Table 2 Peak identification by HPLC–UV-MS/MS analysis for the S9-treated OE extract

1

Kaempferol-sinapoyl-tetrahexoside

222, 268, 331

1139 [M−H]

569 [M-2H]²⁻

[1139] 977, 771, 547, 223

1141 [M+H]⁺

531

[1141] 531, 369, 351, 287, 207, 175

2

Kaempferol-sinapoyl-trihexoside

223, 268, 331

977 [M−H]⁻

[977] 815, 609, 591, 446, 284, 205

979 [M+H]⁺

[979] 449, 369, 351, 287, 207, 175, 127

3

Sinapoyl-hexoside

235, 331

385 [M−H]⁻

[385] 325, 265, 247, 223, 205, 190, 175

795 [2M+Na]⁺

[795] 409, 247, 207, 185

4

Neoglucobrassicin

223, 268, 299, 320^a

477 [M−H]⁻

[477] 446, 259

–

–

6

Sinapic acid^b

227, 322

–

–

225 [M+H]⁺

247[M+Na]⁺

207

–

7

Sinapoyl malate

236, 329

339 [M−H]⁻

679 [2M−H]⁻

[339] 223

[679] 339, 223

703 [2M+Na]⁺

[703] 363, 229, 207, 175, 157

8

Disinapoyl-dihexoside

226, 329

753 [M−H]⁻

[753] 529, 265, 247, 223, 205, 190

531 [M−224+H]⁺

777 [M + Na]⁺

[531] 369, 351, 225, 207, 175, 147, 127

9

Kaempferol-disinapoyl-trihexoside

225, 268, 329

1183 [M−H]

591 [M−2H]²⁻

[591] 609, 652, 488, 407, 367, 325, 284, 265, 205, 223

1185 [M+H]⁺

1207 [M+Na]⁺

[1185] 655, 369, 351, 287, 207, 175

10

Disinapoyl-dihexoside (isomer of 8)

225, 333

753 [M−H]⁻

[753] 529, 265, 247, 223, 205, 190

777 [M+Na]⁺

531 [M−224+H]⁺

[777] 553, 467, 329, 301, 245, 207, 175

11

Disinapoyl-hexoside

226, 329

591 [M−H]⁻

[591] 367, 352, 223, 205

369 [M−224+H]⁺

[369] 207, 175

12

Trisinapoyl-dihexoside

226, 326

959 [M−H]⁻

[959] 735, 529, 511, 247, 223, 205

737 [M−224+H]⁺

[737] 369, 351, 207, 175, 127

13

Trisinapoyl-dihexoside (isomer of 12)

225, 326

959 [M−H]⁻

[959] 735, 511, 223, 205

737 [M−224+H]⁺

[737] 369, 351, 225, 207, 175, 147,127

14

Methyl sinapate

226, 324

–

–

239 [M+H]⁺

261 [M+Na]⁺

207

[239] 207, 192, 175, 147, 119, 91