taxonID	type	format	identifier	references	title	description	created	creator	contributor	publisher	audience	source	license	rightsHolder	datasetID
66798798FFACFFF1634CFB73FF4AFCB8.taxon	http://purl.org/dc/dcmitype/StillImage	image/png	https://zenodo.org/record/8259678/files/figure.png	https://doi.org/10.5281/zenodo.8259678	Fig. 1. MS2 spectra of pairs of desulfoglucosinolates with and without a side chain double bond. Four short chain desulfoglucosinolates were investigated, including Na+ adducts of all (A–D) and in addition H+ adducts of the methylthio substituted (E–F), as indicated in each spectrum. The desulfo derivative of the putative 9mSn ([89]), poorly characterized in the literature, was also investigated (G).	Fig. 1. MS2 spectra of pairs of desulfoglucosinolates with and without a side chain double bond. Four short chain desulfoglucosinolates were investigated, including Na+ adducts of all (A–D) and in addition H+ adducts of the methylthio substituted (E–F), as indicated in each spectrum. The desulfo derivative of the putative 9mSn ([89]), poorly characterized in the literature, was also investigated (G).	2021-05-31	Agerbirk, Niels;Hansen, Cecilie Cetti;Olsen, Carl Erik;Kiefer, Christiane;Hauser, Thure P.;Christensen, Stina;Jensen, Karen R.;Ørgaard, Marian;Pattison, David I.;Lange, Conny Bruun Asmussen;Cipollini, Don;Koch, Marcus A.		Zenodo	biologists	Agerbirk, Niels;Hansen, Cecilie Cetti;Olsen, Carl Erik;Kiefer, Christiane;Hauser, Thure P.;Christensen, Stina;Jensen, Karen R.;Ørgaard, Marian;Pattison, David I.;Lange, Conny Bruun Asmussen;Cipollini, Don;Koch, Marcus A.			
66798798FFAFFFF0630AFF35FAECFAE2.taxon	http://purl.org/dc/dcmitype/StillImage	image/png	https://zenodo.org/record/8259682/files/figure.png	https://doi.org/10.5281/zenodo.8259682	Fig. 3. HPLC-MS chromatograms of desulfoglucosinolates (dGSLs) prepared from glucosinolates (GSLs) in Planodes virginica (A) and Nasturtium officinale (B–C) seeds, showing qualitative similarities and quantitative contrasts. Major peaks (B) from N. officinale revealed many of the same GSLs as in A, but levels of EBAR (40R) were much lower while levels were much higher for the biosynthetic precursor PE (105). A focus on trace peaks from N. officinale (C) revealed sharp peaks representing a range of minor constituents. Due to the closely eluting peaks, the latter chromatograms (B–C) were made by combining extracted ion chromatograms corresponding to [M+Na]+ of the indicated dGSLs. In C, the m/z 366 signal of d105 was omitted to allow visualization of minor coeluting peaks. An asterisk after a peak number indicates tentative identification. HPLC-MS conditions as in Olsen et al. (2016). TIC, total ion chromatogram, EIC, extracted ion chromatogram.	Fig. 3. HPLC-MS chromatograms of desulfoglucosinolates (dGSLs) prepared from glucosinolates (GSLs) in Planodes virginica (A) and Nasturtium officinale (B–C) seeds, showing qualitative similarities and quantitative contrasts. Major peaks (B) from N. officinale revealed many of the same GSLs as in A, but levels of EBAR (40R) were much lower while levels were much higher for the biosynthetic precursor PE (105). A focus on trace peaks from N. officinale (C) revealed sharp peaks representing a range of minor constituents. Due to the closely eluting peaks, the latter chromatograms (B–C) were made by combining extracted ion chromatograms corresponding to [M+Na]+ of the indicated dGSLs. In C, the m/z 366 signal of d105 was omitted to allow visualization of minor coeluting peaks. An asterisk after a peak number indicates tentative identification. HPLC-MS conditions as in Olsen et al. (2016). TIC, total ion chromatogram, EIC, extracted ion chromatogram.	2021-05-31	Agerbirk, Niels;Hansen, Cecilie Cetti;Olsen, Carl Erik;Kiefer, Christiane;Hauser, Thure P.;Christensen, Stina;Jensen, Karen R.;Ørgaard, Marian;Pattison, David I.;Lange, Conny Bruun Asmussen;Cipollini, Don;Koch, Marcus A.		Zenodo	biologists	Agerbirk, Niels;Hansen, Cecilie Cetti;Olsen, Carl Erik;Kiefer, Christiane;Hauser, Thure P.;Christensen, Stina;Jensen, Karen R.;Ørgaard, Marian;Pattison, David I.;Lange, Conny Bruun Asmussen;Cipollini, Don;Koch, Marcus A.			
