Table 1.
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.