Summary of Study ST003292

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 PR002044. The data can be accessed directly via it's Project DOI: 10.21228/M8DC1S 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	ST003292
Study Title	Season-dependent variation in the contents of glucosinolates and S-methyl-L-cysteine sulfoxide and their hydrolysis in Brassica oleracea
Study Summary	Brassica vegetables are rich in phytochemicals, such as glucosinolates and S methyl L cysteine sulfoxide, which are sulfur-containing secondary metabolites. Upon cell damage, glucosinolates and S methyl L cysteine sulfoxide are hydrolyzed by endogenous enzymes to form bioactive breakdown products. Glucosinolate hydrolysis can result in the formation of isothiocyanates, or in presence of specifier proteins, nitriles, or epithionitriles can be formed. Isothiocyanates as well as some S methyl L cysteine sulfoxide derived volatile organosulfur compounds, such as S methyl methanethiosulfinate, show beneficial effects on human health. To optimize the quality of B. oleracea vegetables towards increased potential to release isothiocyanates from glucosinolates as well as S methyl L cysteine sulfoxide levels and hydrolysis, these compounds were monitored over the harvest seasons of different B. oleracea cultivars in three consecutive years. Strong seasonal shifts in glucosinolate hydrolysis outcome were observed in red cabbages. Summer red cabbage formed up to 40-fold more health-promoting isothiocyanates compared to red cabbage harvested in autumn. Decreasing temperatures and shorter days with lower light intensities in autumn enhanced nitrile and epithionitrile formation.This correlated with an increased abundance of epithiospecifier proteins in autumn red cabbage. On the opposite, higher volatile organosulfur compound levels were found in autumn red cabbage. The demonstrated seasonal shifts in glucosinolate hydrolysis behavior seem to be cultivar-specific since only little, or no change in isothiocyanate formation was observed in white cabbage and broccoli. By elucidating of the impact of abiotic growth factors on the regulatory mechanisms of glucosinolate degradation, cultivation conditions of B. oleracea vegetables can be optimised, and thus, their health value can be improved.
Institute	Leibniz Institute of Vegetable and Ornamental Crops (IGZ) e.V.
Last Name	Hanschen
First Name	Franziska
Address	Theodor-Echtermeyer-Weg 1
Email	hanschen@igzev.de
Phone	+493370178250
Submit Date	2024-06-27
Raw Data Available	Yes
Raw Data File Type(s)	mzML
Analysis Type Detail	GC-MS
Release Date	2024-12-06
Release Version	1

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Project:

Project ID:	PR002044
Project DOI:	doi: 10.21228/M8DC1S
Project Title:	Optimization of Glucosinolate Degradation Pathways for Increased Quality and Health Benefit of Brassica Products – OPTIGLUP
Project Summary:	The project investigates how the enzymatic hydrolysis of glucosinolates to cancer-preventive isothiocyanates can be improved in Brassica vegetables. Further, the effect of plant constituents on thermally induced degradation reactions and the formation of follow-up products is being investigated.
Institute:	Leibniz Institute of Vegetable and Ornamental Crops (IGZ) e.V.
Department:	Plant Quality and Food Security
Last Name:	Hanschen
First Name:	Franziska
Address:	Theodor-Echtermeyer-Weg 1
Email:	hanschen@igzev.de
Phone:	+493370178250
Funding Source:	Leibniz Association

Subject:

Subject ID:	SU003412
Subject Type:	Plant
Subject Species:	Brassica oleracea
Age Or Age Range:	adult
Species Group:	Plants

Factors:

