Table 2.
Category of Metabolites | Kegg ID | Metabolite | Ionization Mode | Molecular Formula | p-Value | VIP a | Fold Change b |
---|---|---|---|---|---|---|---|
Amino acids and Amines | C00064 | l-Glutamine | Q-TOF (+)/(−) | C5H10N2O3 | 0.00 | 1.71 | 2.42 ↑ |
C00148 | l-Proline | Q-TOF (−) | C5H9NO2 | 0.00 | 1.68 | 2.28 ↑ | |
C00152 | l-Asparagine | Q-TOF (+)/(−) | C4H8N2O3 | 0.00 | 2.05 | 3.26 ↑ | |
C00188 | l-Threonine | Q-TOF (+) | C4H9NO3 | 0.00 | 1.73 | 2.05 ↑ | |
C00263 | l-homoserine | Q-TOF (−) | C4H9NO3 | 0.00 | 1.58 | 2.01 ↑ | |
C00449 | l-Saccharopine | Q-TOF (+)/(−) | C11H20N2O6 | 0.00 | 1.73 | 2.93 ↑ | |
C01152 | 3-Methylhistidine | Q-TOF (+) | C7H11N3O2 | 0.00 | 2.65 | 6.78 ↑ | |
C01879 | l-Pyroglutamic acid | Q-TOF (+)/(−) | C5H7NO3 | 0.00 | 1.59 | 2.34 ↑ | |
C05282 | gamma-l-Glutamyl-l-glutamic acid | Q-TOF (+) | C10H16N2O7 | 0.00 | 1.49 | 2.06 ↑ | |
C06772 | Diethanolamine | Q-TOF (+) | C4H11NO2 | 0.00 | 1.98 | 2.47 ↑ | |
Carbohydrate and polyols | C00159 | d-Mannose | Q-TOF (+) | C6H12O6 | 0.00 | 2.14 | 3.22 ↑ |
C00474 | Ribitol | Q-TOF (−) | C5H12O5 | 0.00 | 1.53 | 2.08 ↓ | |
C00476 | d-Lyxose | Q-TOF (−) | C5H10O5 | 0.00 | 2.02 | 3.62 ↑ | |
C00860 | l-Histidinol | Q-TOF (+) | C6H11N3O | 0.00 | 1.46 | 2.22 ↑ | |
C01019 | l-Fucose | Q-TOF (+) | C6H12O5 | 0.02 | 1.11 | 2.06 ↑ | |
C01083 | Trehalose | Q-TOF (+) | C12H22O11 | 0.00 | 1.40 | 2.17 ↓ | |
C01613 | Stachyose | Q-TOF (+)/(−) | C24H42O21 | 0.00 | 1.50 | 3.13 ↓ | |
C05235 | Hydroxyacetone | Q-TOF (−) | C3H6O2 | 0.00 | 2.38 | 3.70 ↓ | |
Organic acids | C00296 | Quinate | Q-TOF (−) | C7H12O6 | 0.00 | 1.85 | 3.77 ↑ |
C00493 | Shikimic acid | Q-TOF (−) | C7H10O5 | 0.00 | 1.43 | 2.06 ↑ | |
C00499 | Allantoate/Allantoic acid | Q-TOF (−) | C4H8N4O4 | 0.00 | 2.25 | 4.07 ↑ | |
C00847 | 4-Pyridoxic acid | Q-TOF (+) | C8H9NO4 | 0.01 | 1.30 | 2.22 ↓ | |
C00852 | Chlorogenic acid | Q-TOF (−) | C16H18O9 | 0.00 | 2.31 | 4 ↓ | |
C01035 | 4-Guanidinobutyric acid | Q-TOF (+) | C5H11N3O2 | 0.00 | 2.40 | 3.55 ↑ | |
C01234 | Cyclopropanecarboxylic acid | Q-TOF (+) | C4H7NO2 | 0.00 | 1.23 | 2.01 ↑ | |
C02835 | Imidazoleacetic acid | Q-TOF (+) | C5H6N2O2 | 0.00 | 1.95 | 2.77 ↑ | |
C06104 | Adipic acid | Q-TOF (+) | C6H10O4 | 0.00 | 1.72 | 2.13 ↓ | |
C12621 | trans-3-Hydroxycinnamic acid | Q-TOF (+) | C9H8O3 | 0.00 | 1.77 | 2.14 ↑ | |
C00815 | Citramalic acid | Q-TOF (+) | C5H8O5 | 0.00 | 1.31 | 2.63 ↑ | |
Fatty acids | C00249 | Palmitic acid | Q-TOF (−) | C16H32O2 | 0.00 | 2.28 | 4 ↓ |
C08367 | trans-Vaccenic acid | Q-TOF (+) | C18H34O2 | 0.00 | 1.66 | 2.38 ↓ | |
