Table 2.

T-2 toxin and its (putative) biotransformation products in barley

T2 metabolites		RT (min)	m/z d	Iond	Mass accuracy (ppm)	Positive/negativee	C-atomsf	Sum formulag
	T2a	17.9	484.2532	[M + NH4]+	−1.9	+	24	C24H34O9
1	15-Acetyl-T2-tetraol-Glcbh	6.7	520.2384	[M + NH4]+	−0.9	+/−	17	C23H34O12
2	15-Acetyl-T2-tetraol-MalGlcbh	8.3	606.2382	[M + NH4]+	−1.7	+/−	17	C26H36O15
3	15-Acetyl-T2-tetraol-Glc[–2H]ch	9.3	545.1872	[M + HCOO]−	−0.7	+/−	17	C23H32O12
4	Hydroxy-HT2-Glcb	12.1	620.2902	[M + NH4]+	−1.7	+/−	22	C28H42O14
5	Hydroxy-HT2-MalGlcb	12.6	706.2912	[M + NH4]+	−0.7	+/−	22	C31H44O17
6	T2-triol-Glcb	14.9	589.2500	[M + HCOO]−	−0.3	+/−	20	C26H40O12
7a	HT2-di-Glcb	15.2	793.3139	[M + HCOO]−	+0.4	+/−	22	C34H52O18
7b	HT2-di-Glcb	15.8	793.3139	[M + HCOO]−	+0.4	+/−	22	C34H52O18
8	HT2-3-O-β-Glca	16.1	604.2953	[M + NH4]+	−1.8	+/−	22	C28H42O13
9	HT2-MalGlcb	16.1	690.2952	[M + NH4]+	−2.3	+/−	22	C31H44O16
10	HT2a	16.8	442.2428	[M + NH4]+	−1.7	+/−	22	C22H32O8
11	T2-Glcc	17.0	651.2617	[M + Na]+	−1.0	+	24	C30H44O14
12	3-Acetyl-T2a	19.1	526.2640	[M + NH4]+	−1.3	+	24	C26H36O10
13a	Feruloyl-T2bh	20.0	665.2557	[M + Na]+	−1.7	+	24	C34H42O12
13b	Feruloyl-T2bh	20.2	665.2551	[M + Na]+	−2.6	+	24	C34H42O12

RT retention time, HT2 HT-2 toxin, T2 T-2 toxin, Glc glucoside, MalGlc malonylglucoside

^aConfirmation with standard by comparison of retention time, accurate mass and HRMS/MS spectra

^bAnnotation with accurate mass, sum formula calculations and HRMS/MS spectra

^cAnnotation with accurate mass and sum formula calculations

^dAccurate mass and ion species either of the chosen precursor for the follow-up MS/MS experiments or the most abundant ion species for metabolites with low intensity are provided

^eDetected polarity of compound either by untargeted approach or manually found

^fNumber of C-atoms derived from parent toxin

^gSum formula of neutral compound

^hNot recognised by untargeted approach