Table 1.
The composition of the 50% EtOH (v/v) extract from tubers of black A variety of Lepidium peruvianum recorded in the negative ionization mode. (RDB—rings and double bond number, delta—error of mass measurement, ion—ionization mode: positive or negative, ND—not detected). Compounds depicted in bold were subjects of chemometric considerations.
| No. | Ion. (+/−) | Rt (min) | Molecular Formula |
m/z Calculated |
m/z Experimental |
Delta (ppm) | RDB | MS/MS | Proposed Compound | References |
|---|---|---|---|---|---|---|---|---|---|---|
| 1 | - | 1.88 | C6H12O7 | 195.051 | 195.052 | −4.97 | 1 | 159, 129 | Gluconic acid | [31] |
| 2 | - | 2.06 | C4H6O5 | 133.0142 | 133.0142 | 0.35 | 2 | 115 | Malic acid | [31] |
| 3 | - | 2.79 | C6H8O7 | 191.0197 | 191.0209 | −6.11 | 3 | 155, 111 | Citric Acid | [31] |
| 4 | - | 3.09 | C4H6O4 | 117.0199 | 117.0193 | −4.81 | 2 | Succinic acid | [32] | |
| 5 | - | 5.48 | C14H19NO10S2 | 424.0378 | 424.0387 | −2.21 | 6 | 274, 182 | Glucosinalbin (G1) | [33] |
| 6 | - | 9.26 | C14H19NO9S2 | 408.0428 | 408.0430 | −0.38 | 6 | 258, 195 | Glucotropaeolin (G2) | [33] |
| 7 | - | 12.4 | C15H21NO10S2 | 438.0534 | 438.0541 | −1.57 | 6 | 196 | Glucolimnanthin (G3) | [33] |
| 8 | - | 13.3 | C17H22N2O10S2 | 477.0643 | 477.0665 | −4.58 | 8 | 4-methoxyglucobrassicacin (G4) | [33] | |
| 9 | - | 15.43 | C11H18N2O4 | 241.1194 | 241.1199 | −2.15 | 4 | 197 | Pyroglutamylleucine | [34] |
| 10 | - | 15.71 | C22H36ON2S | 551.1727 | 551.1754 | −2.79 | 6 | 389, 235 | 4-methoxyindolyl-3-hexylhydroxyglucosinolate (G5) | [35] |
| 11 | - | 15.8 | C11H21NOS2 | 246.0992 | 246.1006 | −5.75 | 2 | 210, 130 | 1-isothiocyanato-9-methanesulfinylnonane (G6) | [36] |
| 12 | - | 16.8 | C15H29O10NS2 | 446.1154 | 446.1116 | 9.87 | 2 | ND | Indolyl-5-methylglucosinolate (IMG) | [37] |
| 13 | - | 17.02 | C12H24O7N2S2 | 371.0941 | 371.1000 | −9.9 | 2 | 249, 121 | Pent-4-enylglucosinolate (G7) | [33] |
| 14 | - | 17.6 | C13H25NO10S3 | 450.0568 | 450.0570 | −0.48 | 2 | 316 | Glucoalyssin (G8) | [33] |
| 15 | - | 17.7 | C22H38O9N2S2 | 521.1985 | 521.2016 | −3.67 | 5 | ND | indolyl3-hexyl-4-methyl-cyclohexaneglucosinolate (G9) | [33] |
| 16 | - | 20.3 | C11H10O6 | 237.0405 | 237.0406 | −0.58 | 7 | 121 | Malic acid benzoate | [16] |
| 17 | - | 20.35 | C7H602 | 121.03 | 121.0295 | −4.07 | 5 | ND | Benzoic acid derivative | [33] |
| 18 | - | 20.35 | C24H18O12 | 497.0725 | 497.0697 | 5.72 | 16 | 381, 237 | Fucodiphlorethol | [38] |
| 19 | - | 25.6 | C18H32O5 | 327.2177 | 327.2195 | −5.49 | 3 | 229, 171 | Trihydroxy-(3)-octadecadienoic acid | [39] |
| 20 | - | 26.9 | C18H34O5 | 329.2333 | 329.2363 | −8.94 | 2 | 211, 171 | Pinellic acid (9(S),12(S),13(S)-Trihydroxy-10(E)-octadecenoic acid) | [40] |