Clustering data with hclust algorithm for Pilot metabolomics study of aromatase inhibitor associated arthralgias (Study ST000695)
Reversed phase POSITIVE ION MODE (Analysis AN001076)Metabolite | Structure | F1 | F2 | F3 | F4 | F5 | F6 | F7 | F8 | F9 | F10 | F11 | F12 | F13 | F14 | F15 | F16 | F17 | F18 | F19 | F20 | F21 | F22 | F23 | F24 | F25 | F26 | F27 | F28 | F29 | F30 | F31 | F32 | F33 | F34 | F35 | F36 | F37 | F38 | F39 | F40 | F41 | F42 | F43 | F44 | F45 | F46 | F47 |
---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
ELAIDIC ACID (CAS# 112-79-8); (M+H)+ | ME196042 | 0.66 | 0.81 | 1.05 | 1.07 | 0.88 | 1.07 | 0.68 | 0.43 | 0.75 | 1.13 | 1.12 | 0.88 | 1.18 | 0.62 | 0.83 | 1.13 | 1.31 | 0.82 | 1.24 | 1.00 | 0.92 | 1.39 | 0.94 | 1.34 | 1.08 | 0.30 | 0.92 | 0.86 | 0.91 | 0.31 | 1.26 | 1.01 | 0.93 | 1.53 | 1.28 | 1.10 | 0.59 | 1.09 | 0.82 | 1.31 | 1.05 | 1.33 | 0.38 | 1.22 | 1.00 | 0.98 | NA |
16:0 LYSO PC (CAS# 17364-16-8); (M+H)+ | ME195872 | NA | NA | 1.57 | 1.23 | 0.93 | 1.32 | NA | NA | 0.96 | 0.09 | 0.67 | 1.09 | 2.27 | 1.28 | 0.86 | 0.34 | 1.26 | 0.84 | 0.65 | 0.33 | 1.40 | 0.91 | 1.31 | 0.96 | 1.40 | 0.68 | 1.14 | 0.23 | 0.84 | 0.36 | 0.78 | NA | 1.12 | NA | 0.94 | 1.88 | 0.81 | NA | 0.61 | 1.08 | 0.96 | NA | 1.05 | 1.26 | 1.67 | 0.75 | NA |
3-METHOXYTYROSINE (CAS# 4214-13-5); (M+H)+ | ME195906 | NA | 2.06 | NA | 0.76 | 0.59 | 0.78 | 1.46 | 1.86 | 0.95 | 0.79 | 0.87 | 1.14 | 1.13 | NA | 0.83 | 0.57 | NA | 0.77 | 0.50 | 0.77 | 0.65 | 0.81 | 0.84 | 1.94 | 0.98 | NA | 0.87 | 1.09 | 0.95 | NA | 1.20 | 1.28 | 2.53 | 1.09 | NA | 1.44 | 0.68 | 1.39 | 0.86 | 0.79 | 0.86 | 1.03 | 0.77 | 0.66 | NA | 1.12 | NA |
N-ACETYL-DL-SERINE (CAS# 97-14-3); (M+H)+[-H2O] | ME196183 | NA | 1.56 | 0.13 | 1.56 | 0.42 | 0.65 | 1.53 | 0.06 | 1.23 | 0.30 | 1.07 | 0.07 | NA | 0.24 | 0.17 | 0.12 | 0.26 | 1.32 | 0.05 | 0.28 | 2.04 | 1.02 | 0.41 | NA | 1.67 | 4.14 | 2.18 | 0.22 | 0.07 | 0.10 | 0.25 | 1.23 | 0.62 | 1.58 | 0.94 | 1.14 | 0.25 | 2.28 | 1.40 | 3.11 | 0.07 | NA | 1.88 | 0.58 | NA | 2.67 | NA |
JASMONIC ACID [ISTD] (CAS# 77026-92-7); (M+NA)+ | ME196110 | 0.68 | 1.13 | 1.12 | 1.13 | 0.87 | 1.02 | 0.63 | 1.03 | 0.98 | 0.89 | 1.09 | 0.94 | 1.07 | 0.81 | 1.06 | 0.84 | 1.26 | 0.89 | 0.78 | 1.06 | 1.01 | 1.05 | 0.59 | 1.49 | 1.15 | 0.91 | 0.90 | 0.92 | 0.88 | 0.63 | 1.13 | 0.86 | 1.05 | 1.02 | 1.31 | 1.29 | 0.85 | 1.47 | 0.78 | 1.01 | 0.94 | 1.33 | 0.91 | 1.08 | 0.87 | 0.92 | NA |
N-CYCLOHEXYLFORMAMIDE (CAS# 766-93-8); (M+H)+ | ME196201 | NA | NA | 0.29 | 2.76 | 0.33 | 0.62 | NA | NA | NA | 0.32 | 0.32 | 0.89 | 0.20 | NA | NA | NA | 1.34 | 2.40 | NA | 0.26 | 1.41 | 0.30 | NA | 0.40 | 0.38 | 1.49 | 0.57 | NA | NA | 0.84 | NA | 3.12 | NA | 1.49 | 0.28 | 0.42 | 0.27 | 1.13 | NA | 0.38 | 3.72 | 0.29 | 1.85 | NA | NA | 1.34 | NA |
MALTOSE (CAS# 69-79-4); (M+NA)+ | ME196151 | 1.72 | 1.87 | 1.63 | 1.09 | 0.68 | 0.80 | 1.41 | 1.02 | 0.67 | 1.37 | 1.58 | 0.40 | 0.51 | 0.34 | 0.42 | 0.47 | 0.38 | 0.71 | 0.36 | 0.70 | 1.41 | 0.58 | 0.42 | 0.35 | 0.81 | 0.36 | 0.39 | 0.49 | 0.34 | 1.05 | 0.82 | 1.91 | 0.76 | 0.79 | 0.31 | 1.97 | 6.05 | 0.74 | 0.62 | 0.24 | 1.30 | 0.22 | 0.37 | 0.47 | 0.18 | 1.45 | NA |
PIPECOLATE (CAS# 535-75-1); (M+NA)+ | ME196252 | 0.98 | 1.62 | 1.95 | 0.72 | 0.48 | 1.15 | 3.07 | NA | 0.77 | 0.74 | NA | 0.98 | NA | 0.69 | 0.75 | NA | 1.05 | 0.77 | 0.88 | 0.73 | 0.93 | 0.60 | 3.81 | 1.34 | 0.83 | 0.54 | 1.47 | NA | NA | NA | 0.69 | 0.72 | 0.69 | 0.72 | 0.97 | 0.90 | 0.65 | NA | 2.12 | 0.59 | 1.27 | NA | 1.15 | 0.48 | NA | NA | NA |
TYROSINE (CAS# 60-18-4); (M+H)+ | ME196324 | 1.35 | 1.19 | 0.81 | 0.98 | 0.84 | 0.83 | 0.93 | 0.81 | 1.27 | 1.03 | 1.23 | 1.17 | 1.12 | 0.70 | 0.65 | 0.78 | 1.19 | 0.88 | 0.97 | 0.86 | 1.07 | 0.77 | 1.22 | 0.75 | 1.05 | 1.49 | 0.88 | 1.06 | 0.67 | 1.11 | 1.21 | 1.32 | 1.06 | 1.15 | 0.97 | 1.33 | 0.68 | 1.12 | 1.04 | 1.18 | 1.12 | 0.93 | 1.17 | 1.19 | 0.59 | 0.89 | NA |