66798798FFAFFFF0630AFF35FAECFAE2.taxon	http://purl.org/dc/dcmitype/StillImage	image/png	https://zenodo.org/record/8259684/files/figure.png	https://doi.org/10.5281/zenodo.8259684	Fig. 4. HPLC-MS chromatogram of desulfoglucosinolates (dGSLs) prepared from glucosinolates (GSLs) from leaves (A) and petioles (B) of horseradish (Armoracia rusticana), focusing on trace level GSLs. The chromatograms were made by combining extracted ion chromatograms corresponding to [M+Na]+ of the indicated dGSLs, from analyses that were much overloaded with respect to the dominating dGSL d107 from Pren. In panel A, an insert shows magnification of the chromatogram from 5.2 to 5.8 min. Neither suggested BAR nor EBAR were detectable. In panel B, only extracted ion chromatograms of m/z 382 (BAR/EBAR), 352 (BZ), 366 (PE), 380 (3PP), 394 (4PB), 408 (5PP at high tR and 6mSOh at 5.4 min), 422 (7mSOh) and 436 (8mSOo) are included. Unlabeled trace peaks did not exhibit a combination of tR and m/z suitable for any of the mentioned candidates. HPLC conditions as in Olsen et al. (2016). Panel A depicts analysis of the Copenhagen garden accession; panel B from the naturalized population at Lake Fures¨o. An asterisk after a peak number indicates tentative identification.	Fig. 4. HPLC-MS chromatogram of desulfoglucosinolates (dGSLs) prepared from glucosinolates (GSLs) from leaves (A) and petioles (B) of horseradish (Armoracia rusticana), focusing on trace level GSLs. The chromatograms were made by combining extracted ion chromatograms corresponding to [M+Na]+ of the indicated dGSLs, from analyses that were much overloaded with respect to the dominating dGSL d107 from Pren. In panel A, an insert shows magnification of the chromatogram from 5.2 to 5.8 min. Neither suggested BAR nor EBAR were detectable. In panel B, only extracted ion chromatograms of m/z 382 (BAR/EBAR), 352 (BZ), 366 (PE), 380 (3PP), 394 (4PB), 408 (5PP at high tR and 6mSOh at 5.4 min), 422 (7mSOh) and 436 (8mSOo) are included. Unlabeled trace peaks did not exhibit a combination of tR and m/z suitable for any of the mentioned candidates. HPLC conditions as in Olsen et al. (2016). Panel A depicts analysis of the Copenhagen garden accession; panel B from the naturalized population at Lake Fures¨o. An asterisk after a peak number indicates tentative identification.	2021-05-31	Agerbirk, Niels;Hansen, Cecilie Cetti;Olsen, Carl Erik;Kiefer, Christiane;Hauser, Thure P.;Christensen, Stina;Jensen, Karen R.;Ørgaard, Marian;Pattison, David I.;Lange, Conny Bruun Asmussen;Cipollini, Don;Koch, Marcus A.		Zenodo	biologists	Agerbirk, Niels;Hansen, Cecilie Cetti;Olsen, Carl Erik;Kiefer, Christiane;Hauser, Thure P.;Christensen, Stina;Jensen, Karen R.;Ørgaard, Marian;Pattison, David I.;Lange, Conny Bruun Asmussen;Cipollini, Don;Koch, Marcus A.			
66798798FFA3FFFB634CF96BFA8EF8F0.taxon	http://purl.org/dc/dcmitype/StillImage	image/png	https://zenodo.org/record/8259688/files/figure.png	https://doi.org/10.5281/zenodo.8259688	Fig. 6. Lack of the aliphatic glucosinolate (GSL) Pren (107) in B. vulgaris and spiking of pure (intact) Pren for establishing the limit of detection. A. Total ion chromatogram for the three dominating peaks in G-type B. vulgaris (dGSL preparation). B. Extracted ion trace for desulfo Pren in the same extract as A, showing lack of detection. C, D, E. Results of serial spiking of the crude extract with serial 10-fold dilutions of Pren before the desulfation procedure, showing linearity also at low levels and ability to detect trace levels.	Fig. 6. Lack of the aliphatic glucosinolate (GSL) Pren (107) in B. vulgaris and spiking of pure (intact) Pren for establishing the limit of detection. A. Total ion chromatogram for the three dominating peaks in G-type B. vulgaris (dGSL preparation). B. Extracted ion trace for desulfo Pren in the same extract as A, showing lack of detection. C, D, E. Results of serial spiking of the crude extract with serial 10-fold dilutions of Pren before the desulfation procedure, showing linearity also at low levels and ability to detect trace levels.	2021-05-31	Agerbirk, Niels;Hansen, Cecilie Cetti;Olsen, Carl Erik;Kiefer, Christiane;Hauser, Thure P.;Christensen, Stina;Jensen, Karen R.;Ørgaard, Marian;Pattison, David I.;Lange, Conny Bruun Asmussen;Cipollini, Don;Koch, Marcus A.		Zenodo	biologists	Agerbirk, Niels;Hansen, Cecilie Cetti;Olsen, Carl Erik;Kiefer, Christiane;Hauser, Thure P.;Christensen, Stina;Jensen, Karen R.;Ørgaard, Marian;Pattison, David I.;Lange, Conny Bruun Asmussen;Cipollini, Don;Koch, Marcus A.			
