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. 2021 Apr 21;11:8576. doi: 10.1038/s41598-021-87886-5

Table 1.

Putative identities of the metabolites discriminating mycorrhizal (myc) roots from non-inoculated (cont) roots analyzed by FT-ICR.

Neutral mass (Da) Putative compound identity Major class Secondary class VIP Score* Log2 (FC) myc vs cont
436.25858 LPA (0:0/18:1(9Z)) Lipids Glycerophospholipids 1.044 − 2.426
424.29647 LPA (18:0e/0:0) Lipids Glycerophospholipids 1.024 2.100
246.05016 Glycerophosphoglycerol Lipids Glycerophospholipids 1.143 2.998
369.32455 N-stearoyl GABA#N-palmitoyl isoleucine#N-palmitoyl leucine Lipids Fatty amides 1.007 − 2.169
341.29252 Stearoylglycine#N-palmitoyl GABA Lipids Fatty amides 1.086 2.402
283.28694 Octadecanamide Lipids Fatty amides 1.038 − 2.225
383.34046 N-stearoyl valine Lipids Fatty amides 1.004 2.534
281.27209 Oleamide Lipids Fatty amides 1.070 − 2.589
248.17698 16:4(4Z,7Z,10Z,13Z) Lipids Fatty acids 1.469 2.729
340.33514 Docosanoic acid Lipids Fatty acids 1.121 2.742
270.25520 Palmitic acid methyl ester#Margaric acid#( +)-14-methyl palmitic acid#15-methyl palmitic acid Lipids Fatty acids 1.092 2.454
284.27080 Octadecanoic acid (Stearic acid)#( +)-Isostearic acid Lipids Fatty acids 1.047 2.229
200.17793 Dodecanoic acid Lipids Fatty acids 1.016 − 2.174
298.28656 Nonadecanoic acid#16-methyl-octadecanoic acid#17-methyl-octadecanoic acid#11-methyl-octadecanoic acid Lipids Fatty acids 1.023 − 2.121
256.23960 Hexadecanoic acid (palmitic acid)#Isopalmitic acid#13-methyl-pentadecanoic acid Lipids Fatty acids 1.006 − 2.138
356.32887 13-Hydroxydocosanoic acid#2-Hydroxydocosanoic acid#22-Hydroxydocosanoic acid Lipids Fatty acids 1.058 − 2.386
384.32363 Tricosanedioic acid Lipids Fatty acids 1.449 − 2.549
286.21400 Hexadecanedioic acid Lipids Fatty acids 1.019 − 2.193
242.18749 3-oxo-tetradecanoic acid#6-oxo-tetradecanoic acid Lipids Fatty acids 1.040 − 2.396
128.05880 gamma-Amino-gamma-cyanobutanoate#alpha-Amino-gamma-cyanobutanoate Lipids Fatty acids 1.007 − 2.133
358.30764 MG(18:0/0:0/0:0)#MG(0:0/18:0/0:0) Lipids Monoacylglycerols 1.764 − 4.584
358.30797 MG(0:0/18:0/0:0)# MG(18:0/0:0/0:0) Lipids Monoacylglycerols 1.403 − 2.454
330.27638 MG(0:0/16:0/0:0)#MG(16:0/0:0/0:0) Lipids Monoacylglycerols 1.012 − 2.050
302.24490 MG(0:0/14:0/0:0)#MG(14:0/0:0/0:0) Lipids Monoacylglycerols 1.129 − 1.435
250.11981 Methylripariochromene A#Ubiquinone Q1 Lipids Prenol lipids 1.032 − 2.330
347.07876 Hydroxysanguinarine Phytochemical compounds Alkaloids 1.549 3.145
354.23015 Aspidospermine Phytochemical compounds Alkaloids 1.519 − 2.863
315.14751 3′-Hydroxy-N-methyl-(S)-coclaurine#(R)-Norreticuline#(S)-Norreticuline#Cephalotaxine Phytochemical compounds Alkaloids 1.459 − 2.540
305.16269 (6S)-Hydroxyhyoscyamine#Porritoxin#Lunacridine#Anisodamine#Convolamine Phytochemical compounds Alkaloids 1.129 2.960
240.14751 Slaframine Phytochemical compounds Alkaloids 1.054 2.165
398.22030 Desacetoxyvindoline#Mitragynine Phytochemical compounds Alkaloids 1.008 − 2.177
385.15301 Polycarpine Phytochemical compounds 1.010 2.028
430.21168 Cinegalline Phytochemical compounds Alkaloids 1.089 − 2.675
287.24570 Prosopinine Lipids Alkaloids 1.040 − 2.240
267.13732 Ergine Phytochemical compounds Alkaloids 1.007 − 2.028
332.07468 1-O-Galloyl-beta-D-glucose Phytochemical compounds Phenolic compounds 1.201 − 4.247
302.00659 Ellagic acid Phytochemical compounds Phenolic compounds 1.099 − 1.782
310.15629 Dihydrocordoin Phytochemical compounds Flavonoids 1.066 2.362