2-DEOXY-D-GLUCOSE (CAS# 154-17-6); (M+NA)+ | ME195883 | 0.78 | 1.48 | 1.01 | 0.95 | 0.59 | 0.82 | 0.34 | 0.39 | 1.02 | 0.99 | 1.12 | 0.84 | 1.15 | 0.74 | 1.06 | 0.66 | 1.22 | 0.74 | 0.59 | 1.06 | 0.85 | 0.88 | 1.34 | 0.62 | 1.23 | 0.68 | 1.03 | 0.49 | 1.13 | 0.90 | 1.13 | 1.18 | 1.10 | 1.18 | 1.54 | 1.66 | 0.88 | 1.08 | 0.85 | 1.09 | 0.94 | 0.80 | 1.69 | 1.11 | 1.49 | 1.04 | NA |
CITRULLINE (CAS# 372-75-8); (M+NA)+ | ME195999 | 1.27 | NA | NA | 0.76 | NA | 0.65 | 0.58 | NA | NA | NA | 1.83 | NA | NA | 1.43 | 0.51 | 0.97 | NA | 0.51 | NA | 1.02 | 1.22 | 1.12 | 2.64 | NA | 0.82 | NA | 0.50 | NA | NA | NA | 0.65 | 2.47 | 0.48 | 0.83 | 1.03 | 1.19 | 0.73 | 2.25 | 0.77 | 1.05 | 0.59 | NA | NA | 0.84 | NA | NA | NA |
SUCROSE (CAS# 57-50-1); (M+NA)+ | ME196299 | 1.73 | 1.88 | 1.64 | 0.97 | 0.69 | 0.80 | 1.41 | 1.03 | 0.67 | 1.30 | 1.59 | 0.40 | 0.51 | 0.17 | 0.34 | 0.47 | 0.38 | 0.71 | 0.36 | 0.70 | 1.42 | 0.58 | 0.43 | 0.36 | 0.86 | 0.36 | 0.42 | 0.49 | 0.34 | 1.05 | 0.83 | 1.84 | 0.77 | 0.76 | 0.41 | 1.88 | 6.07 | 0.75 | 0.57 | 0.29 | 1.31 | 0.22 | 0.37 | 0.47 | 0.18 | 1.45 | NA |
METHYL INDOLE-3-ACETATE (CAS# 1912-33-0); (M+NA)+ | ME196162 | 1.24 | 3.02 | 0.88 | 1.21 | 0.64 | 1.82 | 2.58 | 3.38 | 1.57 | 0.71 | 0.91 | 0.98 | 1.14 | 1.55 | 0.54 | 1.03 | 0.60 | 0.96 | 1.33 | 1.08 | 0.58 | 1.02 | 0.76 | 0.69 | 1.56 | 0.58 | 0.59 | 0.70 | 1.28 | 1.13 | 1.42 | 0.63 | 1.65 | 0.86 | 0.85 | 0.62 | 0.53 | 0.80 | 0.56 | 0.50 | 0.49 | 0.58 | 0.91 | 0.85 | 0.45 | 1.59 | NA |
PALMITOYLCARNITINE (CAS# 2364-67-2); (M+H)+ | ME196239 | 0.44 | 1.13 | 1.09 | 1.35 | 0.84 | 0.95 | 1.03 | 0.51 | 0.79 | 0.89 | 1.02 | 0.97 | 2.41 | 0.93 | 0.76 | 0.68 | 1.49 | 0.75 | 0.97 | 0.53 | 1.08 | 1.06 | 0.87 | 1.70 | 1.13 | 0.54 | 0.97 | 0.41 | 0.67 | 0.32 | 1.04 | 1.07 | 0.99 | 1.23 | 1.00 | 1.32 | 0.91 | 0.90 | 0.47 | 1.06 | 1.71 | 1.75 | 0.61 | 1.11 | 1.32 | 0.73 | NA |
LACTOSE (CAS# 63-42-3); (M+NA)+ | ME196129 | 1.72 | 1.87 | 1.63 | 1.13 | 0.66 | 0.78 | 1.41 | 1.02 | 0.67 | 1.37 | 1.58 | 0.40 | 0.51 | 0.34 | 0.39 | 0.47 | 0.38 | 0.68 | 0.36 | 0.70 | 1.39 | 0.58 | 0.42 | 0.35 | 0.84 | 0.36 | 0.42 | 0.49 | 0.34 | 1.05 | 0.81 | 1.89 | 0.76 | 0.79 | 0.31 | 1.97 | 6.05 | 0.74 | 0.62 | 0.27 | 1.30 | 0.18 | 0.33 | 0.47 | 0.18 | 1.45 | NA |
AZELAIC ACID (CAS# 123-99-9); (M+NA)+ | ME195966 | NA | NA | 1.07 | 1.71 | 0.50 | 1.03 | 1.03 | 1.49 | 0.95 | 0.75 | 0.84 | 0.77 | 1.09 | 0.44 | 1.15 | 0.60 | 1.27 | 0.58 | 0.34 | 2.16 | 1.24 | 1.05 | 0.64 | 0.62 | 1.76 | 0.55 | 0.66 | NA | 0.53 | 0.37 | 2.05 | NA | 1.41 | 1.03 | 0.67 | NA | 1.37 | 0.71 | 0.25 | 0.82 | 1.32 | 0.10 | NA | 0.62 | 0.79 | 1.12 | NA |
HYPOXANTHINE (CAS# 68-94-0); (M+NA)+ | ME196095 | 0.40 | 1.90 | 1.21 | 1.54 | 0.70 | 1.27 | 0.21 | 0.87 | 0.57 | 1.40 | 1.42 | 0.78 | 1.92 | 1.28 | 0.98 | 0.88 | 0.37 | 0.61 | 0.58 | 1.08 | 0.40 | 1.06 | 1.35 | 1.02 | 1.27 | 0.55 | 0.91 | 0.35 | 0.34 | 0.17 | 1.52 | 0.95 | 1.05 | 1.03 | 1.50 | 1.46 | 1.00 | 0.87 | 0.43 | 0.67 | 0.92 | 1.20 | 0.71 | 1.76 | 1.38 | 0.46 | NA |
3-HYDROXYBENZALDEHYDE (CAS# 100-83-4); (M+H)+[-H2O] | ME195904 | 0.58 | 1.44 | 0.64 | 0.36 | 0.43 | 0.41 | 0.44 | NA | 0.42 | 2.72 | 0.32 | 0.71 | 0.30 | 0.72 | 0.57 | 1.59 | 1.15 | 1.45 | 0.70 | 1.84 | 0.63 | 0.55 | 4.12 | 0.25 | 1.81 | 0.55 | 0.55 | 0.45 | NA | NA | 1.24 | 1.26 | 2.36 | 0.63 | 0.41 | 0.57 | 0.40 | 3.48 | 0.35 | 0.35 | 1.63 | 0.60 | 0.85 | 0.41 | 0.47 | 2.74 | NA |
5^-METHYLTHIOADENOSINE (CAS# 2457-80-9); (M+NA)+ | ME195933 | 0.88 | 0.90 | 1.04 | 1.13 | 1.12 | 1.13 | 1.18 | 1.78 | 1.14 | 0.87 | 0.86 | NA | NA | NA | NA | NA | 0.89 | 0.90 | 1.00 | 0.99 | 1.29 | 0.85 | NA | 0.71 | 1.26 | NA | NA | 1.05 | 0.96 | NA | 0.93 | NA | 0.86 | 0.68 | 0.84 | NA | 1.28 | 1.07 | 0.84 | NA | NA | NA | NA | 1.12 | NA | 0.72 | NA |
L-ARGININE-(GUANIDINEIMINO-15N2) [ISTD] (CAS# ); (M+H)+ | ME196117 | 0.76 | 0.71 | 1.17 | 0.80 | 1.21 | 1.00 | 0.36 | 0.50 | 0.81 | 1.05 | NA | 0.83 | 1.17 | 1.51 | 1.46 | 0.99 | 0.99 | 1.15 | 0.83 | 0.86 | 1.54 | 1.21 | 1.21 | 1.13 | 0.88 | 1.07 | 0.79 | 1.34 | 0.79 | 1.27 | 0.95 | 0.63 | 1.05 | 0.88 | 0.87 | 1.14 | 1.24 | 0.64 | 0.72 | 0.74 | 0.98 | 0.78 | NA | 1.29 | 0.56 | 0.91 | NA |