66798798FFA3FFFB634CF96BFA8EF8F0.taxon	http://purl.org/dc/dcmitype/StillImage	image/png	https://zenodo.org/record/8259690/files/figure.png	https://doi.org/10.5281/zenodo.8259690	Fig. 7. Levels of major glucosinolates in leaves of first year rosette plants of the Gtype (A) and P-type (B) of Barbarea vulgaris in plants subjected to various challenges or no challenge as control. The contrasting general profile of the types is evident from dominance of BAR in the G-type and EBAR in the P-type. Treatment codes are: Control, un-challenged plants harvested after 7 days; Pieris 3d and Pieris 7d, herbivory by Pieris brassicae larvae until harvest at either day 3 or day 7; Plutella, herbivory by Plutella xylostella for 4 days; CuCl2, spraying of leaves with 10 mM CuCl2 (aq.) followed by recovery for 4 days. Bars represent means, whiskers indicate standard deviation (N = 3 for each group).	Fig. 7. Levels of major glucosinolates in leaves of first year rosette plants of the Gtype (A) and P-type (B) of Barbarea vulgaris in plants subjected to various challenges or no challenge as control. The contrasting general profile of the types is evident from dominance of BAR in the G-type and EBAR in the P-type. Treatment codes are: Control, un-challenged plants harvested after 7 days; Pieris 3d and Pieris 7d, herbivory by Pieris brassicae larvae until harvest at either day 3 or day 7; Plutella, herbivory by Plutella xylostella for 4 days; CuCl2, spraying of leaves with 10 mM CuCl2 (aq.) followed by recovery for 4 days. Bars represent means, whiskers indicate standard deviation (N = 3 for each group).	2021-05-31	Agerbirk, Niels;Hansen, Cecilie Cetti;Olsen, Carl Erik;Kiefer, Christiane;Hauser, Thure P.;Christensen, Stina;Jensen, Karen R.;Ørgaard, Marian;Pattison, David I.;Lange, Conny Bruun Asmussen;Cipollini, Don;Koch, Marcus A.		Zenodo	biologists	Agerbirk, Niels;Hansen, Cecilie Cetti;Olsen, Carl Erik;Kiefer, Christiane;Hauser, Thure P.;Christensen, Stina;Jensen, Karen R.;Ørgaard, Marian;Pattison, David I.;Lange, Conny Bruun Asmussen;Cipollini, Don;Koch, Marcus A.			
66798798FFA3FFFB634CF96BFA8EF8F0.taxon	http://purl.org/dc/dcmitype/StillImage	image/png	https://zenodo.org/record/8259692/files/figure.png	https://doi.org/10.5281/zenodo.8259692	Fig. 8. The intraspecific diversity of Barbarea vulgaris and relations to other species in the genus analyzed by parsimony network analysis of ITS regions from Barbarea accessions using SplitsTree (Huson and Briant, 2006). The B. vulgaris ITS sequences are defined as seven groups and detailed accession information is found in Supplementary Table S1. The respective alignment is shown in Supplementary Table S2, and bootstrap values are provided for 1000 replicates.	Fig. 8. The intraspecific diversity of Barbarea vulgaris and relations to other species in the genus analyzed by parsimony network analysis of ITS regions from Barbarea accessions using SplitsTree (Huson and Briant, 2006). The B. vulgaris ITS sequences are defined as seven groups and detailed accession information is found in Supplementary Table S1. The respective alignment is shown in Supplementary Table S2, and bootstrap values are provided for 1000 replicates.	2021-05-31	Agerbirk, Niels;Hansen, Cecilie Cetti;Olsen, Carl Erik;Kiefer, Christiane;Hauser, Thure P.;Christensen, Stina;Jensen, Karen R.;Ørgaard, Marian;Pattison, David I.;Lange, Conny Bruun Asmussen;Cipollini, Don;Koch, Marcus A.		Zenodo	biologists	Agerbirk, Niels;Hansen, Cecilie Cetti;Olsen, Carl Erik;Kiefer, Christiane;Hauser, Thure P.;Christensen, Stina;Jensen, Karen R.;Ørgaard, Marian;Pattison, David I.;Lange, Conny Bruun Asmussen;Cipollini, Don;Koch, Marcus A.			