Subject type: Plant; Subject species: Brassica oleracea (Factor headings shown in green)

mb_sample_id	local_sample_id	Sample source	Date of harvest
SA356636	20211103_V2107	Brassica oleracea L. var. capitata f. capitata cv. "Dottenfelder Dauer"	02.11.2021
SA356637	20211103_V2109	Brassica oleracea L. var. capitata f. capitata cv. "Dottenfelder Dauer"	02.11.2021
SA356638	20211103_V2108	Brassica oleracea L. var. capitata f. capitata cv. "Dottenfelder Dauer"	02.11.2021
SA356639	20211103_V2110	Brassica oleracea L. var. capitata f. capitata cv. "Dottenfelder Dauer"	02.11.2021
SA356640	20211004_V2064	Brassica oleracea L. var. capitata f. capitata cv. "Dottenfelder Dauer"	04.10.2021
SA356641	20211004_V2065	Brassica oleracea L. var. capitata f. capitata cv. "Dottenfelder Dauer"	04.10.2021
SA356642	20211004_V2062	Brassica oleracea L. var. capitata f. capitata cv. "Dottenfelder Dauer"	04.10.2021
SA356643	20211209_V2387	Brassica oleracea L. var. capitata f. capitata cv. "Dottenfelder Dauer"	07.12.2021
SA356644	20211209_V2388	Brassica oleracea L. var. capitata f. capitata cv. "Dottenfelder Dauer"	07.12.2021
SA356645	20211209_V2389	Brassica oleracea L. var. capitata f. capitata cv. "Dottenfelder Dauer"	07.12.2021
SA356646	20211209_V2390	Brassica oleracea L. var. capitata f. capitata cv. "Dottenfelder Dauer"	07.12.2021
SA356647	20210812_V2004	Brassica oleracea L. var. capitata f. capitata cv. "Dottenfelder Dauer"	10.08.2021
SA356648	20210812_V2006	Brassica oleracea L. var. capitata f. capitata cv. "Dottenfelder Dauer"	10.08.2021
SA356649	20210812_V2005	Brassica oleracea L. var. capitata f. capitata cv. "Dottenfelder Dauer"	10.08.2021
SA356650	20210914_V2049	Brassica oleracea L. var. capitata f. capitata cv. "Dottenfelder Dauer"	14.09.2021
SA356651	20210914_V2048	Brassica oleracea L. var. capitata f. capitata cv. "Dottenfelder Dauer"	14.09.2021
SA356652	20210914_V2047	Brassica oleracea L. var. capitata f. capitata cv. "Dottenfelder Dauer"	14.09.2021
SA356653	20210914_V2046	Brassica oleracea L. var. capitata f. capitata cv. "Dottenfelder Dauer"	14.09.2021
SA356654	20211209_V2377	Brassica oleracea L. var. capitata f. capitata cv. "Dottenfelder Dauer"	16.11.2021
SA356655	20211209_V2375	Brassica oleracea L. var. capitata f. capitata cv. "Dottenfelder Dauer"	16.11.2021
SA356656	20211209_V2376	Brassica oleracea L. var. capitata f. capitata cv. "Dottenfelder Dauer"	16.11.2021
SA356657	20211209_V2378	Brassica oleracea L. var. capitata f. capitata cv. "Dottenfelder Dauer"	16.11.2021
SA356658	20211209_V2379	Brassica oleracea L. var. capitata f. capitata cv. "Dottenfelder Dauer"	22.11.2021
SA356659	20211209_V2382	Brassica oleracea L. var. capitata f. capitata cv. "Dottenfelder Dauer"	22.11.2021
SA356660	20211209_V2381	Brassica oleracea L. var. capitata f. capitata cv. "Dottenfelder Dauer"	22.11.2021
SA356661	20211209_V2380	Brassica oleracea L. var. capitata f. capitata cv. "Dottenfelder Dauer"	22.11.2021
SA356662	20210906_V2017	Brassica oleracea L. var. capitata f. capitata cv. "Dottenfelder Dauer"	25.08.2021
SA356663	20210906_V2016	Brassica oleracea L. var. capitata f. capitata cv. "Dottenfelder Dauer"	25.08.2021
SA356664	20210906_V2015	Brassica oleracea L. var. capitata f. capitata cv. "Dottenfelder Dauer"	25.08.2021