ASCORBATE (CAS# 50-81-7); (M+H)+[-H2O] | ME195963 | 0.40 | 1.87 | 1.19 | 1.51 | 0.68 | 1.25 | 0.20 | 0.86 | 0.55 | 1.39 | 1.40 | 0.76 | 1.86 | 1.26 | 0.96 | 0.86 | 0.36 | 0.60 | 0.58 | 1.06 | 0.47 | 1.48 | 1.35 | 0.99 | 1.24 | 0.54 | 0.89 | 0.36 | 0.33 | 0.17 | 1.48 | 0.93 | 1.09 | 1.03 | 1.47 | 1.44 | 0.98 | 0.86 | 0.40 | 0.65 | 0.89 | 1.18 | 0.69 | 1.71 | 1.33 | 0.45 | NA |
ISOLEUCINE (CAS# 73-32-5); (M+H)+ | ME196107 | 0.49 | 0.72 | 0.54 | 0.95 | 1.21 | 0.94 | 1.21 | 0.51 | 0.44 | 0.87 | 0.60 | 1.12 | 2.54 | 0.42 | 0.43 | 0.56 | 1.18 | 1.16 | 1.07 | 1.31 | 0.98 | 1.20 | 0.40 | 0.91 | 1.43 | 1.97 | 0.47 | 0.50 | 1.49 | 1.02 | 1.03 | 1.54 | 0.58 | 1.82 | 1.43 | 0.80 | 0.70 | 0.43 | 0.82 | 1.40 | 0.95 | 0.60 | 1.52 | 1.71 | 0.41 | 1.58 | NA |
N-ACETYL-L-LEUCINE (CAS# 1188-21-2); (M+NA)+ | ME196191 | NA | NA | 1.06 | 0.91 | NA | NA | NA | NA | NA | 0.97 | 1.29 | NA | 1.92 | NA | 0.88 | 0.67 | 1.56 | NA | 0.65 | NA | NA | NA | 0.55 | 1.91 | 1.37 | 0.83 | NA | 0.92 | NA | 0.85 | 1.00 | 1.25 | 0.87 | 0.53 | 1.27 | 1.03 | 0.78 | 0.46 | NA | NA | 1.18 | NA | NA | 1.62 | NA | 0.68 | NA |
GUANOSINE (CAS# 118-00-3); (M+H)+ | ME196083 | 2.00 | 3.75 | 0.67 | 0.96 | 0.89 | 0.95 | 2.64 | 1.91 | 1.19 | 0.47 | 1.28 | 0.84 | 0.41 | 1.25 | 0.60 | 0.69 | 2.32 | 2.24 | NA | 1.56 | 0.59 | 0.63 | NA | 3.68 | 0.76 | 0.50 | 0.72 | 0.68 | 0.16 | NA | 0.59 | 1.18 | 0.29 | 0.15 | 1.01 | 0.33 | 0.39 | 0.82 | 0.72 | 2.29 | 1.10 | 0.33 | 2.18 | 0.86 | 0.12 | 0.56 | NA |
1-METHYLXANTHINE (CAS# 6136-37-4); (M+H)+ | ME195865 | 0.96 | 1.31 | 0.85 | 1.31 | 0.82 | 1.18 | 1.08 | 1.10 | 0.97 | 1.06 | 0.93 | 0.98 | 1.43 | 0.74 | 0.74 | 0.73 | 1.21 | 0.75 | 1.09 | 1.16 | 0.68 | 0.99 | 1.06 | 0.04 | 1.22 | 1.04 | 0.86 | 0.65 | 0.71 | 0.65 | 1.33 | 1.27 | 1.16 | 1.25 | 1.05 | 1.54 | 0.65 | 1.34 | 0.70 | 0.84 | 1.02 | 1.39 | 0.78 | 1.12 | 0.81 | 0.96 | NA |
BILIVERDIN (CAS# 114-25-0); (M+NA)+ | ME195973 | 0.35 | NA | 1.00 | 1.90 | 0.86 | 0.62 | NA | NA | 0.90 | 1.02 | 0.59 | 0.84 | NA | 0.41 | 1.01 | NA | 1.04 | 1.05 | 0.75 | 0.70 | 0.64 | 0.93 | NA | NA | 0.91 | NA | 0.82 | 1.05 | 0.99 | 0.35 | 1.01 | 0.99 | 0.79 | 0.75 | 1.36 | 2.28 | 0.82 | 1.40 | 0.72 | 1.53 | 1.10 | 1.30 | NA | 1.60 | NA | 1.77 | NA |
BIS(2-ETHYLHEXYL)PHTHALATE (CAS# 117-81-7); (M+NA)+ | ME195975 | 0.82 | 0.99 | 0.74 | 1.20 | 0.66 | 1.47 | 2.51 | 0.95 | 0.82 | 0.98 | 1.29 | 1.03 | 0.94 | 0.77 | 0.84 | 0.68 | 1.46 | 1.00 | 0.73 | 0.92 | 1.24 | 0.94 | 0.99 | 0.92 | 1.12 | 0.71 | 0.94 | 0.54 | 0.65 | 0.67 | 1.03 | 1.47 | 1.02 | 1.29 | 0.79 | 0.93 | 0.70 | 1.01 | 0.79 | 0.82 | 0.73 | 1.09 | 1.41 | 1.04 | 1.01 | 1.15 | NA |
2-METHYLPROPANAL OXIME (CAS# 151-00-8); (M+H)+[-H2O] | ME195888 | 1.15 | NA | 1.92 | 1.17 | 0.89 | 0.42 | 0.42 | NA | 0.63 | 1.01 | 1.32 | 1.00 | 0.89 | 0.87 | 1.28 | 1.20 | 1.11 | 0.66 | 1.11 | 0.65 | 1.18 | 0.39 | 1.31 | 1.58 | 1.23 | 1.28 | 0.82 | 0.72 | NA | NA | 1.35 | 1.16 | 0.72 | 0.58 | 1.50 | 0.78 | 0.76 | 0.79 | 0.45 | 0.93 | 1.14 | 0.99 | 1.04 | 2.08 | 0.70 | 0.64 | NA |
KYNURENINE (CAS# 343-65-7); (M+H)+ | ME196111 | 0.84 | 1.43 | 0.90 | 1.34 | 0.82 | 1.25 | 1.57 | 1.89 | 0.90 | 0.78 | 0.81 | 1.12 | 1.00 | 0.61 | 0.81 | 0.58 | 1.15 | 0.95 | 0.69 | 0.88 | 0.92 | 0.81 | 0.72 | 1.03 | 1.35 | 1.49 | 0.90 | 0.87 | 0.62 | 0.75 | 1.19 | 1.23 | 1.30 | 0.89 | 0.97 | 1.06 | 0.64 | 1.35 | 0.81 | 0.97 | 0.94 | 1.43 | 1.01 | 1.23 | 0.61 | 0.99 | NA |
PURINE (CAS# 120-73-0); (M+NA)+ | ME196265 | NA | NA | 1.42 | 2.85 | 0.57 | 1.09 | NA | NA | 0.31 | NA | 0.58 | NA | 0.77 | 0.17 | 1.29 | 1.16 | 0.28 | 0.90 | NA | 1.20 | 1.42 | NA | 0.79 | NA | 1.02 | NA | 0.60 | 0.84 | NA | 0.47 | 0.75 | 0.96 | NA | 3.02 | 2.24 | 1.45 | 0.52 | NA | NA | NA | 0.73 | NA | NA | 0.14 | NA | NA | NA |
LAUROYLCARNITINE (CAS# 25518-54-1); (M+H)+ | ME196132 | 0.10 | 0.26 | 0.93 | 0.40 | 0.22 | 0.23 | 0.60 | 1.99 | 0.53 | 1.07 | 0.40 | 0.17 | 0.78 | 0.66 | 0.27 | 1.50 | 0.43 | 1.07 | 0.12 | 0.46 | 0.46 | 0.25 | 0.09 | 0.76 | 0.57 | 1.64 | 0.53 | 0.15 | 1.18 | 0.25 | 0.46 | 0.42 | 0.75 | 0.37 | 0.64 | 2.26 | 0.49 | 2.14 | 0.35 | 0.25 | 13.20 | 0.69 | 0.16 | 2.22 | 0.33 | 0.43 | NA |
