Table 4.
Identification of the Major Soluble Phenolic Compounds Differentially Expressed in hpCCR1-1 Compared to Controls by LC-MS Analysis
| No. | hpCCR1 versus Controls (Fold Change) | RTa | m/z [M] | Accurate MS | MS2 | Identityb |
| 15 | Down (3.2) | 4.4 | 166 [M+H]+ | 166.0805 | 149, 120 | Phe |
| 16 | Up (13.3) | 10.4 | 353 [M-H]− 707 [2M-H− | 353.0852 | 353, 191 | Caffeoylquinic acid |
| 17 | Up (5.1) | 10.7 | 771 [M-H]− | 771.1908 | 609, 462, 301 | Rutin-7-glycoside |
| 18 | Up (3.9) | 11.4 | 755 [M-H]− | 755.1962 | 593, 285 | Kaempferol-7,3-glycoside ferulic acid |
| 19 | Up (3.6) | 11.8 | 695 [M-H]− (697 [M+H]+) | 695.1393 | 651, 530, 488, 447, 287 (534, 448, 287) | Kaempferol diglucoside malonate |
| 20 | Up (5.9) | 12.1 | 335 [M-H]− | 335.0852 | NA | Caffeoyl shikimic acid |
| 21 | Down (384) | 12.5 | 434 [M+H]+ | 434.2014 | 288 | U1 |
| 22 | Up (14.1) | 12.7 | 337 [M-H]− | 337.0908 | 191 | Coumaroyl quinic acid |
| 23 | Down (9.5) | 13.1 | 163 [M-H]− | 163.0399 | NA | Coumaric acid |
| 24 | Down (220) | 13.3 | 333 [M+H]+ | 333.1244 | 318, 289 | U2 |
| 25 | Up (3.1) | 13.4 | 609 [M-H]− | 609.1394 | 447, 301 | Rutin |
| 26 | Down (4.8) | 13.5 | 165 [M+H]+ | 165.0196 | NA | Caffeoyl aldehyde |
| 27 | Up (4.3) | 13.9 | 593 [M-H]− | 593.1446 | 285 | Kaempferol-O-rutinoside |
| 28 | Up (3.6) | 13.9 | 193 [M-H]− | 193.0497 | NA | Ferulic aicd |
| 29 | Up (15.0) | 14.0 | 223 [M-H]− | 223.0597 | NA | Sinapic acid |
| 30 | Up (2.9) | 14.7 | 447 [M-H]− | 447.0906 | 285 | Kaempferol-O- glycoside |
| 31 | Up (2.9) | 14.9 | 535 [M+H]+ 533 [M-H]− | 535.0891 533.0879 | 287 447, 285 | U3 |
| 32 | Down (74.4) | 15.0 | 637 [M-H]− | 637.1335 | 331 | U4 |
| 33 | Down (3.9) | 15.2 | 209 [M-H]− | 209.0785 | 165 | 5-Hydroxyferulic acid |
| 34 | Downc | 15.4 | 177 [M-H]− | 177.0549 | NA | Coniferaldehyde |
| 35 | Down (3.4) | 15.5 | 207 [M-H]− | 207.0653 | NA | Sinapaldehyde |
| 36 | Down (2.1) | 18.9 | 327 [M-H]− | 327.2130 | 309, 291, 229, 211, 201, 171, 155 | U5 |
| 37 | Down (3.1) | 19.7 | 329 [M-H]− | 329.2287 | 314 | U6 |
| 38 | Up (48.2) | 24.7 | 721 [M-H]− | 721.3574 | 675, 415, 397 | U7 |
| 39 | Up (2.9) | 27.4 | 559 [M-H]− | 559.3062 | 513, 277, 253 | U8 |
| 40 | Down (2.1) | 27.5 | 293 [M-H]− | 293.2079 | 275, 265, 249, 231, 224, 205, 195, 179 | U9 |
a
Retention time (RT) is expressed in minutes and denotes the peak of the eluting metabolite by MS ion extraction.
b
U denotes an unidentified metabolite
c
There was no detectable peak in the hpCCR1-1 chromatograms (average response for control plants was 59,899).