Metabolite_name RefMet_name 11 17 24 25 26 31 36 43 7 SRT14 2RT13 2RT14 2RT15 3RT25 3RT39 41 SD1 SD2 SD4 STRL2 Factors - Genotype:HIP Genotype:HIP Genotype:HIP Genotype:HIP Genotype:HIP Genotype:HIP Genotype:HIP Genotype:HIP Genotype:HIP Genotype:HIP Genotype:WT Genotype:WT Genotype:WT Genotype:WT Genotype:WT Genotype:WT Genotype:WT Genotype:WT Genotype:WT Genotype:WT 1_5-Anhydroglucitol 1,5-Anhydrosorbitol 23.4200 22.3200 21.7100 22.5900 22.7600 22.7800 23.0300 22.4100 21.6000 19.6100 21.8600 19.9200 20.4200 20.8200 21.8800 20.9600 21.2200 20.5700 21.3100 20.1600 1-Methyltryptophan 1-Methyltryptophan 15.9600 15.6000 14.9300 13.2200 17 15.5600 17.4800 12.6200 13.7200 14.6800 15.3100 14.1900 17.3000 15.4500 2_7-Anhydrosedoheptulose 27.8800 26.1300 26.0400 26.5800 27.8900 27.5100 27.8700 27.7400 26.5400 27.2400 25.4400 24.7300 24.1900 24.8900 25.3700 26.7900 24.1300 26.5000 26.8100 25.3600 2-Aminobutanoic acid 2-Aminobutyric acid 15.5400 15.0600 14.3400 13.9500 16.7100 15.1000 16.1100 16.3800 14.8300 14.6200 14.2000 14.4000 14.2600 15.5000 14.0300 14.6400 14.6100 13.4700 2-Aminopimelic acid 17.0900 16.0200 14.8500 16.2600 16.7200 17.2000 16.1900 16.2700 16.8800 16.3700 15.7800 16.6100 16.4600 15.6100 2-Hydroxybiphenyl 16.0500 15.7600 16.6900 17.2000 17.3900 17.2300 17.2200 17.8700 18.2200 18.3300 18 17.7300 18.5500 17.6200 16.5900 17.9600 2-Hydroxybutyric acid 2-Hydroxybutyric acid 19.4200 16.9500 19.1000 17.2200 18.5300 20.1900 18.8300 18.4000 18.3600 17.1300 19.4200 17.5000 18.1900 18.8200 15.9200 16.0900 14.8600 15.0500 16.9400 15.6500 2-Hydroxypyridine 2-Hydroxypyridine 15.6400 15.3500 15.7200 15.3300 14.7800 14.9300 15.4900 16.1800 14.9000 16.2400 15.0300 15.0100 15.2000 15.5400 15.2000 14.9400 15.5000 15.1500 16.2100 15.9700 2-Isopropylmalic acid 2-Isopropylmalic acid 19.9800 19.8500 18.3800 19.7000 19.7100 19.6800 20.2000 19.1600 19.1100 20.5300 19.0200 19.5800 19.1300 18.9300 20.3000 19.5800 19.4500 20.1700 19.6900 2-Ketoleucine/ketoisoleucine 16.4000 15.2600 15.1500 15.5600 17.4000 14.7300 16.1200 16.1700 15.6000 16.9900 16.9200 17.5600 17.5500 14.6000 16.8800 13.2700 14.2700 16.1100 16.5400 2-Ketovaline 14.7500 14.4700 15.0100 15.4500 15.3100 15.5700 13.1300 15.1700 14.8300 15.5100 15.9700 13.9400 15.1100 14.5500 13.7200 3-(3-Hydroxyphenyl)propionic acid 3-(3-Hydroxyphenyl)propanoic acid 15.3300 13.4700 16.2000 3-Indolelactic acid 14.5400 14.2700 15.4000 11.9900 12.0400 3-Ureidopropionate Ureidopropionic acid 16.2400 16.4900 16.2000 5-alpha-Coprostanol or similar oxysterol 14.9400 17.6400 17.0200 15.9300 16.3800 16.8100 16.4400 17.0800 16.8700 16.3300 16.9600 5-Aminovaleric acid 5-Aminopentanoic acid 13.8500 14.7400 14.0700 5-Hydroxylysine 5-Hydroxylysine 16.9700 17.9400 17.5700 17.1900 16.9900 18.2800 17.4800 17.2900 17.8300 16.6400 14.2800 17.3800 17.4800 18.2100 17.0700 16.2100 16.9200 16.5400 6-Deoxyhexose 16.0900 15.5900 15.8200 15.7200 16.3200 16.6900 16.8900 15.7100 15.6800 14.9900 16.3300 15.6200 16.2500 15.4700 16.4300 15.3700 15.4000 15.7700 Acetoacetate Acetoacetic acid 18.9100 17.7000 15.5600 18.0500 18.4400 15.9900 