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. 2021 Sep 14;11:18271. doi: 10.1038/s41598-021-97835-x

Table 1.

The most affected metabolic pathways in drought stress and metabolites associated.

Pathway m/z Retention time (min) Adduct Error (ppm) KEGG compound Compound name Molecular formula
Starch and sucrose metabolism 343.1232 1.6 M + H 0.000240566 C00185 Cellobiose C12H22O11
219.0263 1.0 M + K 0.000148933 C00095 or C00031 d-Fructose or d-glucose C6H12O6
505.1755 1.6 M + H 0.000743043 C00721 Dextrin (C12H20O10)n
210.0337 7.7 M − 2H[2−] 0.000264633 C16688 Sucrose 6-phosphate C12H23O14P
503.1619 1.6 M − H 0.000140291 C00721 Dextrin (C12H20O10)n
Glyoxylate and dicarboxylate metabolism 175.0232 2.6 M + H 0.000531391 C00417 cis-Aconitic acid C6H6O6
135.0284 1.4 M + H 0.000341869 C00149 Malic acid C4H6O5
148.0606 0.9 M + H 0.000150252 C00025 l-Glutamic acid C5H9NO4
129.0179 2.6 M − H2O + H 0.000333869 C00026 Oxoglutaric acid C5H6O5
119.0333 1.0 M + H 0.000546247 C00042 Succinic acid C4H6O4
Alanine, aspartate and glutamate metabolism 129.0179 2.6 M − NH3 + H 0.000418284 C00940 2-Oxoglutaramic acid C5H7NO4
117.0177 0.7 M + H 0.000538683 C00122 Fumaric acid C4H4O4
146.0809 1.0 M − HCOOK + H 0.000166122 C03090 5-Phosphoribosylamine C5H12NO7P
325.0928 7.5 M + Cl[−] 0.001288772 C03406 l-Arginosuccinic acid C10H18N4O6
128.0352 0.9 M + ACN − H 8.38E-05 C00022 Pyruvate C3H4O3
Arginine and proline metabolism 146.1648 0.6 M + H 0.00030209 C00315 Spermidine C7H19N3
148.0606 0.9 M + H 0.000150252 C05938 l-4-Hydroxyglutamate semialdehyde C5H9NO4
102.0544 0.9 M − CO + H 0.000409762 C04281 l-1-Pyrroline-3-hydroxy-5-carboxylate C5H7NO3
146.0809 1.0 M + H 0.00022109 C02946 4-Acetamidobutanoate C6H11NO3
119.0333 1.0 M − CO2 + H 0.000575491 C05946 d-4-Hydroxy-2-oxoglutarate C5H6O6
Glutathione metabolism 657.1498 8.3 M + HCOO 0.000240802 C00127 Glutathione disulfide C20H32N6O12S2
128.0352 0.9 M − H2O − H 5.26E − 05 C00025 l-Glutamic acid C5H9NO4
Glycine, serine and threonine metabolism 146.0461 0.9 M + ACN-H 0.000182687 C00258 Glyceric acid C3H6O4
233.9926 0.9 M + Cl 0.000842469 C01102 O-Phospho-l-homoserine C4H10NO6P