GLYCOCHENODEOXYCHOLATE (CAS# 640-79-9); (M+NA)+ | ME196074 | 1.76 | 0.57 | 0.74 | 0.80 | 1.60 | 0.40 | 0.22 | 0.27 | 2.12 | 0.51 | 0.52 | 0.72 | NA | NA | 0.94 | 1.24 | 2.25 | 1.13 | 0.71 | 0.65 | 0.76 | 0.45 | 0.41 | 0.42 | 1.23 | 1.22 | 0.35 | 0.72 | 0.48 | 2.29 | 1.66 | 1.16 | 3.67 | 0.67 | 0.92 | 0.55 | 1.09 | NA | 0.87 | 0.18 | 2.88 | 0.16 | NA | 0.68 | NA | 0.13 | NA |
ALANINE (CAS# 56-41-7); (M+H)+ | ME195955 | NA | 1.23 | NA | 1.38 | NA | 1.37 | 1.36 | 1.46 | NA | 0.35 | 1.30 | 0.64 | NA | NA | 0.69 | NA | 1.49 | 0.73 | NA | 1.02 | 1.02 | NA | NA | 0.67 | 1.31 | NA | 0.69 | NA | NA | NA | 1.38 | 0.66 | 1.50 | 0.72 | 0.41 | NA | 0.36 | NA | NA | 1.05 | 0.59 | 0.47 | 0.86 | 0.71 | NA | 1.05 | NA |
MEVALONIC ACID (CAS# 674-26-0); (M+NA)+ | ME196164 | 0.73 | 5.58 | NA | 0.78 | NA | 2.05 | NA | NA | 0.61 | 0.97 | NA | 0.63 | NA | NA | 0.43 | 2.02 | 0.28 | NA | 1.27 | NA | NA | NA | 1.57 | 0.73 | 1.39 | 0.62 | 0.21 | NA | NA | NA | 0.51 | 0.86 | 0.69 | 0.34 | NA | 0.22 | 1.54 | 0.40 | NA | NA | 0.67 | NA | NA | NA | NA | NA | NA |
SN-GLYCERO-3-PHOSPHOCHOLINE (CAS# 28319-77-9); (M+H)+ | ME196291 | 1.27 | 0.46 | 0.48 | 0.86 | 0.57 | 1.76 | 0.85 | 0.49 | 0.88 | 1.05 | 1.48 | 0.82 | 0.57 | 0.66 | 0.78 | 0.79 | 1.32 | 0.74 | 1.96 | 1.30 | 1.42 | 0.55 | 1.29 | 0.14 | 1.28 | 1.22 | 1.00 | 0.50 | 0.63 | 0.89 | 1.54 | 1.22 | 0.81 | 1.20 | 0.82 | 1.61 | 0.95 | 0.93 | 0.84 | 0.64 | 0.63 | 0.73 | 2.78 | 0.36 | 0.93 | 1.04 | NA |
TRICARBALLYLIC ACID (CAS# 99-14-9); (M+H)+[-H2O] | ME196318 | 0.40 | 1.88 | 1.19 | 1.52 | 0.68 | 1.25 | 0.20 | 0.86 | 0.56 | 1.39 | 1.40 | 0.77 | 1.87 | 1.27 | 0.96 | 0.87 | 0.36 | 0.61 | 0.51 | 1.16 | 0.48 | 1.48 | 1.36 | 1.00 | 1.25 | 0.54 | 0.90 | 0.36 | 0.33 | 0.17 | 1.49 | 0.94 | 1.10 | 1.03 | 1.47 | 1.44 | 0.99 | 0.86 | 0.41 | 0.66 | 0.90 | 1.18 | 0.69 | 1.72 | 1.34 | 0.45 | NA |
GLUTAMATE (CAS# 56-86-0); (M+H)+[-H2O] | ME196066 | NA | 0.74 | 0.90 | 0.80 | 0.77 | 0.63 | NA | 0.41 | 0.88 | 1.01 | 2.08 | 0.53 | 3.92 | NA | 1.21 | 0.85 | 1.00 | 0.92 | 0.38 | 0.54 | 2.03 | 0.71 | 1.17 | NA | 2.46 | 1.01 | 0.61 | 0.77 | 0.52 | 0.71 | 0.88 | 0.56 | 1.48 | 0.53 | 0.92 | 1.49 | 1.21 | NA | NA | NA | 0.49 | NA | NA | 1.06 | 0.73 | 0.53 | NA |
PINITOL (CAS# 10284-63-6); (M+NA)+ | ME196250 | NA | 1.18 | 1.34 | 0.47 | 0.67 | 0.89 | NA | 0.18 | NA | 1.28 | 0.22 | 0.92 | NA | NA | 1.03 | 0.35 | NA | 0.52 | 0.62 | NA | 4.87 | 0.80 | 0.62 | NA | 1.96 | NA | 2.12 | 0.38 | 0.68 | NA | 0.61 | 0.57 | 0.58 | 0.41 | 0.78 | 0.38 | 0.24 | 4.79 | NA | 0.23 | NA | 1.44 | NA | NA | NA | NA | NA |
5-METHYLTETRAHYDROFOLATE (CAS# 134-35-0); (M+H)+ | ME195942 | NA | 0.63 | 1.24 | NA | 0.79 | 1.41 | NA | NA | 1.22 | 0.48 | 0.59 | NA | NA | NA | 0.93 | NA | 0.55 | 0.74 | NA | 1.14 | 1.23 | 1.25 | NA | NA | 1.30 | NA | NA | NA | 0.48 | NA | 1.65 | 0.63 | NA | 1.28 | 0.95 | 0.78 | 1.02 | NA | NA | 0.48 | 1.40 | NA | NA | 1.43 | NA | 1.26 | NA |
INDOLE-3-ACETATE (CAS# 87-51-4); (M+H)+ | ME196102 | 0.88 | 2.21 | 1.14 | 1.18 | 0.65 | 1.04 | 0.79 | 1.56 | 1.68 | 1.01 | 1.19 | 1.12 | 1.68 | 1.71 | 0.81 | 1.43 | 0.92 | 0.81 | 1.12 | 1.13 | 0.52 | 0.81 | 0.92 | 0.30 | 1.68 | 0.73 | 0.70 | 0.74 | 1.26 | 0.42 | 1.10 | 0.67 | 1.21 | 0.86 | 1.38 | 1.18 | 0.85 | 1.16 | 0.58 | 0.61 | 0.47 | 1.42 | 0.54 | 1.26 | 0.32 | 1.06 | NA |
OLEIC ACID (CAS# 112-80-1); (M+NA)+ | ME196231 | 0.67 | 0.54 | 0.90 | 0.95 | 1.17 | 1.09 | 1.14 | 0.76 | 0.87 | 1.08 | 0.74 | 0.97 | 0.80 | 0.76 | 1.08 | 1.12 | 1.32 | 1.08 | 1.01 | 0.96 | 1.20 | 0.72 | 1.12 | 1.68 | 0.86 | 1.04 | 0.77 | 1.44 | 1.15 | 1.23 | 0.72 | 0.86 | 1.08 | 1.02 | 0.95 | 1.05 | 0.94 | 1.25 | 0.97 | 1.36 | 1.25 | 0.77 | 1.85 | 0.93 | 0.61 | 0.69 | NA |
THYROXINE (CAS# 51-48-9); (M+H)+ | ME196314 | 1.18 | 1.81 | 0.81 | 1.39 | 0.65 | 1.08 | NA | 0.93 | 1.07 | 1.36 | NA | 1.22 | 1.03 | NA | 0.82 | 0.38 | 0.80 | 0.86 | NA | 1.09 | 1.06 | 1.31 | NA | 1.01 | 0.88 | 0.81 | 0.89 | NA | 0.99 | 0.61 | 0.86 | 1.05 | 1.21 | 1.14 | 0.98 | NA | 0.69 | NA | 0.74 | NA | 0.64 | NA | 1.01 | 1.14 | 1.25 | 1.29 | NA |