SA356757	20221106_V2865	Brassica oleracea L. var. capitata f. rubra cv. "Davaro"	03.11.2022
SA356758	20221106_V2866	Brassica oleracea L. var. capitata f. rubra cv. "Davaro"	03.11.2022
SA356759	20221106_V2867	Brassica oleracea L. var. capitata f. rubra cv. "Davaro"	03.11.2022
SA356760	20221118_V2868	Brassica oleracea L. var. capitata f. rubra cv. "Davaro"	03.11.2022
SA356761	20221010_V2849	Brassica oleracea L. var. capitata f. rubra cv. "Davaro"	05.10.2022
SA356762	20221010_V2851	Brassica oleracea L. var. capitata f. rubra cv. "Davaro"	05.10.2022
SA356763	20221010_V2850	Brassica oleracea L. var. capitata f. rubra cv. "Davaro"	05.10.2022
SA356764	20221010_V2848	Brassica oleracea L. var. capitata f. rubra cv. "Davaro"	05.10.2022
SA356765	20220907_V2835	Brassica oleracea L. var. capitata f. rubra cv. "Davaro"	06.09.2022
SA356766	20220907_V2834	Brassica oleracea L. var. capitata f. rubra cv. "Davaro"	06.09.2022
SA356767	20220907_V2833	Brassica oleracea L. var. capitata f. rubra cv. "Davaro"	06.09.2022
SA356768	20220907_V2832	Brassica oleracea L. var. capitata f. rubra cv. "Davaro"	06.09.2022
SA356769	20220902_V2763	Brassica oleracea L. var. capitata f. rubra cv. "Davaro"	10.08.2022
SA356770	20220902_V2764	Brassica oleracea L. var. capitata f. rubra cv. "Davaro"	10.08.2022
SA356771	20220902_V2765	Brassica oleracea L. var. capitata f. rubra cv. "Davaro"	10.08.2022
SA356772	20220902_V2762	Brassica oleracea L. var. capitata f. rubra cv. "Davaro"	10.08.2022
SA356773	20221020_V2857	Brassica oleracea L. var. capitata f. rubra cv. "Davaro"	19.10.2022
SA356774	20221020_V2856	Brassica oleracea L. var. capitata f. rubra cv. "Davaro"	19.10.2022
SA356775	20221020_V2859	Brassica oleracea L. var. capitata f. rubra cv. "Davaro"	19.10.2022
SA356776	20221020_V2858	Brassica oleracea L. var. capitata f. rubra cv. "Davaro"	19.10.2022
SA356777	20220922_V2843	Brassica oleracea L. var. capitata f. rubra cv. "Davaro"	21.09.2022
SA356778	20220922_V2842	Brassica oleracea L. var. capitata f. rubra cv. "Davaro"	21.09.2022
SA356779	20220922_V2841	Brassica oleracea L. var. capitata f. rubra cv. "Davaro"	21.09.2022
SA356780	20220922_V2840	Brassica oleracea L. var. capitata f. rubra cv. "Davaro"	21.09.2022
SA356781	20220902_V2824	Brassica oleracea L. var. capitata f. rubra cv. "Davaro"	23.08.2022
SA356782	20220902_V2827	Brassica oleracea L. var. capitata f. rubra cv. "Davaro"	23.08.2022
SA356783	20220902_V2825	Brassica oleracea L. var. capitata f. rubra cv. "Davaro"	23.08.2022
SA356784	20220902_V2826	Brassica oleracea L. var. capitata f. rubra cv. "Davaro"	23.08.2022
SA356665	20200901_8010	Brassica oleracea L. var. capitata f. rubra "Integro"	01.09.2020
SA356666	20200901_8012	Brassica oleracea L. var. capitata f. rubra "Integro"	01.09.2020
SA356667	20200901_8014	Brassica oleracea L. var. capitata f. rubra "Integro"	01.09.2020
SA356668	20200901_8016	Brassica oleracea L. var. capitata f. rubra "Integro"	01.09.2020
SA356669	20211103_V2114	Brassica oleracea L. var. capitata f. rubra "Integro"	02.11.2021
SA356670	20211103_V2113	Brassica oleracea L. var. capitata f. rubra "Integro"	02.11.2021
SA356671	20211103_V2111	Brassica oleracea L. var. capitata f. rubra "Integro"	02.11.2021