18.9100 20.2400 16.0100 16.1100 16.6200 15.2700 16.8900 14.7400 Aconitic acid cis-Aconitic acid 13.8100 14.0300 15.0600 10.9600 Alanine Alanine 22.9200 22.0300 21.3700 20.7700 22.4500 23.1100 22.8700 22.7300 21.8600 21.3600 21.3500 21.3800 21.9100 21.9500 22.6300 23.8800 22.4900 22.5100 21.3600 21.8600 Aldopentoses 16.3700 14.9000 16.1900 15.4500 16.3200 16.7700 16.5000 15.6200 15.3500 14.9000 15.5000 15.3300 15.4300 15.6400 15.2700 13.9900 15.1300 17.0700 Allantoin Allantoin 17.7700 16.9300 17.8400 17.3500 18.2600 20.5200 18.1500 18.1400 17.0100 16.1900 18.9300 16.8800 17.4200 17.9400 15.9300 17.3100 17.3700 alpha Ketoglutaric acid 2-Oxoglutaric acid 16.7500 15.7200 18.6500 17.0200 18.8400 18.4800 19.0700 15.5200 17.7000 16.1500 19.4200 20.1100 19.2900 19.2700 16.9600 17.3700 16.9600 16.1100 17.3400 17.8100 alpha-Monopalmitin MG 16:0/0:0/0:0 21.6700 21.5900 21.6000 21.4900 21.4900 21.6300 21.6100 21.4400 22.7100 21.6400 21.3300 21.3000 21.8300 21.7800 21.4600 21.6900 21.5700 21.6700 21.1600 21.7700 alpha-Monostearin MG 18:0/0:0/0:0 24.3800 24.2700 24.1600 24.1100 24.2200 24.1200 24.2700 24.1700 24.4600 24.2800 24.1200 24.1500 24.5300 24.4200 24.2200 24.2100 24.0600 24.2100 23.9600 24.2500 alpha-Tocopherol alpha-Tocopherol 18.2700 17 18.2700 17.7000 18.3600 18.6700 18.3800 18.3700 19.5500 17.6500 18.2200 17.1700 19.2200 17.4700 17.8600 17.5000 18 17.9000 18.8200 19.6800 Aminomalonic acid Aminomalonic acid 20.6800 18.7700 17.2800 19.1900 18.4600 20.0200 19.0300 19.3700 18.0900 17.7400 19.8400 19.0700 19.6100 18.5200 18.7600 20.0400 19.0400 18.8600 20.2400 19.1100 Arachidic acid Arachidic acid 15.5000 14.6400 16.2700 16.3700 15.8500 15.5400 16.5900 15.7100 17.3700 15.2800 14.7600 14.6100 15.0600 16.0800 16.1900 15.9900 16.2700 15.9600 16.0800 Arachidonic acid (also Eicosapentaenoic acid) Arachidonic acid 22.2800 21.2200 22.0500 22.6000 21.4900 21.9300 22.1900 22.4200 22.9700 22.6100 22.0900 21.9700 22.6700 22.3100 22.2700 22.7700 22.4300 22.4000 22.6800 22.7300 Arginine Arginine 14.8600 13.5400 15.1800 14.6100 14.8300 14.5000 15.5300 13.9300 14.9000 14.2700 13.7100 14.0600 14.3000 15.3400 14.6600 13.8800 14.8800 14.4700 Asparagine Asparagine 19.1900 18.4100 18.6500 17.5200 19.4000 18.7700 18.9400 19.5500 17.7000 17.9800 17.9200 18.2100 19.0300 18.5300 17.6800 19.4900 19.0700 17.9100 18.0400 18.7400 Aspartic acid Aspartic acid 21.4300 21.2200 20.6900 20.5900 20.1900 21.8800 20.3900 21.3300 20.9000 21.6300 17.8100 19.2800 17.7400 21.2000 21.2200 21.5500 20 21.0800 21.1200 18.9500 Benzoic acid Benzoic acid 21.6200 20.0400 14.2600 19.2000 20.4800 19.6500 15.8700 16.4100 16.1700 19.4900 16.8400 18.1400 16.4300 18.0400 14.8200 beta-Alanine beta-Alanine 13.0400 14.2600 10.9900 13.3300 12.9100 13.6600 13.8900 12.2600 13.1700 13.4300 14.7200 14.1500 13.7800 11.6400 12.6900 14.4400 12.7200 12.6600 14.3900 beta-Hydroxybutyric acid 3-Hydroxybutyric acid 26.2700 23.4400 23.0800 24.4400 22.7400 25.5700 24.4300 23.9000 24.9600 22.6700 23.6400 21.9700 23.1100 22.2800 22.1800 23.1200 21.1800 21.7700 24.2200 21.3300 beta-Monopalmitin MG 0:0/16:0/0:0 