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. 2020 Dec 17;9(12):2707. doi: 10.3390/cells9122707

Table 3.

List of differentially abundant compounds in M. sativa stems after long-term Cd exposure. Data were obtained by UHPLC–MS in positive mode, with MS/MS experiments. The relative abundance of each peak in stems of control and Cd-exposed plants is based on the selected ion current and is presented as the average normalized value of two technical replicates from five biological replicates. Abbreviations: Rt, retention time; nd, not detected.

Rt (min) Relative Abundance Fold [M + H] Error (ppm) Molecular Formula MSMS [M + H] Putative Identity Reference
Cadmium-Exposed Control
2.5 1 114 113.29 276.107 −2.82 C11H19NO8 138.0521 96.0424 144.0625 126.0524 84.0413 N-acetyl-hexosamine derivative
16.62 82 312 3.92 271.0593 −2.95 C15H10O5 215.0675 149.0229 57.0700 43.0562 Trihydroxy(iso)flavone conjugated [64,65]
18.17 288 16 17.84 241.0853 −2.57 C15H12O3 107.0438 131.0451 147.0454 123.0414 77.0363 Unknown compound
19.04 380 65 5.83 607.1284 −1.58 C27H26O16 255.0602 Dihydroxy(iso)flavone-di-hexuronide [64,65]
19.46 139 15 9.17 607.01278 −2.57 C27H26O16 255.0560 Dihydroxy(iso)flavone di-hexuronide [64,65]
19.65 36 3 12.82 463.1224 −2.35 C22H22O11 301.0698 241.0524 269.0445 213.0523 145.0240 Trihydroxy-methoxy-(iso)flavone hexoside [64,65,66]
20.07 281 70 3.99 431.0957 −3.64 C21H18O10 255.0646 137.0214 145.0236 119.0462 Dihydroxy(iso)flavone hexuronide [64,65]
20.37 58 10 6.03 431.0959 −3.18 C21H18O10 255.0629 137.0224 145.0267 119.0485 Dihydroxy(iso)flavone hexuronide [64,65]
21.13 76 nd treated only 489.1382 −1.9 C24H26O12 241.0828 131.0497 147.0428 213.0866 107.0483 Unknown compound [65]
21.82 24 53 2.22 449.1063 −3.43 C21H20O11 287.0529 153.0133 269.0445 259.0586 Tetrahydroxy(iso)flavone-hexoside [64,68]
23.07 104 4 23.42 563.1382 −2.36 C26H26O14 315.0839 299.0534 254.0531 Dihydroxy- dimethoxy-(iso)flavone malonate-hexoside derivative [64,65]
23.22 70 1 61.76 533.1279 −2.01 C25H24O13 285.0756 270.0515 253.0510 225.0545 242.0553 Dihydroxy methoxy-(iso)flavone malonate-hexoside derivative [64,65]
23.94 61 17 3.51 255.0640 −4.67 C15H10O4 255.0638 137.0209 145.0263 119.0462 93.0307 Dihydroxy(iso)flavone [65]
24.02 86 2 37.18 563.1376 −3.43 C26H26O14 315.0834 300.0593 283.0562 255.0645 Dihydroxy- dimethoxy-(iso)flavone malonate-hexoside derivative [64,65]
24.78 70 1 90.39 563.1376 −3.43 C26H26O14 315.0868 207.0628 175.0371 300.0625 147.0419 Dihydroxy- dimethoxy-(iso)flavone malonate-hexoside derivative [64,65]
25.19 32 9 3.75 299.0907 −2.34 C17H14O5 299.0955 284.0663 93.0674 256.0754 166.0265 Dimethoxy-hydroxy(iso)flavone [64]
26.18 74 7 9.93 517.1324 −3.19 C25H24O12 269.0809 254.0608 237.0551 213.0890 107.0488 Hydroxy-methoxy(iso)flavone malonyl hexose [64,69,71]
26.79 1999 287 6.97 517.1324 −3.19 C25H24O12 269.0804 254.0569 213.0902 237.0544 226.0615 Hydroxy-methoxy-(iso)flavone malonate-hexoside derivative [64,71]
26.90 593 50 11.85 547.1433 −2.41 C26H26O13 299.0914 284.0680 256.0706 239.0703 Dimethoxy-hydroxy(iso)flavone malonate-hexoside derivative [64]
27.55 46 nd treated only 533.1272 −3.26 C25H24O13 151.0376 123.0401 285.0806 Unknown compound
28.35 611 100 6.10 519.1478 −3.70 C25H26O12 137.0575 271.0961 161.0581 123.0421 201.1603 Hydroxy methoxy-pterocarpan malonate-hexoside derivative [64,69,71]
28.50 32 nd treated only 329.1011 −2.70 C18H16O6 329.1008 313.0722 285.0746 295.0591 267.0649 Unknown compound
30.18 387 105 3.69 299.0904 −3.34 C17H14O5 299.0915 284.0663 256.0721 132.0539 227.0699 Dimethoxy-hydroxy(iso)flavone [64,65]
31.13 73 19 3.86 271.0954 −4.02 C16H14O4 137.0573 109.0621 79.0524 123.0413 161.0578 Pterocarpan [64,69]
36.48 23 nd treated-only 511.1372 −3.01 C30H22O8 137.0214 375.1088 439.2446 265.0972 Hydroxylated chalcone dimer [65]