SA356672	20211103_V2112	Brassica oleracea L. var. capitata f. rubra "Integro"	02.11.2021
SA356673	20210906_V2038	Brassica oleracea L. var. capitata f. rubra "Integro"	03.09.2021
SA356674	20210906_V2041	Brassica oleracea L. var. capitata f. rubra "Integro"	03.09.2021
SA356675	20210906_V2040	Brassica oleracea L. var. capitata f. rubra "Integro"	03.09.2021
SA356676	20210906_V2039	Brassica oleracea L. var. capitata f. rubra "Integro"	03.09.2021
SA356677	20221106_V2861	Brassica oleracea L. var. capitata f. rubra "Integro"	03.11.2022
SA356678	20221106_V2863	Brassica oleracea L. var. capitata f. rubra "Integro"	03.11.2022
SA356679	20221106_V2864	Brassica oleracea L. var. capitata f. rubra "Integro"	03.11.2022
SA356680	20221106_V2860	Brassica oleracea L. var. capitata f. rubra "Integro"	03.11.2022
SA356681	20211004_V2069	Brassica oleracea L. var. capitata f. rubra "Integro"	04.10.2021
SA356682	20211004_V2066	Brassica oleracea L. var. capitata f. rubra "Integro"	04.10.2021
SA356683	20211004_V2067	Brassica oleracea L. var. capitata f. rubra "Integro"	04.10.2021
SA356684	20211004_V2068	Brassica oleracea L. var. capitata f. rubra "Integro"	04.10.2021
SA356685	20221010_V2845	Brassica oleracea L. var. capitata f. rubra "Integro"	05.10.2022
SA356686	20221010_V2847	Brassica oleracea L. var. capitata f. rubra "Integro"	05.10.2022
SA356687	20221010_V2844	Brassica oleracea L. var. capitata f. rubra "Integro"	05.10.2022
SA356688	20221010_V2846	Brassica oleracea L. var. capitata f. rubra "Integro"	05.10.2022
SA356689	20220907_V2828	Brassica oleracea L. var. capitata f. rubra "Integro"	06.09.2022
SA356690	20220907_V2829	Brassica oleracea L. var. capitata f. rubra "Integro"	06.09.2022
SA356691	20220907_V2830	Brassica oleracea L. var. capitata f. rubra "Integro"	06.09.2022
SA356692	20220907_V2831	Brassica oleracea L. var. capitata f. rubra "Integro"	06.09.2022
SA356693	20201112_8040	Brassica oleracea L. var. capitata f. rubra "Integro"	06.11.2020
SA356694	20201112_8038	Brassica oleracea L. var. capitata f. rubra "Integro"	06.11.2020
SA356695	20201112_8036	Brassica oleracea L. var. capitata f. rubra "Integro"	06.11.2020
SA356696	20201112_8034	Brassica oleracea L. var. capitata f. rubra "Integro"	06.11.2020
SA356697	20211209_V2394	Brassica oleracea L. var. capitata f. rubra "Integro"	07.12.2021
SA356698	20211209_V2393	Brassica oleracea L. var. capitata f. rubra "Integro"	07.12.2021
SA356699	20211209_V2392	Brassica oleracea L. var. capitata f. rubra "Integro"	07.12.2021
SA356700	20211209_V2391	Brassica oleracea L. var. capitata f. rubra "Integro"	07.12.2021
SA356701	20210812_V2003	Brassica oleracea L. var. capitata f. rubra "Integro"	10.08.2021
SA356702	20210812_V2001	Brassica oleracea L. var. capitata f. rubra "Integro"	10.08.2021
SA356703	20210812_V2000	Brassica oleracea L. var. capitata f. rubra "Integro"	10.08.2021
SA356704	20210812_V2002	Brassica oleracea L. var. capitata f. rubra "Integro"	10.08.2021
SA356705	20220902_V2760	Brassica oleracea L. var. capitata f. rubra "Integro"	10.08.2022
SA356706	20220902_V2759	Brassica oleracea L. var. capitata f. rubra "Integro"	10.08.2022
SA356707	20220902_V2758	Brassica oleracea L. var. capitata f. rubra "Integro"	10.08.2022