17.7900 17.6000 17.9100 17.6600 17.4100 17.5400 17.9300 17.8500 19 17.7800 17.3000 17.1500 17.8200 17.8500 17.8500 18.0200 17.8400 17.7900 17.3500 18.3200 beta-Monostearin MG 0:0/18:0/0:0 20.2300 20.0400 20.1800 19.9200 20.1200 20.1100 20.2600 20.0700 20.4100 19.9500 19.9100 20.0500 20.3800 20.2000 19.9400 20.0700 19.9000 19.8200 20.0500 20.2900 beta-Sitosterol Sitosterol 19.6800 18.9700 20.0400 19.4700 20.0600 20.3200 19.3700 19.6200 20.6100 18.9900 19.4700 19.0400 19.8200 20.7800 19.5500 20.0500 20.6600 19.3300 19.3900 21.1600 Biuret Biuret 13.5100 13.8400 14.1400 12.3100 14.6400 15.7500 12.4700 13.3700 15.3800 14.7200 15.5400 13.6500 13.0300 C10 hydrocarbon 13.8600 14.6500 12.5200 13.5900 13.5000 14.4700 14.8900 14.9100 14.5100 14.0300 14.1100 14.6500 15.1600 14.1300 14.3400 12.8300 C11 hydrocarbon 14.9100 14.8900 14.0200 15.2300 14.7700 14.2300 15.2900 14.1800 13.6200 13.7300 14.0400 14.3300 13.8900 14.6700 C12 hydrocarbon 13.1700 13.1700 14.0600 13.9300 C13 hydrocarbon 16.4500 16.2400 16.2200 16.2600 16.5000 16.2400 15.8200 15.9100 16.0700 16.5200 16.6700 16.4100 16.6100 C15 hydrocarbon 14.8400 15.0700 15.3400 C17 hydrocarbon 17.0900 15.5500 16.3400 17.1200 13.3400 16.4900 16.2400 16.4100 16.4700 15.8000 16.7200 16.4400 Campesterol Campesterol 20.2100 19.2500 20.2200 19.8300 20.1600 20.5300 19.6600 20.2000 21.3000 19.2700 19.0500 18.8900 19.7200 20.5100 19.6100 20.0100 20.4500 19.5200 19.5800 21.0500 Chenodeoxycholic acid Chenodeoxycholic acid 18.9600 14.7700 18.7700 14.7600 Cholesterol Cholesterol 25.2500 24 24.4300 24.6900 24.5700 24.7600 24.5200 24.9700 26.2400 25.0100 24.8800 24.6200 25.2600 24.7800 24.7900 24.8400 25.3700 25.2400 25.2900 25.6400 Cholic acid or similar bile acid 17.4300 19.0200 20.6000 13.8900 20.3200 22.7600 20.5200 19.9700 20.3400 20.4600 17.6300 20.4200 17.6500 18.7800 Cinnamic acid trans-Cinnamic acid 17.7000 16.5000 17.1500 19.3000 17.3700 Citric acid/isocitric acid Citric acid/Isocitric acid 22.8900 22.2900 23.1700 22.1200 22.2000 22.7800 22.7500 22.2200 22.7900 21.9600 22.4900 22.1900 22.1800 22.2800 21.7200 21.6000 22.0300 21.6100 21.9400 22.1300 Creatinine/Cysteine 18.6400 16.8600 18.1800 17.0400 19.1800 18.1500 19.2300 17.9800 17.7200 17.4600 19.8300 20.5700 20.1800 18.7300 18.9700 18.9000 17.2500 18.0500 17.7700 18.0200 Cystine Cystine 16.8100 15.0500 15.7400 18.5500 17.8500 16.9700 16.1900 16 16.9200 16.9300 15.5500 13.7200 15.8600 17.5900 16.3000 17.4300 16.9000 Decanoic acid Capric acid 13.7600 14.6100 13.5700 12.2100 13.5700 13.6700 deuterated Myristic Acid (RTL std) 22.0500 21.2800 21.2100 21.7300 21.2500 21.9800 21.7000 22.0500 21.8200 21.9500 21.9200 21.7000 22.1300 21.9400 21.6700 22 21.7400 21.9800 22.1300 22.1300 Diethanolamine Diethanolamine 13.3000 16.4100 14.0100 15.2700 12.2800 14.3100 Dihydroxyacetone phosphate Dihydroxyacetone phosphate 14.2400 14.4100 14.9600 13.9600 15.1100 Dioctyl phthalate Dioctyl phthalate 14.4300 12.6100 14.1100 13.4100 13.6100 13.7400 13.5500 14.9800 14.5800 13.7400 13.6000 Disaccharide 15.9600 15.6000 15.5200 16.0100 16.2700 14.5600 16.9500 14.5900 16.5400 