Hydroxycinnamoyl or hydroxycinnamic acid may be lost during MSn analysis, and the presence of gentiobiose can be
deduced from the loss of 306 Da. Peak 78 was defined as 1,2-disinapoylglucoside, which has been previously reported.30 1,2-Disinapoylglucoside shows an MS2 ion fragment at m/z 367 from the loss of 224 Da and MS3 fragments at m/z 352, 223,and 179 from losses of 15 Da (a methyl on sinapoyl), 144 Da (aglucosyl without H2O), and 188 Da (a sinapoyl without H2O),respectively.