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 |
| 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 |
Select appropriate tab below to view additional metadata details:
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 |
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. |
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). |
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 |