66798798FFA5FFF9634CF89DFE66FECF.taxon	http://purl.org/dc/dcmitype/StillImage	image/png	https://zenodo.org/record/8259695/files/figure.png	https://doi.org/10.5281/zenodo.8259695	Fig. 9. Extracted ion HPLC-MS chromatograms of desulfoglucosinolates prepared from glucosinolates (GSLs) in seeds (A–F) or leaves (G) of Reseda luteola and seeds of Reseda odorata (H). The three major peaks (A, B, C) represent PE, IM and BAR, much like many Barbarea spp. Focus on minor peaks (D) allowed conclusive identification of EBAR, confirmed by tR and the characteristic MS2 spectrum. A range of putative derivatives were not detected (E, F), but an unidentified hydroxybutylGSL was present (G), as was a known glycoside in R. odorata.	Fig. 9. Extracted ion HPLC-MS chromatograms of desulfoglucosinolates prepared from glucosinolates (GSLs) in seeds (A–F) or leaves (G) of Reseda luteola and seeds of Reseda odorata (H). The three major peaks (A, B, C) represent PE, IM and BAR, much like many Barbarea spp. Focus on minor peaks (D) allowed conclusive identification of EBAR, confirmed by tR and the characteristic MS2 spectrum. A range of putative derivatives were not detected (E, F), but an unidentified hydroxybutylGSL was present (G), as was a known glycoside in R. odorata.	2021-05-31	Agerbirk, Niels;Hansen, Cecilie Cetti;Olsen, Carl Erik;Kiefer, Christiane;Hauser, Thure P.;Christensen, Stina;Jensen, Karen R.;Ørgaard, Marian;Pattison, David I.;Lange, Conny Bruun Asmussen;Cipollini, Don;Koch, Marcus A.		Zenodo	biologists	Agerbirk, Niels;Hansen, Cecilie Cetti;Olsen, Carl Erik;Kiefer, Christiane;Hauser, Thure P.;Christensen, Stina;Jensen, Karen R.;Ørgaard, Marian;Pattison, David I.;Lange, Conny Bruun Asmussen;Cipollini, Don;Koch, Marcus A.			
66798798FFA5FFF9634CF89DFE66FECF.taxon	http://purl.org/dc/dcmitype/StillImage	image/png	https://zenodo.org/record/8259678/files/figure.png	https://doi.org/10.5281/zenodo.8259678	Fig. 1. MS2 spectra of pairs of desulfoglucosinolates with and without a side chain double bond. Four short chain desulfoglucosinolates were investigated, including Na+ adducts of all (A–D) and in addition H+ adducts of the methylthio substituted (E–F), as indicated in each spectrum. The desulfo derivative of the putative 9mSn ([89]), poorly characterized in the literature, was also investigated (G).	Fig. 1. MS2 spectra of pairs of desulfoglucosinolates with and without a side chain double bond. Four short chain desulfoglucosinolates were investigated, including Na+ adducts of all (A–D) and in addition H+ adducts of the methylthio substituted (E–F), as indicated in each spectrum. The desulfo derivative of the putative 9mSn ([89]), poorly characterized in the literature, was also investigated (G).	2021-05-31	Agerbirk, Niels;Hansen, Cecilie Cetti;Olsen, Carl Erik;Kiefer, Christiane;Hauser, Thure P.;Christensen, Stina;Jensen, Karen R.;Ørgaard, Marian;Pattison, David I.;Lange, Conny Bruun Asmussen;Cipollini, Don;Koch, Marcus A.		Zenodo	biologists	Agerbirk, Niels;Hansen, Cecilie Cetti;Olsen, Carl Erik;Kiefer, Christiane;Hauser, Thure P.;Christensen, Stina;Jensen, Karen R.;Ørgaard, Marian;Pattison, David I.;Lange, Conny Bruun Asmussen;Cipollini, Don;Koch, Marcus A.			