Showing page 1 of 2 Results: 1 2 Next Showing results 1 to 100 of 179

Collection:

Collection ID:	CO003405
Collection Summary:	At each harvest, one plant from the middle of the plot was harvested to avoid the edge effects. Four plants from four different plots were sampled in total and subsequently analyzed per harvest. Cabbage heads and broccoli florets were cut into quarters. One quarter was used for the sampling. One slice of the quarter was immediately shock-frozen in liquid nitrogen and stored at -20°C until subsequent freeze drying. The rest of the quarter was chopped into small pieces of approx. 1 cm length and mixed well. Then, 17 g of the chopped fresh plant material was filled into glas vials for homogenization and water was added (1:1, plant material : water). Samples were homogenized using a homogenizator (HO 4, Edmund Bühler GmbH, Bodelhausen, Germany) at 35,000 rpm for 1.5 min.and incubated at room temperature for 30 min to achieve enzymatic glucosinolate hydrolysis.
Sample Type:	Plant

Treatment:

Treatment ID:	TR003421
Treatment Summary:	Field experiments were conducted at the Leibniz Institute of Vegetable and Ornamental Crops (IGZ) (52◦20′58.4′′N 13◦18′52.9′′E) in three consecutive years (2020, 2021, and 2022). Seeds of red cabbage (Brassica oleracea L. var. capitata f. rubra cv.”‘Integro’” and “‘Davaro’”), white cabbage (Brassica oleracea L. var. capitata f. capitata cv. “‘Dottenfelder Dauer’”) and broccoli (Brassica oleracea L. var. italica cv. “‘Calinaro’”) were provided by Bejo Samen GmbH (Sonsbeck, Germany). They were sown regularly at four-week intervals to enable regular harvesting throughout the cabbage harvest season from summer to the end of autumn. Each sowing was harvested two times at an interval of two weeks. First, seeds were sown in soil (Pikiererde, Einheitserde Werkverband e.V., Sinntal-Altengronau, Germany) and, after 12 days, sprouts were transplanted into plant cultivation trays filled with soil (Topferde, Einheitserde Werkverband e.V., Sinntal-Altengronau, Germany) and grown in an open-sided greenhouse. After five weeks, plants were transplanted into the field of the IGZ containing concrete plots of 2 x 2 m filled with loess soil. Four plots consisting of 16 plants with equal spacing were set up for each sowing. Plants were watered and fertilized as required according to the common cultivation practice. Climatic conditions in the field were continuously monitored throughout the field experiments. PAR was assessed by a quantum sensor (LI 190R, LI COR Environmental GmbH, Bad Homburg, Germany) and air temperaure was measured by an aspiration psychrometer (Rotronic Messgeräte GmbH, Ettlingen, Germany) minimizing radiative heating. Cabbages and broccolis were harvested by cutting off the heads or florets.

Treatment ID:

TR003421

Treatment Summary:

Field experiments were conducted at the Leibniz Institute of Vegetable and Ornamental Crops (IGZ) (52◦20′58.4′′N 13◦18′52.9′′E) in three consecutive years (2020, 2021, and 2022). Seeds of red cabbage (Brassica oleracea L. var. capitata f. rubra cv.”‘Integro’” and “‘Davaro’”), white cabbage (Brassica oleracea L. var. capitata f. capitata cv. “‘Dottenfelder Dauer’”) and broccoli (Brassica oleracea L. var. italica cv. “‘Calinaro’”) were provided by Bejo Samen GmbH (Sonsbeck, Germany). They were sown regularly at four-week intervals to enable regular harvesting throughout the cabbage harvest season from summer to the end of autumn. Each sowing was harvested two times at an interval of two weeks. First, seeds were sown in soil (Pikiererde, Einheitserde Werkverband e.V., Sinntal-Altengronau, Germany) and, after 12 days, sprouts were transplanted into plant cultivation trays filled with soil (Topferde, Einheitserde Werkverband e.V., Sinntal-Altengronau, Germany) and grown in an open-sided greenhouse. After five weeks, plants were transplanted into the field of the IGZ containing concrete plots of 2 x 2 m filled with loess soil. Four plots consisting of 16 plants with equal spacing were set up for each sowing. Plants were watered and fertilized as required according to the common cultivation practice. Climatic conditions in the field were continuously monitored throughout the field experiments. PAR was assessed by a quantum sensor (LI 190R, LI COR Environmental GmbH, Bad Homburg, Germany) and air temperaure was measured by an aspiration psychrometer (Rotronic Messgeräte GmbH, Ettlingen, Germany) minimizing radiative heating. Cabbages and broccolis were harvested by cutting off the heads or florets.