298.08401 Apigenin 7,4′-dimethyl ether#Afrormosin#Sayanedine#Sayanedine#Cladrin#Afrormosin#Alfalone#8-O-Methylretusin#5-O-Methylbiochanin A#Pterocarpin#Kuhlmannin#4′-Hydroxy-5,7-dimethoxy-4-phenylcoumarin#Tithonine#7-Hydroxy-3′,4′-dimethoxyflavone#5-Hydroxy-6,2′-dimethoxyflavone#5-Hydroxy-7,2′-dimethoxyflavone#Syzalterin#8-Demethylsideroxylin#Apigenin 7,4′-dimethyl ether#Baicalein 5,6-dimethyl ether#Mosloflavone#7-Hydroxy-5,8-Dimethoxyflavone#7-O-Methylwogonin#5,7-Dihydroxy-3-methoxy-8-methylflavone#3,5-Dihydroxy-7-methoxy-8-methylflavone#3,5,7-Trihydroxy-6,8-dimethylflavone#3,7-Dimethoxy-5-hydroxyflavone#Galangin 5,7-dimethyl ether#Isoneobavachalcone#Neobavachalcone#Lawinal Phytochemical compounds Flavonoids 1.012 2.034
472.20845 Bryophyllin A Phytochemical compounds Terpenoids 1.019 2.663
558.28118 Rhodexin A Phytochemical compounds Terpenoids 1.009 1.925
410.41212 (S)-2,3-Epoxysqualene#LanosterolCycloartenol#Obtusifoliol#Cycloeucalenol#alpha-Amyrin#beta-Amyrin#Euphol#Friedelin#Lupeol#Taraxasterol#Taraxerol#24-Ethylidene lophenol#Fernenol#Isoarborinol#( +)-Tirucallol Lipids#Phytochemical compounds Terpenoids 1.076 2.663
228.13565 Traumatic acid Phytochemical compounds Oxylipins 1.008 2.019
172.11006 9-Oxononanoic acid Phytochemical compounds Oxylipins 1.414 2.422
388.17218 Tuberonic acid glucoside Phytochemical compounds Oxylipins 1.015 − 2.071
208.04069 2-(2′-Methylthio)ethylmalic acid#3-(2′-Methylthio)ethylmalic acid Phytochemical compounds Glucosinolates 1.489 2.826
339.10701 Vulgaxanthin-I Phytochemical compounds Amino acid related compounds 1.012 − 2.052
180.06392 D-Glucose#alpha-D-Glucose#beta-D-Glucose#beta-D-Glucoside#D-Fructose#L-Fructose#beta-D-Fructose#Galactose#D-Galactose#L-Galactose#alpha-D-Galactose#myo-Inositol#scyllo-Inositol#D-Mannose#L-Sorbose#D-Sorbose#D-Tagatose#D-Allose#L-Fuconate#L-Rhamnonate#D-Altrose#D-Gulose#D-Idose#D-Talose#D-Psicose#L-Gulose#Scyllitol Carbohydrates Monosaccharides 1.375 − 2.362
179.07992 D-Glucosamine#beta-D-Glucosamine Carbohydrates Monosaccharides 1.028 2.169
262.04583 Sorbitol 6-phosphate Carbohydrates 1.298 − 2.344
307.09057 S-Succinyldihydrolipoamide-E Carbohydrates 1.015 2.568
290.03955 Sedoheptulose 7-phosphate Carbohydrates 1.039 1.346
348.04570 2-(alpha-D-Mannosyl)-3-phosphoglycerate Carbohydrates 1.034 − 2.198
342.11615 Sucrose#Cellobiose#Maltose#Lactose#Isomaltose#Trehalose#Galactinol#Nigerose#Mannobiose#Palatinose#Laminaribiose#Melibiose#Turanose Carbohydrates Oligosaccharides 1.012 − 2.053
260.03017 D-Fructose 6-phosphate#D-Fructose 1-phosphate#beta-D-Fructose 2-phosphate#beta-D-Fructose 6-phosphate#D-Glucose 6-phosphate#D-Glucose 1-phosphate#beta-D-Glucose 1-phosphate#alpha-D-Glucose 6-phosphate#beta-D-Glucose 6-phosphate#D-Mannose 6-phosphate#D-Mannose 1-phosphate#D-Galactose 6-phosphate#alpha-D-Galactose 1-phosphate#D-Galactose 1-phosphate#L-Galactose 1-phosphate#L-Galactose 1-phosphate#Inositol 1-phosphate#myo-Inositol 4-phosphate#1D-myo-Inositol 3-phosphate#D-Myo-inositol 4-phosphate#D-arabino-3-Hexulose 6-phosphate#L-Gulose 1-phosphate#Dolichyl phosphate D-mannose#D-Tagatose 6-phosphate#Sorbose 1-phosphate#D-Allose 6-phosphate Carbohydrates 1.010 − 1.679
196.03657 3-(3,4-Dihydroxyphenyl) pyruvate Amino acids 1.061 − 2.413
110.04826 Imidazole-4-acetaldehyde Amino acids 1.026 − 2.254
288.05985 Dihydrouracil Nucleic acids 1.049 − 2.433
308.04092 Uridine monophosphate#Pseudouridine 5′-phosphate#Uridine 3′-monophosphate#Orotidine Nucleic acids Nucleotides 1.040 − 2.335
114.04325 Deoxyuridine monophosphate Nucleic acids Nucleotides 1.018 − 2.088
168.09029 Pyridoxamine Vitamins and Cofactors Vitamins 1.005 2.004

*VIP > 1 indicates important features discriminating Myc from Cont treatments.