15.0100 13.6500 15.9100 14.2800 15.7900 17 14.5400 12.3700 Docosahexaenoic acid Docosahexaenoic acid 19.5100 18.4200 18.6700 20.5000 17.5900 18.8600 19.0500 19.8300 22.0300 20.1500 19.3000 18.8400 19.6500 19.0800 19.9100 20.3600 19.5500 20.2700 19.5000 18.7400 Docosanoic acid Behenic acid 14.6500 15.1300 12.6800 15.2600 13.4100 16.3400 10.8100 14.5800 14.2200 14.8500 14.9800 15.7900 11.9600 14.7400 Dopamine/5-Hydroxylysine 13.5800 12.2200 13.6400 14.9600 14.7700 12.4900 12.0100 EDTA Edetic acid 27.4700 26.5800 26.1900 26.3200 25.6500 26.8000 25.6400 26.7700 27.0200 27.1900 26.4000 27.5500 25.9500 26.4800 26.4500 26.7000 25.9000 27.0400 26.9800 26.5600 Erythronic acid Erythronic acid 16.6100 15.1200 15.9400 15.3500 17.3100 16.6300 15.7700 14.6200 15.6100 16.5100 16.1500 15.5000 16.2400 16.5000 Erythrose/Threose 15.3800 15.5600 16.9100 16.9500 15.5000 16.6600 15.6500 17.4300 16.7900 14.7800 15.6800 18.3400 17.3100 16.8900 Ethanolamine Ethanolamine 17.2900 16.0800 16.2500 16.4100 16.4600 17.0400 17.3600 16.7900 15.8400 15.8600 17.6000 16.8500 18.0700 16.6900 16.8800 17.3500 17.3400 17.1800 16.9200 16.7300 Flavanoid or short-chain cholesterol ester 17.2600 16.4400 16.4000 17.1700 16.4000 16.5200 16.7800 17.3700 17.9100 17.2400 17.4900 17.1100 17.4500 16.5100 16.5400 16.9000 17.4200 17.4000 17.0600 Fructose or similar ketohexose Ketohexose 18.7800 19.8800 19.5900 20.0400 19.6700 19.5700 20.5900 19.1800 19.4900 19.7300 17.9200 17.3900 18.7400 18.8700 18.8800 18.2000 19.4200 18.2700 17.8000 18.1900 Fucosterol Isofucosterol 15.2500 16.4800 16.5000 16.3700 15.2100 15.5200 17.1100 17.3200 15.4000 16.8000 17.3300 Fumaric acid Fumaric acid 15.3400 13.7200 14.8800 14.9800 16.9500 16.9800 15.4600 16.5900 14.8700 17.1000 16.7400 16.0900 16.1100 12.8900 15.8000 13.6500 15.8100 16.2200 14.5000 gamma-Hydroxybutyric acid/Ethylmalonic acid 25.5100 25.4500 26.0400 25.9600 25.6500 24.5000 25.7900 25.7300 25.8400 25.2400 24.0900 24.1600 25.4200 24.6900 25.5800 26.3000 25.0800 25.6500 25.9900 26.0500 gamma-Tocopherol gamma-Tocopherol 12.5900 12.0300 12.2500 14.3900 Gentisic acid Gentisic acid 22.1400 21.6500 19.5600 21.8800 20.9200 22.3800 23.1100 22.8500 21.8200 Gluconic acid or similar sugar acid 19.5300 17.5800 15.6300 19.1900 20.1800 19.4800 19.6100 17.5000 17.5300 17.1900 16.6900 16.7300 16.1600 14.1400 18.6600 17.8200 18.2500 17.2000 18.9300 16.8200 Glucose-6-phosphate or similar Hexose 6-phosphate 12.2100 13.7200 14.0900 15.1500 14.9800 15.2400 14.2600 14.0700 18 14.2400 15.5000 13.5400 13.3300 13.8400 Glucose and other aldohexoses 1 Hexose 27.8800 26.8300 27.6900 27.0300 27.8900 27.5100 27.8700 27.7400 27.1900 26.8400 27.2300 26.8200 27.3600 27.7800 27.7700 26.8800 26.8000 26.5000 27.7600 26.7800 Glucose and other aldohexoses 2 Hexose 27.8200 27.3100 27.0400 27.4800 27.7600 27.6100 27.7700 27.6100 27.2200 27.3600 26.1000 25.5300 25.0200 25.7800 26 27.4800 26.9700 26.8500 27.4100 26.1200 Glutamic acid Glutamic acid 21.3200 19.2000 21.2800 20.0600 22.5100 22.0200 21 20.2300 19.4000 19.9200 21.2900 21.4800 21.9000 20.9700 20.0100 20.8300 19.9800 20.4100 