realize the molecular mechanisms of quality differences between ZM7698 and ZM22, this study employed untargeted liquid chromatography-mass spectrometry (LC-MS) to analyze metabolites in the grains of above wheat varieties. The results showed that Botcineric acid and 2-aminohexadecanoic acid positively regulate wheat processing quality, while the wheat processing quality was negatively regulated by 9(S)-HPODE, fatty acid 18:2+1O, (±)12(13)-EpOME, and 9,12,13-TriHOME. Meanwhile, we found that the content of flavonoids in ZM7698 was lower than that in ZM22. Further, we also found the metabolic pathways of arginine and proline, cyanoamino acids, and tryptophan were significant differences in different wheat varieties. It indicated that the differences of whrat nutritional quality between the two varieties are not only due to variations in flavonoids but also influenced by amino acid metabolism pathways. This research not only reveals the primary reasons for the differences of wheat quality between two high-quality wheat varieties but also provides a scientific foundation for functional wheat breeding and developing the nutritious-rich wheat products.
Institute:Henan Academy of Agricultural Sciences
Last Name:Gong
First Name:Chen
Address:No. 116 Huayuan Road, Zhengzhou, Henan, 450002, China
Email:gongchen_edu@163.com
Phone:+8615343714520

Subject:

Subject ID:SU004379
Subject Type:Plant
Subject Species:Triticum aestivum
Taxonomy ID:4565

Factors:

Subject type: Plant; Subject species: Triticum aestivum (Factor headings shown in green)

mb_sample_id local_sample_id Sample source Cultivar
SA486062pos_ZM22_2wheat grains ZM22
SA486063neg_ZM22_6wheat grains ZM22
SA486064neg_ZM22_5wheat grains ZM22
SA486065neg_ZM22_4wheat grains ZM22
SA486066neg_ZM22_3wheat grains ZM22
SA486067neg_ZM22_2wheat grains ZM22
SA486068pos_ZM22_1wheat grains ZM22
SA486069neg_ZM22_1wheat grains ZM22
SA486070pos_ZM22_6wheat grains ZM22
SA486071pos_ZM22_3wheat grains ZM22
SA486072pos_ZM22_5wheat grains ZM22
SA486073pos_ZM22_4wheat grains ZM22
SA486074pos_ZM7698_1wheat grains ZM7698
SA486075pos_ZM7698_2wheat grains ZM7698
SA486076pos_ZM7698_6wheat grains ZM7698
SA486077pos_ZM7698_4wheat grains ZM7698
SA486078pos_ZM7698_5wheat grains ZM7698
SA486079neg_ZM7698_1wheat grains ZM7698
SA486080neg_ZM7698_2wheat grains ZM7698
SA486081neg_ZM7698_3wheat grains ZM7698
SA486082neg_ZM7698_4wheat grains ZM7698
SA486083neg_ZM7698_5wheat grains ZM7698
SA486084neg_ZM7698_6wheat grains ZM7698
SA486085pos_ZM7698_3wheat grains ZM7698
Showing results 1 to 24 of 24

Collection:

Collection ID:CO004372
Collection Summary:We use conventional management methods to grow Zhengmai 7698 and Zhoumai 22 in 2024. Seeds are harvested during the ripening period.
Sample Type:Plant

Treatment:

Treatment ID:TR004388
Treatment Summary:We seclected the ZM22 as the ck and the ZM7698 as the treatment.

Sample Preparation:

Sampleprep ID:SP004385
Sampleprep Summary:Wheat grains (100 mg) were individually grounded with liquid nitrogen and the homogenate was resuspended with prechilled 80% methanol by well vortex. The samples were incubated on ice for 5 min and then were centrifuged at 15,000 g, 4°C for 20 min. Some of supernatant was diluted to final concentration containing 53% methanol by LC-MS grade water.The samples were subsequently transferred to a fresh Eppendorf tube and thenwere centrifuged at 15000 g, 4°C for 20 min. Finally, the supernatant was injected into the LC-MS/MS system analysis

Chromatography:

Chromatography ID:CH005342
Chromatography Summary:Samples were injected onto a Hypersil Gold C18 (100×2.1 mm, 1.9μm) using a 12-min linear gradient at a flow rate of 0.2 mL/min.
Methods Filename:Methods.txt
Instrument Name:Thermo Vanquish
Column Name:Thermo Hypersil GOLD C18 (100 x 2.1mm, 1.9um)
Column Temperature:350
Flow Gradient:2% B, 1.5 min; 2-85% B, 1.5min - 3 min; 85-100% B, 3min - 10min；100-2% B, 10min - 10.1min； 2% B, 10.1min - 12 min.
Flow Rate:0.2 mL/min
Solvent A:100% water; 0.1% formic acid
Solvent B:100% Methanol
Chromatography Type:Reversed phase

Analysis:

Analysis ID:AN007035
Analysis Type:MS
Analysis Protocol File:Methods.txt
Chromatography ID:CH005342
Num Factors:2
Num Metabolites:1883
Units:Peak intensity
  
Analysis ID:AN007036
Analysis Type:MS
Analysis Protocol File:Methods.txt
Chromatography ID:CH005342
Num Factors:2
Num Metabolites:1265
Units:peak intensity
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