PHENYLALANINE (CAS# 63-91-2); (M+NA)+ | ME196246 | NA | NA | 0.75 | 2.10 | 0.52 | 0.34 | NA | 1.26 | NA | 1.93 | 1.51 | 0.66 | 1.21 | 1.04 | 1.04 | 0.73 | 0.37 | 0.66 | 0.64 | 0.87 | 0.35 | 0.71 | 0.54 | 1.54 | 1.20 | NA | 1.06 | 0.89 | 0.64 | NA | 0.74 | 0.90 | 0.94 | 1.89 | 1.16 | 2.02 | 0.83 | NA | 0.72 | 0.76 | 0.37 | 1.22 | 0.98 | 1.90 | 0.31 | NA | NA |
O-ACETYLCARNITINE (CAS# 461-77-8); (M+H)+ | ME196225 | NA | 0.28 | 1.93 | 0.45 | 1.04 | 0.36 | NA | NA | 0.29 | 1.29 | 2.83 | 0.66 | 3.20 | 0.91 | 2.44 | 0.09 | 0.18 | 0.64 | 0.93 | 0.09 | 0.81 | 0.58 | 1.79 | 5.30 | 0.93 | 0.05 | 0.50 | NA | 0.51 | 0.06 | 0.75 | 0.05 | 0.28 | 1.28 | 1.05 | 1.90 | 0.40 | 0.83 | 0.05 | 1.60 | 3.08 | 0.28 | NA | 1.89 | 0.06 | 1.20 | NA |
N(PAI)-METHYL-L-HISTIDINE (CAS# 332-80-9); (M+H)+ | ME196169 | 1.07 | NA | 0.95 | 1.93 | 1.08 | 1.16 | 1.62 | 1.59 | 0.36 | 0.70 | NA | 0.90 | NA | NA | 0.96 | 1.97 | 0.79 | 1.17 | 0.87 | 0.30 | 0.77 | 0.93 | 0.77 | NA | 2.08 | 0.72 | 1.02 | 1.49 | 0.66 | 0.48 | 0.80 | 0.44 | 0.62 | 0.85 | 1.22 | NA | 0.80 | 0.63 | 1.21 | 0.62 | 0.82 | 1.26 | NA | 2.04 | 0.29 | 1.57 | NA |
VALINE (CAS# 72-18-4); (M+H)+ | ME196334 | 1.01 | 0.99 | 1.07 | 1.02 | 0.79 | 1.13 | 0.74 | 0.74 | 0.99 | 1.09 | 1.14 | 0.91 | 1.17 | 0.68 | 0.79 | 1.20 | 1.05 | 0.78 | 0.98 | 0.93 | 1.04 | 0.97 | 1.21 | 1.62 | 1.17 | 0.86 | 0.93 | 1.11 | 0.47 | 0.45 | 1.20 | 1.01 | 1.06 | 1.21 | 1.16 | 1.64 | 0.72 | 1.20 | 0.68 | 0.96 | 0.88 | 1.44 | 0.68 | 1.30 | 0.76 | 0.87 | NA |
METHYL INDOLE-3-ACETATE (CAS# 1912-33-0); (M+H)+ | ME196161 | NA | NA | 0.90 | 0.90 | 0.40 | 1.60 | 1.84 | 3.31 | 1.15 | NA | NA | 0.73 | NA | NA | 0.86 | NA | 0.37 | 0.87 | 1.18 | 1.37 | 0.28 | NA | NA | NA | NA | 0.36 | 0.59 | NA | 1.15 | 0.73 | 1.46 | NA | 1.01 | NA | NA | NA | 0.90 | NA | NA | 0.51 | NA | NA | NA | 0.67 | 0.29 | 1.47 | NA |
1-OLEOYL-RAC-GLYCEROL (CAS# 111-03-5); (M+NA)+ | ME195869 | 0.53 | 0.73 | 0.79 | 2.10 | 0.84 | 1.43 | 3.36 | 1.33 | 1.32 | 0.91 | 1.17 | 0.59 | 2.94 | 1.30 | 0.57 | 0.72 | 0.97 | 0.55 | 0.79 | 0.71 | 1.92 | 0.68 | 0.96 | 0.69 | 0.67 | 0.79 | 0.83 | 0.50 | 0.61 | 0.80 | 0.90 | 1.62 | 1.09 | 1.63 | 0.42 | 1.35 | 0.86 | 0.09 | 0.38 | 1.55 | 0.70 | 0.91 | 0.94 | 0.82 | 0.91 | 0.88 | NA |
24:0 SM (D18:1/24:0) (CAS# 60037-60-7); (M+NA)+ | ME195892 | NA | 0.04 | 0.73 | 0.79 | 0.17 | 2.95 | 9.32 | 2.45 | 1.37 | 0.32 | 0.08 | 0.06 | 0.02 | 0.06 | 0.41 | 0.01 | 2.14 | 0.09 | 1.25 | 1.44 | 4.49 | 0.75 | 0.04 | 0.06 | 1.23 | 0.21 | 0.51 | NA | 1.47 | NA | 0.13 | 0.15 | 0.62 | 0.86 | 0.51 | 0.73 | 0.61 | 0.10 | 0.13 | 1.06 | 0.10 | 0.00 | NA | 1.73 | 3.52 | 0.27 | NA |
URIDINE (CAS# 58-96-8); (M+NA)+ | ME196330 | 1.36 | 2.67 | 0.95 | 1.28 | 0.80 | 0.96 | 0.44 | 0.94 | 0.62 | 1.07 | 0.93 | 0.98 | 1.69 | 0.61 | 0.94 | 0.69 | 1.02 | 0.73 | 0.63 | 1.08 | 0.74 | 0.90 | 1.11 | 1.00 | 1.25 | 0.94 | 1.08 | 0.65 | 1.04 | 0.44 | 1.15 | 0.92 | 0.95 | 1.06 | 1.29 | 1.45 | 0.71 | 1.94 | 0.69 | 0.94 | 0.86 | 1.52 | 0.79 | 1.51 | 1.16 | 0.81 | NA |
XANTHOSINE (CAS# 146-80-5); (M+NA)+ | ME196339 | 7.63 | 14.07 | NA | 0.37 | 0.19 | 0.31 | NA | 0.22 | NA | 0.31 | NA | 0.40 | 0.20 | NA | NA | NA | NA | 0.25 | NA | 0.39 | NA | 0.62 | NA | 0.28 | 0.32 | NA | NA | NA | NA | NA | 0.37 | NA | 0.31 | NA | 0.30 | 0.24 | 0.19 | 0.53 | NA | NA | NA | 0.43 | 0.43 | 0.18 | NA | 0.23 | NA |
METHYL BETA-D-GALACTOSIDE (CAS# 1824-94-8); (M+NA)+ | ME196160 | NA | 1.17 | 1.58 | 0.42 | 0.66 | 0.88 | NA | 0.18 | NA | 1.27 | 0.22 | 0.97 | NA | NA | 1.03 | 0.34 | NA | 0.52 | 0.62 | NA | 4.84 | 0.80 | 0.62 | NA | 1.88 | NA | 1.99 | 0.37 | 0.67 | NA | 0.61 | 0.59 | 0.58 | 0.40 | 0.78 | 0.38 | 0.24 | 5.01 | NA | 0.23 | NA | 1.43 | NA | NA | NA | NA | NA |
PALATINOSE (CAS# 343336-76-5); (M+NA)+ | ME196238 | 1.72 | 1.87 | 1.63 | 1.09 | 0.68 | 0.80 | 1.41 | 1.02 | 0.67 | 1.37 | 1.58 | 0.40 | 0.51 | 0.34 | 0.39 | 0.47 | 0.38 | 0.71 | 0.36 | 0.70 | 1.41 | 0.58 | 0.42 | 0.35 | 0.85 | 0.36 | 0.42 | 0.49 | 0.34 | 1.05 | 0.82 | 1.85 | 0.76 | 0.76 | 0.31 | 1.87 | 6.05 | 0.74 | 0.62 | 0.29 | 1.30 | 0.22 | 0.37 | 0.47 | 0.18 | 1.45 | NA |