19.8300 20.4600 Glutamine Glutamine 22.9100 21.7400 22.2700 21.9700 22.7800 23.3600 22.7600 22.7500 22.1100 21.6100 22.3400 22.3900 22.8300 22.6200 22.5700 23.1300 23.1600 21.8300 22.3500 22.8300 Glutaric acid Glutaric acid 13.3000 13.8900 15.4700 14.8300 16 Glyceric acid Glyceric acid 17.4200 16.9500 15.6200 16.8400 17.1000 18.1900 16.6500 17.3500 16.7200 16.6200 15.8500 14.8300 17.1800 15.4100 17.6400 18.3900 19.2900 17.3600 16.7700 17.3500 Glycerol Glycerol 21.3700 22.6200 23.6200 24.3600 22.6800 24.9900 22.0800 26.0100 24.9500 22.5000 21.7300 21.8200 23.5400 26.0700 24.5900 25.6400 25.6200 22.4100 22.1600 Glycerol 1-phosphate sn-Glycero-3-phosphate 18.6600 18.7600 18.4800 20.0300 18.1500 19.1400 18.9400 19.1300 18.1000 18.4800 18.1000 19.9300 18.8500 19.8500 15.5700 19.0300 19.9400 17.8600 18.0800 19.1200 Glycine Glycine 22.5100 21.8500 21.0300 21.5100 22.4500 22.1200 21.8300 22.0100 21.1100 21.2500 21.5000 21.3600 21.9300 21.5800 21.5600 22.4300 22 21.8200 21.5300 21.6400 Glycolic acid Glycolic acid 17.5000 16.8700 15.7800 15.5500 16.9800 16.7200 16.9300 16.0300 16.3600 16.5700 15.1300 15.6900 16.5100 17.3300 17.4300 16.4200 17 17.1600 16.3600 Glyoxylic acid Glyoxylic acid 15.3300 14.9500 14.0100 14.2600 14.3700 14.2900 13.8400 14.0800 13.8900 14.6800 15.8900 15.4500 14.2400 15.8000 13.7200 13.7900 Heptadecanoic acid/Octadecanol 17.6400 18.1900 18.1300 17.8400 17.2400 18.1300 18 19.5900 17.6100 17.5900 17.6100 17.5000 17.7800 17.9300 18.0500 17.4000 17.9300 Hexadecanol/Pentadecanoic acid 14.6300 14.7900 17.2800 14.1400 15.0200 15.8200 18.4800 16.6800 15.7600 16.3900 15.5200 17.1700 16.4600 17.3100 15.3600 16.4400 Hexitols 1 27.2800 26.8300 27.2800 27.0300 27.2100 27.3300 27.3700 27.2500 27.1900 26.8400 25.2000 24.7300 25.1900 25.9800 26.3100 26.8800 26.8000 26.3000 26.2600 25.8700 Hexitols 2 18.7900 18.1600 18.9400 18.9500 19.0200 18.1200 20.2700 18.2800 17.8300 18.5700 16.3900 15.4300 17.3900 17.5100 16.6600 15.5300 16.9600 18.0200 16.6900 16.2200 Hexuronic acid Hexuronic acid 16.1300 15.4600 16.1000 15.7700 17.5300 16.8100 16.7500 15.4900 15.8500 14.2900 14.8400 14.4100 14.7200 15.6500 15.0500 14.6500 16.1200 13.2000 14.4000 15.6600 Hippuric acid Hippuric acid 19.8000 20.2300 20.3200 21.2300 19.2100 20.8100 17.0700 Histidine Histidine 16.1600 16.0900 17.6600 14.4500 16.7700 Hydrocinnamic acid Hydrocinnamic acid 16.6000 17.1100 16.1000 15.7200 16.5900 18.0600 17.5100 16.9900 16.1100 16.6700 13.8600 15.7600 15.4400 17.3600 15.7300 16.6600 15.8900 16.7000 Hydroxyprolines 18.4700 17.6900 17.2000 16.7000 18.3900 18.2500 18.6700 19.4000 18.2600 17.2400 17.5400 17.3400 18.5100 17.1000 16.9500 18.1400 16.9200 17.2700 16.7800 17.0600 Indole-3-acetamide 1H-Indole-3-acetamide 16.8200 17.2300 19.0800 17.3800 19.8300 19.1700 19.3000 18.2000 16.1200 17.2800 16.6000 14.7700 17.2300 16.6700 17.1400 17.5600 Isoleucine Isoleucine 21.5300 20.4000 20.4100 19.8700 17.5900 21.7200 20.2400 21.5600 22 19.9700 20.3400 19.3500 20.1800 20.1900 17.2800 21.2700 20.0900 20.1900 19.7400 20.6000 Ketopentose-5-phosphate 13.1200 13.2200 13.7500 12.0800 Lactic