Sample Preparation:

Sampleprep ID:	SP003419
Sampleprep Summary:	Extraction of glucosinolate hydrolysis products and volatile organosulfur compounds (VOSC) were carried out from fresh plant material according to Wermter et al. (2020). Briefly, 500 mg of the homogenized fresh samples (containing 50% of water) were weighed into solvent resistant centrifuge tubes. Then, the internal standard benzonitrile (0.2 µmol) was added and glucosinolate hydrolysis products were extracted 3 times using methylene chloride: 2 mL during the first extraction and 1.5 mL of methylene chloride in the second and third extraction. Combined extracts were filtered over Na2SO4, dried under nitrogen stream to 300 µL and transferred to a GC vial. Reference: Wermter, N. S., Rohn, S., & Hanschen, F. S. (2020). Seasonal variation of glucosinolate hydrolysis products in commercial white and red cabbages (Brassica oleracea var. capitata). Foods, 9(11).

Sampleprep ID:

SP003419

Sampleprep Summary:

Extraction of glucosinolate hydrolysis products and volatile organosulfur compounds (VOSC) were carried out from fresh plant material according to Wermter et al. (2020). Briefly, 500 mg of the homogenized fresh samples (containing 50% of water) were weighed into solvent resistant centrifuge tubes. Then, the internal standard benzonitrile (0.2 µmol) was added and glucosinolate hydrolysis products were extracted 3 times using methylene chloride: 2 mL during the first extraction and 1.5 mL of methylene chloride in the second and third extraction. Combined extracts were filtered over Na2SO4, dried under nitrogen stream to 300 µL and transferred to a GC vial. Reference: Wermter, N. S., Rohn, S., & Hanschen, F. S. (2020). Seasonal variation of glucosinolate hydrolysis products in commercial white and red cabbages (Brassica oleracea var. capitata). Foods, 9(11).

Chromatography:

Chromatography ID:	CH004087
Chromatography Summary:	Plant extracts were analyzed by GC-MS (7890 A GC with 5975C Inert XL MSD, Agilent Technologies Deutschland GmbH, Waldbronn, Germany) using a SGE BPX5 column (30 m × 0.25 mm × 0.25 μm) (Trajan Scientific Europe Ltd, Victoria, Australia). After splitless injection of 1 µL of sample solution at 190°C, analytes were separated with He as carrier gas (1.8 mL/min) and a temperature gradient starting at 37°C (for 3 min) rising with 9°C/min to 90°C (2 min hold) then to110°C with 3°C/min, further increased to 210°C with 9°C/min, then to 223°C with 3°C/min, then to 230°C with 9°C/min and finally the GC was heated to 310°C with 35°C/min (6 min hold).
Instrument Name:	Agilent 7890A
Column Name:	SGE BPX5 (30m × 0.25mm × 0.25um)
Column Temperature:	37 - 310
Flow Gradient:	-
Flow Rate:	1.8 mL/min (He)
Solvent A:	-
Solvent B:	-
Chromatography Type:	GC

Analysis:

Analysis ID:	AN005391
Analysis Type:	MS
Chromatography ID:	CH004087
Num Factors:	45
Num Metabolites:	19
Units:	µmol/g fresh weight