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. 2022 Sep 30;11(19):2582. doi: 10.3390/plants11192582

Table 3.

Examples of metabolites putatively identified from litter extracts of Q. ilex 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 M615T468 7.8 617.114 615.0987 C28H23O16 0.9 9.1 Quercetin-3-O-(6″-O-galloyl)-b-D-glucopyranoside [44]
AD M629T496 8.26 631.129 629.1144 C29H25O16 1.1 28 Isorhamnetin 3-(6″-galloylglucoside) [44]
AD M340T388
(isotope)
6.47 341.086 339.0717 C15H15O9 1.5 2.3 Aesculin [45]
ND M387T49 0.81 / 387.1143
[M + HCOO]
C13H23O13 0.5 11 Disaccharide
341.1086 C12H21O11
0.9 13.8
AD M330T66
(isotope)
1.09 / 331.0671 C13H15O10 −0.5 21.6 galloyl-β-D-glucose [44]
AD M399T407 6.78 355.101 399.0934 C16H17O9 −3.9 NA Chlorogenic acid [46]
[47]
[48]
353.0875 C17H19O1 −3.3 23.0