L-HISTIDINE (CAS# 71-00-1); (M+H)+ | ME196121 | 0.12 | 21.05 | 0.29 | 1.36 | 0.19 | 0.73 | 0.07 | 3.33 | 0.16 | 0.78 | 0.49 | 0.18 | 3.66 | 0.24 | 0.27 | 0.33 | 0.21 | 1.52 | 0.18 | 0.61 | 0.27 | 0.80 | 0.33 | 0.07 | 0.29 | 0.24 | 1.42 | 0.22 | 0.11 | 0.18 | 0.23 | 3.60 | 0.56 | 0.80 | 0.27 | 0.31 | 0.23 | 0.10 | 0.12 | 0.22 | 0.20 | 0.20 | NA | 5.29 | 0.16 | 0.93 | NA |
THEOPHYLLINE (CAS# 58-55-9); (M+NA)+ | ME196309 | 0.32 | 0.64 | 1.38 | 1.47 | 1.07 | 1.07 | 0.23 | 1.00 | 0.92 | 1.02 | 0.70 | 1.15 | 0.29 | 0.03 | 0.38 | 1.13 | 1.73 | 1.17 | 0.54 | 0.71 | 1.13 | 0.75 | 1.16 | 0.70 | 1.33 | 1.93 | 1.50 | 0.43 | 0.40 | 0.76 | 1.54 | 0.46 | 2.38 | 0.80 | 1.28 | 0.97 | 0.50 | 0.66 | 0.51 | 0.62 | 0.80 | 1.34 | 1.16 | 1.36 | 0.58 | 1.20 | NA |
N-ACETYL-L-ALANINE (CAS# 97-69-8); (M+NA)+ | ME196187 | NA | NA | 1.33 | 1.27 | 0.82 | 1.32 | 0.91 | 0.71 | 0.63 | 1.31 | 1.03 | 0.92 | 1.27 | 0.76 | 1.09 | 0.71 | 1.19 | 0.75 | 0.68 | 0.95 | 0.88 | 0.98 | 1.22 | 1.53 | 1.32 | 0.62 | 0.89 | 0.69 | 0.80 | 0.43 | 1.42 | 0.78 | 0.81 | 0.93 | 1.46 | 1.41 | 0.82 | 0.86 | 0.58 | 0.87 | 0.92 | 1.62 | 0.65 | 1.26 | 0.83 | 0.83 | NA |
L-HISTIDINE (CAS# 71-00-1); (M+NA)+ | ME196122 | 0.93 | NA | 1.13 | 0.94 | 0.81 | NA | 0.50 | NA | 0.50 | 1.06 | 1.64 | 0.66 | 1.02 | 0.93 | 1.13 | 0.65 | 1.14 | 0.76 | 0.71 | 0.84 | 0.93 | 0.64 | 1.15 | 1.32 | 1.13 | NA | NA | 0.84 | NA | 0.54 | 0.88 | 0.63 | 0.94 | 0.81 | 1.14 | 1.24 | 0.97 | NA | 0.57 | 0.94 | 0.97 | NA | NA | 3.76 | 0.84 | 0.76 | NA |
METHYL JASMONATE (CAS# 1211-29-6); (M+NA)+ | ME196163 | 0.97 | 1.32 | 1.06 | 1.12 | 0.91 | 1.15 | 0.78 | 0.97 | 0.94 | 1.13 | 1.02 | 1.23 | 1.14 | 0.81 | 1.08 | 0.93 | 1.14 | 0.73 | 0.83 | 1.07 | 0.70 | 1.13 | 1.25 | 1.53 | 1.23 | 0.48 | 0.92 | 1.03 | 0.95 | 0.77 | 1.25 | 0.73 | 1.09 | 0.93 | 1.13 | 1.36 | 0.80 | 0.70 | 0.83 | 0.90 | 0.93 | 1.15 | 0.59 | 1.29 | 0.99 | 0.68 | NA |
2-METHYLGLUTARIC ACID (CAS# 18069-17-5); (M+NA)+ | ME195886 | NA | 1.05 | 1.19 | 1.20 | 0.42 | 0.61 | 0.69 | 1.05 | 0.86 | 0.78 | 1.06 | 0.78 | 0.90 | 0.46 | 0.73 | NA | 1.09 | 0.68 | 1.28 | 1.02 | 1.08 | 0.93 | 0.39 | 2.55 | 1.48 | NA | 1.32 | NA | 0.46 | NA | 0.78 | NA | 1.61 | 1.07 | 1.22 | 1.41 | 1.19 | 1.18 | 0.44 | NA | 1.41 | 1.07 | NA | 0.61 | NA | 0.74 | NA |
4-QUINOLINECARBOXYLIC ACID (CAS# 486-74-8); (M+H)+ | ME195931 | 0.89 | NA | 1.53 | 1.41 | 0.79 | 1.23 | NA | NA | 1.01 | 1.06 | 0.88 | 1.53 | NA | NA | 0.59 | 0.69 | 0.52 | 0.55 | 0.81 | 0.79 | NA | 1.27 | 1.23 | NA | 1.74 | NA | 1.00 | NA | 0.77 | NA | 1.08 | 0.70 | 0.96 | 1.10 | 1.08 | 1.30 | NA | 1.25 | 1.07 | NA | 0.56 | 1.80 | NA | 0.97 | 0.77 | NA | NA |
N-ALPHA-ACETYL-L-LYSINE (CAS# 1946-82-3); (M+H)+ | ME196198 | 1.97 | NA | 0.61 | 0.95 | 0.92 | 0.94 | 0.87 | 1.44 | 2.11 | 0.60 | 3.03 | 1.03 | 0.65 | 0.50 | 0.79 | 0.15 | 0.92 | 0.75 | 0.48 | 0.87 | 1.09 | 1.02 | 1.65 | NA | 1.01 | 1.14 | 0.96 | NA | NA | NA | 0.71 | 1.02 | 0.81 | 1.18 | 0.91 | 1.31 | 0.67 | 2.61 | 0.32 | 1.09 | 1.00 | 1.31 | 0.93 | 1.11 | 0.64 | 1.33 | NA |
KYNURENINE (CAS# 343-65-7); (M+NA)+ | ME196112 | 0.70 | 1.97 | 0.92 | 1.39 | 0.51 | 1.09 | 1.19 | 1.70 | 0.77 | 1.11 | 0.53 | 1.27 | 1.26 | 0.62 | 0.82 | 0.55 | 1.14 | 0.97 | NA | 0.65 | 0.82 | 0.80 | 0.87 | 0.97 | 1.62 | 1.00 | 0.88 | 0.59 | 0.68 | 0.60 | 1.15 | 1.10 | 1.34 | 0.78 | 1.19 | 1.08 | 0.60 | 1.11 | 0.53 | 0.80 | 1.05 | 1.67 | 1.03 | 1.37 | 0.74 | 0.78 | NA |
5-OXOPROLINE (CAS# 4042-36-8); (M+H)+ | ME195943 | 1.20 | 0.84 | 1.07 | 1.40 | 0.90 | 0.67 | 0.55 | 0.99 | 0.80 | 0.92 | 0.79 | 0.80 | 1.23 | 0.76 | 1.04 | 0.94 | 0.62 | 0.82 | 1.62 | 0.72 | 1.31 | 0.76 | 1.05 | 1.02 | 1.22 | 1.34 | 1.14 | 0.07 | 0.62 | 0.75 | 1.16 | 0.84 | 0.87 | 1.37 | 1.05 | 1.82 | 0.72 | 1.32 | 0.74 | 1.14 | 1.08 | 1.50 | 0.54 | 1.06 | 0.77 | 0.81 | NA |
PALMITOYLCARNITINE (CAS# 2364-67-2); (M+NA)+ | ME196240 | 0.53 | 0.90 | 0.81 | 1.69 | 0.95 | 1.11 | 1.75 | 0.61 | 0.93 | 0.78 | 0.94 | 1.08 | 1.50 | 0.92 | 0.63 | 0.67 | 1.33 | 1.21 | 1.08 | 0.55 | 1.45 | 0.84 | 0.55 | 1.07 | 0.97 | 0.92 | 0.89 | 0.49 | 0.73 | 0.56 | 0.81 | 1.63 | 0.84 | 1.27 | 0.77 | 0.92 | 1.06 | 1.58 | 0.60 | 0.87 | 1.25 | 1.11 | 1.06 | 0.84 | 1.49 | 0.94 | NA |