acid Lactic acid 26.8200 25.3600 26.0200 25.3800 26.2700 26.2200 27.0800 25.7800 25.0300 24.6800 27.2300 26.7000 26.9500 26.2600 25.7000 25.7900 25.5700 25.7200 25.5500 24.9900 Lauric acid Lauric acid 14.9400 14.8400 13.8300 15.4600 16.5000 15.4700 13.7200 15.0200 15.4500 14.5400 15.8500 15.4500 15.5200 Leucine Leucine 21.7800 20.4200 20.7200 19.5800 18.5500 22.3000 20.4800 21.5400 21.8000 19.7000 20.1500 18.9700 19.7000 19.9000 17.8500 21.6600 19.9900 20.7100 19.2900 20.7000 Linoleic acid Linoleic acid 22.9700 23.3600 24.1700 24.5700 23.0500 22.5800 24.1200 23.8200 25.5700 23.4800 21.8300 21.4700 22.1300 23.0900 24.5100 24.7900 24.9400 24.6400 23.2200 24.0100 Lysine Lysine 21.5700 21.4000 20.3800 21.1800 21.3300 21.8000 21.3100 21.1200 21.1100 21.1400 21.8000 21.7600 22.1700 21.7700 21.9500 22.2000 22.2900 21.2500 21.8300 22.4600 Malic acid Malic acid 19.3800 17.8300 19.8900 17.3500 21.0400 19.9300 20.6000 17.8100 19.1300 18.3200 19.8700 19.7600 19.5800 18.8400 18.4200 18.8000 17.5500 18.6000 18.8000 18.2300 Malonic acid Malonic acid 16.8400 16.1600 16.7500 15.2000 15.8000 17.5800 16.3200 16.0600 16.8000 15.3600 16.3900 15.6300 16.0600 15.6400 17.0200 17.3800 Maltose or similar disaccharide Maltose 17.5400 18.4900 18.8500 19.5000 17.4000 16.4800 18.9100 18.6900 17.9800 18.4600 14.6800 16.7600 14.9300 16.2500 20.0300 17.4600 14.0900 Methionine Methionine 19.0200 18.3100 18.6500 17.5600 18.3000 18.8000 18.6900 19.8900 18.6700 18.1300 18.6000 18.4800 19.2100 19.0600 18.2000 19.5500 18.7000 18.5800 18.1400 19.0800 Methionine sulfoxide Methionine sulfoxide 14.5700 14.8800 15.2800 15.4600 16.0200 16.1300 16.0700 14.8000 13.5000 12.7100 13.5900 14.2700 14 14.3900 14.7400 14.0400 15.9500 Methyl linolenate 17.6100 17.8800 18.7300 18.4300 17.9400 18 18.3100 18.9400 19.8700 17.7200 15.6100 17.9100 18.5500 17.6400 17.7100 19.0300 17.0100 16.7400 19.4600 Methyl oleate Methyl oleate 14.5400 14.3800 15.1100 15.3900 14.9400 16.3100 17.7900 15.0800 15.1300 14.8800 13.7100 16.2300 15.8000 Methyl palmitate 18.0600 17.7300 18.2400 18.5200 17.7600 18.1000 17.8300 18.8200 19.1700 18.1200 16.8700 15.8000 18.8900 18.9600 17.7900 17.9300 18.5700 17.8700 17.9100 19.1900 Methyl stearate Methyl stearate 19.5500 19.4000 19.8700 20.0800 18.9300 20 19.4500 20.2300 20.5600 19.8700 17.9100 16.6000 20.1300 20.1100 19.4200 19.4800 20.4200 19.2100 19.8900 20.5400 MSTFA artifact 15.3700 16.5000 16.2400 15.7600 15.1300 14.2800 15.8300 16.8800 14.9100 16.6300 15.7800 15.6700 15.8600 17.1800 13.3700 15.8100 16.4200 15.9900 16.8100 16.9500 Myoinositol Myo-inositol 21.0900 20.7600 21.3100 21.3900 20.6900 21.1200 21.1900 21.2500 20.7700 20.5400 21.3200 22.0800 21.6500 20.4600 21.1900 19.8700 21.1100 20.8100 20.6100 20.8800 Myristic acid or Pentadecanol Myristic acid 17.5100 18.4500 17.8800 18.5000 17.6300 17.4600 18.0700 18.4800 20.4700 18.4300 19.9200 20.4200 20.8200 21.8700 20.9600 21.0900 20.5700 20.8200 20.1600 N-Acetylleucine N-Acetylleucine 14.6700 14.2200 13.0500 13.7400 13.5500 12.9800 13.4100 N-Acetylputrescine N-Acetylputrescine 15.4300 15.1400 15.6100 16.0700 15.4200 