Flavonoids | C09789 | Naringin | Q-TOF (−) | C27H32O14 | 0.00 | 1.41 | 2.08 ↑ |
C10084 | Quercetin 3′-methyl ether | Q-TOF (+) | C16H12O7 | 0.00 | 3.07 | 16.67 ↓ | |
C10107 | Myricetin | Q-TOF (+) | C15H10O8 | 0.00 | 1.59 | 2.04 ↓ | |
C10521 | Prunetin | Q-TOF (+) | C16H12O5 | 0.00 | 1.88 | 3.04 ↑ | |
C12249 | Astragalin | Q-TOF (+) | C21H20O11 | 0.00 | 1.64 | 2.56 ↓ | |
C12627 | Apigenin 7-O-neohesperidoside | Q-TOF (+) | C27H30O14 | 0.00 | 2.74 | 9.26 ↑ | |
C14536 | Glycitein | Q-TOF (+)/(−) | C16H12O5 | 0.00 | 1.70 | 2.53 ↑ | |
C00858 | Formononetin | Q-TOF (+) | C16H12O4 | 0.00 | 1.87 | 2.64 ↑ | |
Steroids | C01780 | Aldosterone | Q-TOF (+) | C21H28O5 | 0.00 | 1.52 | 2.3 ↑ |
C05122 | Taurocholate | Q-TOF (−) | C26H45NO7S | 0.00 | 1.75 | 2.47 ↑ | |
Nucleic acids | C00147 | Adenine | Q-TOF (−) | C5H5N5 | 0.00 | 1.77 | 2.63 ↓ |
C00212 | Adenosine | Q-TOF (+) | C10H13N5O4 | 0.00 | 1.63 | 2.13 ↑ | |
C00387 | Guanosine | Q-TOF (+)/(−) | C10H13N5O5 | 0.00 | 2.03 | 2.73 ↑ | |
C00526 | 2′-Deoxyuridine | Q-TOF (−) | C9H12N2O5 | 0.00 | 2.13 | 3.66 ↑ | |
C00455 | Nicotinamide ribotide | Q-TOF (−) | C11H15N2O8P | 0.00 | 1.88 | 2.64 ↑ | |
Phytohormones | C00805 | Salicylic acid | Q-TOF (+) | C7H6O3 | 0.00 | 1.90 | 2.79 ↑ |
C06082 | (+)-Abscisic acid | Q-TOF (−) | C15H20O4 | 0.00 | 1.29 | 2.07 ↑ | |
Others | C00258 | Glyceric acid | Q-TOF (−) | C3H6O4 | 0.00 | 1.59 | 2.22 ↓ |
C00279 | D-Erythrose 4-phosphate | Q-TOF (+) | C4H9O7P | 0.00 | 1.33 | 2.08 ↓ | |
C00670 | Glycerophosphocholine | Q-TOF (+) | C8H21NO6P | 0.00 | 1.83 | 2.3 ↑ | |
C00741 | Diacetyl | Q-TOF (+) | C4H6O2 | 0.00 | 1.36 | 2.44 ↑ | |
C00755 | Vanillin | Q-TOF (−) | C8H8O3 | 0.00 | 1.83 | 2.57 ↑ | |
C01551 | Allantoin | Q-TOF (−) | C4H6N4O3 | 0.00 | 2.68 | 8.15 ↑ | |
C03068 | 3-Hydroxyhexobarbital | Q-TOF (+) | C12H16N2O4 | 0.00 | 1.64 | 2.32 ↓ | |
C03710 | N-Benzyloxycarbonylglycine | Q-TOF (+) | C10H11NO4 | 0.00 | 1.60 | 2.74 ↑ | |
C04051 | 5-Amino-4-carbamoylimidazole | Q-TOF (−) | C4H6N4O | 0.00 | 1.60 | 2.24 ↑ | |
C07042 | Hydromorphone | Q-TOF (+) | C17H19NO3 | 0.00 | 2.97 | 14.28 ↓ | |
C07414 | Pargyline | Q-TOF (+) | C11H13N | 0.00 | 1.63 | 2.86 ↑ | |
C07537 | Ethylmorphine | Q-TOF (+) | C19H23NO3 | 0.00 | 3.06 | 14.29 ↓ | |
C08313 | 3-Methylindole | Q-TOF (+) | C9H9N | 0.00 | 1.78 | 2.09 ↑ | |
C11263 | 6-Benzylaminopurine | Q-TOF (+) | C12H11N5 | 0.00 | 2.61 | 5.64 ↑ |
a VIP, variable importance in relation to project. b Relative metabolite level of non-AM Puccinellia tenuiflora leaves treated with NaHCO3 in comparison with the control (↑, increase, ↓, decrease).