LUMICHROME (CAS# 1086-80-2); (M+NA)+ | ME196145 | 0.66 | NA | 0.39 | NA | 0.30 | 0.11 | 0.19 | NA | NA | 0.18 | 0.45 | 0.16 | NA | NA | 0.18 | 0.39 | NA | 0.29 | 1.06 | 0.17 | 0.13 | 0.10 | NA | NA | 1.24 | 0.08 | 0.26 | NA | 0.12 | 0.14 | 0.20 | 0.10 | 0.15 | 0.75 | 13.53 | 0.28 | 0.42 | NA | 16.97 | 0.14 | NA | 0.17 | NA | 0.46 | 0.12 | 0.11 | NA |
16:0-18:0 PC (CAS# 59403-51-9); (M+NA)+ | ME195875 | 0.20 | NA | 0.97 | 0.45 | 0.44 | NA | 0.52 | NA | 0.34 | 0.30 | 0.12 | 1.09 | 0.47 | 0.41 | 0.86 | 1.95 | 1.14 | 0.56 | 2.17 | 1.22 | 0.95 | 0.93 | NA | 2.32 | 0.14 | 3.10 | 0.69 | NA | 1.74 | 1.54 | 0.19 | 2.04 | 1.12 | 1.29 | NA | 2.16 | 2.04 | 1.39 | NA | 1.37 | 1.20 | 0.92 | NA | 1.20 | NA | 1.05 | NA |
3BETA-HYDROXYANDROST-5-EN-17-ONE 3-SULFATE (CAS# ); M+[-HSO4] | ME195916 | NA | 0.40 | 0.32 | 2.81 | 0.32 | 1.23 | NA | NA | NA | 0.41 | 0.79 | 1.14 | 0.98 | 0.63 | 0.83 | 0.96 | NA | 0.63 | NA | 0.92 | 1.36 | 2.45 | NA | 0.31 | 1.07 | NA | 0.99 | NA | NA | NA | 1.98 | 0.91 | 1.08 | 0.47 | 0.46 | 1.18 | 0.33 | 0.75 | NA | 0.72 | NA | 1.20 | NA | NA | NA | NA | NA |
HIPPURATE (CAS# 495-69-2); (M+NA)+ | ME196086 | 0.66 | 1.19 | 0.55 | 0.42 | 0.46 | 0.34 | 0.46 | NA | 0.44 | 2.50 | 0.39 | 0.65 | NA | 0.61 | 0.49 | 1.51 | 1.17 | 1.54 | 0.77 | 1.82 | 0.72 | 0.38 | 3.70 | NA | 2.07 | 0.67 | 0.43 | 0.43 | 0.26 | NA | 0.83 | 1.41 | 2.26 | 0.64 | 0.51 | 0.47 | 0.37 | 4.02 | 0.38 | 0.37 | 1.66 | 0.46 | 0.89 | 0.42 | 0.48 | 3.07 | NA |
PROSTAGLANDIN E2 (CAS# 363-24-6); (M+NA)+ | ME196261 | 1.09 | 2.83 | 0.69 | 1.59 | 0.32 | 1.13 | 1.91 | 1.16 | 0.92 | 1.49 | 0.95 | 1.55 | 0.80 | 0.62 | 0.97 | 0.67 | 0.38 | 0.48 | 1.36 | 1.07 | 0.54 | 1.06 | 1.32 | 1.10 | 1.35 | 0.33 | 0.90 | 0.23 | 0.40 | 0.49 | 0.53 | 1.71 | 0.98 | 2.15 | 0.34 | 1.14 | 0.42 | 2.29 | 0.29 | 0.56 | 0.57 | 2.22 | NA | 0.80 | 1.03 | 1.09 | NA |
CHOLESTEROL (CAS# 57-88-5); (M+H)+[-H2O] | ME195989 | 0.89 | 1.18 | 1.10 | 1.05 | 0.80 | 1.13 | 0.88 | 1.10 | 0.87 | 1.00 | 1.16 | 1.04 | 1.79 | 1.02 | 0.96 | 0.96 | 1.47 | 0.74 | 0.84 | 0.97 | 0.83 | 1.06 | 0.95 | 1.47 | 1.20 | 0.60 | 1.02 | 0.68 | 0.74 | 0.43 | 1.08 | 0.88 | 1.04 | 1.04 | 1.17 | 1.26 | 0.76 | 0.65 | 0.81 | 1.10 | 0.82 | 1.57 | 0.80 | 1.26 | 1.16 | 0.78 | NA |
TAUROLITHOCHOLATE (CAS# 516-90-5); (M+H)+ | ME196304 | NA | NA | 1.10 | NA | 1.02 | 1.14 | 0.66 | 0.79 | 1.06 | 1.62 | 1.11 | 1.14 | 0.98 | 0.65 | 1.08 | NA | NA | 0.88 | 0.71 | 1.23 | 0.58 | 0.94 | 0.96 | NA | 1.13 | 1.15 | 0.91 | 0.97 | 0.41 | 0.63 | 1.28 | 1.53 | 1.06 | 1.12 | 0.64 | 0.54 | 0.94 | 1.36 | 0.85 | 0.89 | 1.01 | 1.56 | 1.01 | 1.52 | NA | 0.96 | NA |
4-HYDROXY-2-QUINOLINECARBOXYLIC ACID-KRYNURENIC ACID (CAS# 492-27-3); (M+H)+ | ME195922 | 0.66 | NA | 0.59 | 1.25 | 0.58 | 0.71 | 2.38 | 2.35 | 0.80 | 1.04 | 0.56 | 1.20 | 0.92 | 0.47 | 0.68 | 0.74 | 0.84 | 0.95 | 1.04 | 1.33 | 0.75 | 1.15 | 0.51 | 1.09 | 1.69 | NA | 0.70 | 0.45 | 0.64 | 0.48 | 1.47 | 0.84 | 1.57 | 1.33 | 1.78 | 1.52 | 0.77 | 0.87 | 0.81 | 0.44 | 0.66 | 1.55 | 0.77 | 0.73 | NA | 1.14 | NA |
NORMETANEPHRINE (CAS# 0); (M+H)+ | ME196221 | 1.09 | 1.27 | 1.38 | 0.63 | NA | 1.11 | 0.98 | 1.01 | NA | 0.94 | NA | 1.27 | 1.12 | NA | 0.54 | NA | 2.43 | 0.58 | 0.97 | 0.99 | 0.95 | 0.55 | NA | NA | 0.62 | 0.90 | NA | 1.03 | 0.97 | 0.83 | 1.26 | 1.02 | 0.70 | 0.92 | NA | 1.69 | 0.71 | NA | 0.81 | NA | 0.59 | NA | 0.89 | 0.88 | NA | 0.94 | NA |
LEUCINE (CAS# 328-39-2); (M+NA)+ | ME196135 | 0.66 | 2.35 | 1.10 | 0.89 | 0.76 | 0.62 | NA | NA | 1.18 | 0.93 | 1.09 | 0.63 | NA | 0.79 | NA | 0.83 | 1.08 | 0.85 | 0.94 | NA | 0.99 | 1.22 | NA | 1.45 | NA | NA | 0.59 | 1.03 | NA | 0.64 | 1.47 | 1.23 | NA | 0.59 | 1.40 | NA | 0.83 | 0.90 | 0.78 | 1.08 | 1.10 | 1.44 | 0.98 | NA | NA | 0.76 | NA |
5-OXOPROLINE (CAS# 4042-36-8); (M+NA)+ | ME195944 | NA | NA | NA | 1.26 | 0.71 | 1.09 | 0.35 | NA | 0.96 | 1.22 | 1.00 | NA | NA | 0.78 | 1.33 | 0.86 | 0.76 | NA | 1.79 | 1.12 | NA | 0.90 | 1.22 | 0.64 | 1.49 | NA | NA | NA | NA | 0.37 | 1.67 | 1.00 | 1.15 | NA | NA | NA | 0.38 | NA | 0.38 | 0.88 | 0.95 | 1.76 | NA | 0.88 | NA | 1.03 | NA |