16.7100 15.5500 17.4000 16.7900 15.4100 16.1800 15.3700 15.8900 N-Acetyltryptophan N-Acetyl-tryptophan 11.7400 13.7200 13.6700 16.2100 13.5200 12.2000 12.7900 13.2500 15.3500 N-Acetyltyrosine N-Acetyltyrosine 12.7000 12.5400 12.5400 Nicotinamide Niacinamide 15.2200 15.6100 16.2900 N-Methylglutamic acid N-Methyl-glutamic acid 18.1200 17 14.4500 16.7700 14.0400 17.6700 16.3400 17.9600 17.0200 16.0800 17.6700 16.5100 16.7300 16.2500 16.7700 18.1500 16.0900 16.7200 17.3600 16.5700 Nonadecanoic acid Nonadecylic acid 16.6400 15.5200 16.4300 15.7900 15.1500 16.3200 16.5600 18.1800 15.6000 16 16.3100 15.3500 16.1300 15.8500 15.7100 17.2000 Nonanoic acid Pelargonic acid 14.5400 12.0900 14.7100 14.3200 12.6800 12.5900 Oleic acid Oleic acid 22.3100 22.4700 22.5600 23.5900 21.2300 20.9600 22.8100 23.3100 25.0400 22.9300 20.4400 21.0500 21.1500 21.7300 23.1300 23.8100 23.6900 23.9000 22.5600 22.4100 O-Phosphocolamine Phosphoethanolamine 15.1800 16.2600 16.8500 16.6400 15.9900 16.1000 13.9900 16.3100 15.0200 17.4000 17.6500 16.0200 14.6200 16.4300 17.7500 16.6300 16.3400 Ornithine Ornithine 19.9700 19.1400 19.9000 19.1300 20.1400 19.7400 19.4300 20.9200 19.4800 19.0300 19.9900 21.1700 20.6500 19.3700 18.9900 19.5800 20.1400 19.3800 18.1100 19.8900 Palmitic acid Palmitic acid 23.6100 23.4200 23.6300 24.2100 23.1000 22.9800 23.6500 24.1000 25.3700 23.9900 23.0800 23.0500 23.6300 23.6300 24.0800 24.2400 24.4700 24.2900 23.9200 24.1100 Palmitoleic acid Palmitoleic acid 14.4300 20.0300 18.9600 20.5600 19.1700 19.2000 20.1600 20.8800 21.1100 20.2800 20.1100 20.0800 Pentitols Arabitol 20.3000 17 17.1600 17.4000 19.7300 20.2000 19.5300 18.2300 17.9700 16.6600 17.1500 16.3600 15.5900 16.3300 16.4900 17.7900 17.7800 17.7800 17.6000 16.4300 Pentonic acids 14.3700 13.3800 14.0600 13.8400 14.4200 14.7600 13.4600 13.9600 13.4700 13.5600 12.7900 14 13.7000 Phenol Phenol 13.9300 13.5000 13.8500 Phenylalanine Phenylalanine 20.6700 19.2500 20.2100 19.3500 19.6000 20.8800 20.2600 20.5300 19.1000 19.4400 20.2700 20.0500 20.7600 20.5600 19.7100 20.8500 20.0100 19.8700 19.6700 20.4700 Phosphoric acid Phosphoric acid 25.7300 25.7600 24.8800 24.8700 25.4400 26.6800 24.9900 25.0300 25.7400 24.9500 25.1900 25.3200 25.2000 25.2800 26.0700 25.4400 25.6400 25.4000 25.5600 25.1300 Pinitol or similar methoxyinositol Pinitol 19.0400 19.3400 14.3200 Pipecolic acid Pipecolic acid 14.7500 13.4800 14.6600 13.1800 14.1400 13.9800 12.4600 14.5800 13.5300 14.9600 11.8700 15.1800 12.9600 13.5600 Proline Proline 21.3100 19.7900 20.1300 17.9000 18.7600 21.4300 20.8300 21.1800 20.4100 18.8000 19.3500 17.8400 19.0500 19.7900 17.8900 21.8600 19.6600 20.8500 17.7900 20.5200 Pyrophosphate Pyrophosphate 14 13.1600 13.2300 11.1900 11.5900 14.0200 13.6800 13.4700 13.1300 15.6100 12.8000 13.5600 15.2600 13.1100 12.9900 15.5100 13.8400 12.7100 Pyruvic acid Pyruvic acid 17.0200 16.4700 17.7800 17.6600 17.7600 18.4700 20.4200 17 19.4800 17.5900 21.7300 20.8000 20.1900 20.5300 17.8000 18.6700 18.0400 17.6800 17.5500 17.6900 Salicylic acid Salicylic acid 12.5400 13.5100 11.6400 16.2500 14.9100 14.2400 