Table 4.
Examples of metabolites putatively identified from litter extracts of Q. pubescens according to litter types (Natural Drought (ND) and Amplified Drought (AD)). RT: Retention Time in minutes, VIP: Variable Important in Projection. mSigma is a constructor quality value of the formula determination. The closer the value is to zero, the more accurate the result.
| Litter Types | VIP | RT (min) | m/z [M + H]+ | m/z [M − H]− | Molecular Formula [M − H]− | Error (PPM) | mSigma | Putative Identification | Ref. |
|---|---|---|---|---|---|---|---|---|---|
| AD | M711T533 | 8.88 | / | 711.3964 [M + HCOO]− |
C37H59O13 | −0.5 | 25.8 | Arjungenin glycoside isomer 1 | [49] |
| 665.3906 | C36H57O11 | 4.6 | na | ||||||
| AD | M711T496 | 8.26 | / | 711.3965 [M + HCOO]− |
C37H59013 | −0.9 | 14.9 | Arjungenin glycoside isomer 2 | [49] |
| 665.3906 | C36H57O11 | −5.5 | 425.9 | ||||||
| AD | M503T633 | 10.55 | / | 503.3382 | C30H47O6 | −0.5 | 3.9 | Oleane triterpene | [50] |
| AD | M695T600 | 10.00 | / | 695.4018 [M + HCOO]− |
C37H59O12 | −1.4 | 6.9 | Arjunglucoside II or arjunetin | [49] [51] |
| 649.3957 | C36H57O10 | −2.7 | NA | ||||||
| ND | M387T49 | 0.81 | / | 387.1144 | C13H23O13 | 0.5 | 11 | Disaccharide | [48] |
| ND | M702T383 (isotope) |
6.38 | / | 701.5749 [M − H]2− |
C57H46O42 | 0.9 | 220.4 | Ellagitanin | [52] |
| AD | M593T520 | 8.66 | / | 593.1591 [M − H]2− |
C60H50O26 | −1.6 | 24.7 | Proanthocyanidin (Cat-Cat-GalCat-GalCat) | [53] |
| AD | M343T637 | 10.61 | / | 343.0460 | C17H11O8 | 0.3 | 4.8 | Galloylquinic acid isomer | |
| AD | M289T405 | 6.74 | 291.086 | 289.0716 | C15H14O6 | 1.6 | 11.4 | (epi)catechin | [54] |