Table 1.

Details of analysis of intact glucosinolates (Gls) by LC-MS/MS (HPLC 1200 (Agilent Technologies)-API 5000 (Applied Biosystems)) in negative ionisation mode. Given are the parent-to-product ion transitions used to quantify each compound. LC conditions: flow rate 800 μL/min, formic acid 0.05 % (A), acetonitrile (B): 95 % A (0.5 min), 95–60 % A (3.5 min), 60–0 % A (0.1 min), 0 % A (1.9 min), 0–95 % A (0.1 min), 95 % A (2.4 min). DP, declustering potential; CE, collision energy

Compound	Q1 Mass (Da)	Q3 Mass (Da)	DP	CE	Molar response factor
3-methylsulfinylpropyl-Gls	422.0	95.9	−65	−60	1.04
4-methylsulfinylbutyl-Gls	436.0	95.9	−65	−60	0.79
5-methylsulfinylpentyl-Gls	450.0	95.9	−65	−60	1.24
7-methylsulfinylheptyl-Gls	478.0	95.9	−65	−60	0.93
8-methylsulfinyloctyl-Gls	492.0	95.9	−65	−60	0.32
4-methylthiobutyl-Gls	420.0	95.9	−65	−60	0.74
Indolyl-3-methyl-Gls	447.0	95.9	−65	−60	0.34
4-Methoxy-indolyl-3-methyl-Gls	477.0	95.9	−65	−60	0.25
1-Methoxy-indolyl-3-methyl-Gls	477.0	95.9	−65	−60	0.25
para-Hydroxybenzyl Gls	424.0	95.9	−65	−60	1.00