12.2100 15.2100 13.9800 Serine Serine 22.1800 21.7700 20.6000 21.0400 21.0700 22.4300 21.9300 22.4000 21.3900 21.6900 21.1100 20.8100 21.7700 21.4700 21.2100 23.4500 22 22.1400 21.7800 21.7800 Serotonin Serotonin 15.8000 16.9000 16.1300 16.8300 Squalene Squalene 14.1300 13.8700 18.3600 Stearamide Stearamide 13.8200 15.3000 16.3100 15.3300 Stearic acid Stearic acid 23.7400 23.3300 23.6700 23.6800 23.3900 23.3100 23.5900 23.7700 24.7000 23.7300 23.2800 23.1700 23.6200 23.6000 23.5000 23.4600 23.5100 23.3100 23.6900 23.7200 Succinic acid Succinic acid 18.5300 17.3400 19.0300 16.8700 21.6400 18.6900 20.4800 17.4800 18.7700 18.2600 19.0700 17.4300 18.7100 18.4000 18.2500 17.5200 17.2800 17.9400 17.5200 17.9600 Sucrose and similar disaccharides Hexose disaccharide 14.6700 13.4000 14.2900 16.0800 13.2100 12.5700 15 16.7500 14.5300 13.9700 16.5700 13.5200 12.1300 13.3100 14.6200 13.0900 Tetracosanoic acid Lignoceric acid 14.7000 12.5200 14.3200 15.7300 13.6100 13.8300 14.9100 16.5700 14.8600 14.3400 15.4100 14.7000 14 14.6600 15.1600 13.4700 15.7300 Threitol/erythritol 17.1600 16.1200 17.3600 15.8500 17.2200 17.8900 17.3000 16.6500 16.5300 15.7100 16.8200 16.5800 16.8700 17.0600 16.0200 16.6700 16.5700 16.0100 15.0500 16.3600 Threonic acid Threonic acid 17.8200 18.0900 18.4100 17.0400 18.8900 16.9000 17.5900 17.4500 17.5100 15.8800 17.8700 16.2700 18.9700 17.4300 17.0700 18.1800 18.1000 18.5300 Threonine Threonine 22.2400 21.8000 21.1500 20.8800 20.9700 22.6100 21.7800 22.5000 21.7500 21.4200 21.5200 21.4500 22.2000 22.1500 21.6900 23.5100 22.2600 22.1600 21.4200 22.3100 Trisaccharide Hexose trisaccharide 11.8400 16.0800 18.4100 15.3200 13.7700 16.6800 Tryptamine/Norepinephrine 16.5800 14.2200 13.4300 14.7200 14.4400 15.5500 15.1100 14.8500 17.3300 14.6400 16.2700 16.3500 17.1100 15.1200 16.7100 16.6600 15.5700 16.5000 16.3500 Tryptophan Tryptophan 19.5100 18.2800 18.4100 18.4000 19.7200 19.0400 19.6200 19.5700 20.7200 18.8000 20.7200 19.3200 18.5200 18.8700 19.4400 20.4600 20.5700 Tyrosine Tyrosine 20.3700 18.9900 20.1900 20.1600 19.6400 20.8200 20.7000 19.9700 18.4800 19.6900 20.7700 20.0700 20.6200 20.2200 20.0700 19.7800 20.3100 19.2700 20.1300 20.8600 Unknown-possibly propylene glycol 20.2400 17.8000 19.0700 17.6900 18.4700 20.2100 19.1200 19.3000 18.9600 17.7000 27.8300 28.4000 28.1000 18.7900 18.3600 18.5300 18.4700 18.3000 19.1500 18.5200 Uracil Uracil 16.5700 15.2000 15.1300 16.8900 16.6700 17.2100 15.4100 15.3700 16.5700 16.6000 15.9200 15.4600 15.0300 15.3900 14.9800 14.9600 14.5100 15.8100 Urea Urea 25.5100 25.4500 26.0400 25.9600 25.6500 24.5000 25.7900 25.7300 25.8400 25.2400 24.0900 24.1600 25.4200 24.6900 25.5800 26.3000 25.0800 25.6500 25.9900 26.0500 Uric acid Uric acid 14.2800 12.8500 17.7000 20.0800 16.5600 18.4100 17.5700 13.1100 20.2900 19.3900 18.0600 12.8100 11.5500 14.5000 13.5500 18.0200 16.1500 Uridine/pseudouridine 16.1500 16.6100 15.7600 16.2200 Valine Valine 22.5600 21.4200 20.8300 20.0200 19.3600 22.9600 20.7600 22.2500 22.7000 20.3100 21.0100 19.9000 20.4400 20.6800 20.5700 22.4200 20.2200 21.4600 20.1600 21