BETA-MALTOSE (CAS# 69-79-4); (M+NA)+ | ME195968 | 1.72 | 1.87 | 1.63 | 1.15 | 0.68 | 0.80 | 1.41 | 1.02 | 0.67 | 1.37 | 1.58 | 0.40 | 0.51 | 0.34 | 0.34 | 0.47 | 0.38 | 0.71 | 0.36 | 0.70 | 1.41 | 0.58 | 0.42 | 0.35 | 0.85 | 0.36 | 0.42 | 0.49 | 0.34 | 1.05 | 0.82 | 1.86 | 0.77 | 0.76 | 0.31 | 1.88 | 6.05 | 0.74 | 0.62 | 0.29 | 1.30 | 0.22 | 0.37 | 0.47 | 0.18 | 1.45 | NA |
TRYPTOPHAN (CAS# 73-22-3); (M+H)+ | ME196321 | 0.90 | 1.22 | 0.98 | 1.10 | 0.78 | 1.01 | 0.68 | 0.81 | 0.96 | 1.03 | 1.01 | 1.10 | 1.36 | 0.75 | 0.92 | 0.84 | 1.05 | 0.81 | 0.83 | 1.08 | 0.92 | 0.97 | 1.02 | 0.94 | 1.28 | 0.92 | 0.98 | 0.85 | 1.02 | 0.59 | 1.11 | 1.17 | 0.92 | 1.03 | 1.21 | 1.31 | 0.79 | 1.18 | 0.84 | 0.91 | 0.96 | 1.51 | 1.08 | 1.29 | 0.84 | 0.94 | NA |
4-ACETAMIDOBUTANOATE (CAS# 3025-96-5); (M+NA)+ | ME195918 | 1.24 | 2.62 | 1.03 | 0.99 | 0.69 | 1.28 | 1.25 | 2.25 | 0.64 | 1.18 | 1.10 | 1.22 | 0.74 | 0.28 | 0.70 | 0.79 | 0.77 | 0.73 | 0.91 | 0.85 | 0.79 | 0.98 | 1.31 | 1.26 | 1.44 | 0.50 | 0.86 | 0.63 | 0.63 | 0.35 | 1.26 | 0.90 | 1.29 | 0.97 | 1.35 | 1.05 | 0.76 | 2.90 | 0.70 | 0.82 | 0.79 | NA | 0.54 | 1.20 | 0.53 | 0.65 | NA |
5^-METHYLTHIOADENOSINE (CAS# 2457-80-9); (M+H)+ | ME195932 | 0.96 | 1.31 | 1.29 | 1.22 | 1.12 | 1.15 | 1.73 | 1.93 | 1.24 | 1.00 | 0.89 | 1.00 | 0.79 | 0.65 | 0.62 | 0.75 | 1.00 | 0.90 | 1.07 | 1.20 | 1.17 | 0.99 | 0.58 | 0.94 | 1.20 | 0.89 | 0.67 | 0.79 | 1.09 | 1.07 | 1.00 | 1.05 | 0.97 | 0.90 | 0.82 | 1.01 | 0.85 | 1.44 | 0.75 | 0.87 | 1.01 | 0.84 | 0.92 | 1.09 | 0.58 | 1.28 | NA |
1-METHYLXANTHINE (CAS# 6136-37-4); (M+NA)+ | ME195866 | NA | 1.44 | 0.97 | 1.12 | 0.51 | 0.65 | NA | NA | 0.16 | 1.17 | 0.93 | 1.11 | 1.74 | 0.70 | 0.76 | 0.73 | 1.28 | 0.76 | 1.06 | 0.87 | 0.56 | 1.25 | 1.14 | 0.91 | 1.27 | 1.04 | 0.90 | 0.63 | 0.83 | 0.62 | 1.44 | 1.48 | 1.30 | 0.84 | 1.14 | 1.57 | 0.59 | 1.42 | 0.62 | 0.81 | 1.25 | 1.61 | 0.77 | 1.17 | 1.02 | 0.95 | NA |
PIPECOLATE (CAS# 535-75-1); (M+H)+ | ME196251 | 0.07 | 1.57 | 0.09 | 2.43 | 1.38 | 2.47 | 4.84 | 0.07 | 1.61 | 0.89 | 2.90 | 0.09 | 0.11 | 0.06 | 0.08 | 0.11 | 0.09 | 1.06 | 0.07 | 0.08 | 1.05 | 1.15 | 7.67 | 0.15 | 1.33 | 0.10 | 2.06 | 0.07 | 1.76 | 0.08 | 0.14 | 0.08 | 1.67 | 1.73 | 0.12 | 0.13 | 0.07 | 3.80 | 0.05 | 0.77 | 0.08 | 0.10 | 0.07 | NA | NA | 1.17 | NA |
URATE (CAS# 69-93-2); (M+H)+ | ME196327 | 1.01 | 1.16 | 1.00 | 1.34 | 0.88 | 1.23 | 1.43 | 1.44 | 0.84 | 0.90 | 0.90 | 0.92 | 0.79 | 0.51 | 0.75 | 0.87 | 1.24 | 0.89 | 1.11 | 0.85 | 1.27 | 0.99 | 1.17 | 1.94 | 0.99 | 1.10 | 0.80 | 1.05 | 0.71 | 0.69 | 1.03 | 0.95 | 1.01 | 1.04 | 1.21 | 1.29 | 0.65 | 1.32 | 0.89 | 1.02 | 0.91 | 1.21 | 1.20 | 1.07 | 0.75 | 0.99 | NA |
20:0 LYSO PC (CAS# 108341-80-6); (M+NA)+ | ME195890 | NA | 1.02 | 0.35 | 0.88 | 1.18 | 1.20 | 0.46 | 0.97 | 0.91 | 0.80 | 1.27 | 1.21 | 1.78 | 1.29 | 0.74 | 1.24 | 0.81 | 0.88 | 0.57 | 0.99 | 0.71 | 0.94 | NA | 0.90 | 2.08 | 1.00 | 1.06 | NA | 1.20 | 0.85 | 0.56 | 0.64 | 0.75 | 1.08 | 0.73 | 1.80 | 1.11 | 1.38 | 0.30 | 1.22 | 1.04 | 0.78 | 1.35 | 0.75 | 1.26 | 0.42 | NA |
METHIONINE (CAS# 63-68-3); (M+H)+ | ME196159 | 1.18 | 1.08 | 0.82 | 1.04 | 0.75 | 1.05 | 0.79 | 0.74 | 0.88 | 0.87 | 1.27 | 1.19 | 1.01 | 0.59 | 0.81 | 1.01 | 1.12 | 0.87 | 0.96 | 1.04 | 1.06 | 1.06 | 0.98 | 1.30 | 1.09 | 1.17 | 0.87 | 1.02 | 0.63 | 0.67 | 1.12 | 1.25 | 1.06 | 1.33 | 1.14 | 1.34 | 0.71 | 1.03 | 0.87 | 1.03 | 1.04 | 1.01 | 1.05 | 1.01 | 0.73 | 1.05 | NA |
THEOPHYLLINE (CAS# 58-55-9); (M+H)+ | ME196308 | 1.89 | 1.92 | 0.41 | 3.39 | 0.59 | 1.47 | 0.19 | 0.07 | 1.29 | 1.84 | 0.88 | 1.22 | 1.17 | 0.46 | 0.92 | 1.03 | 0.42 | 1.29 | 0.81 | 0.74 | 1.06 | 0.55 | 2.21 | 0.14 | 1.56 | 1.69 | 0.22 | 0.52 | NA | 0.11 | 1.99 | 0.91 | 0.81 | 1.23 | 0.25 | 0.60 | 0.46 | 0.57 | 0.95 | 0.34 | 0.56 | 0.46 | 1.34 | 1.05 | 0.50 | 1.75 | NA |
16:0-18:0 PC (CAS# 59403-51-9); (M+H)+ | ME195874 | NA | NA | 1.37 | 0.58 | 1.28 | 1.19 | 0.51 | 1.66 | 0.35 | 0.87 | 0.46 | 0.87 | 0.45 | 0.34 | 0.84 | 1.33 | 1.59 | 0.91 | 1.56 | 0.90 | 0.81 | 1.14 | 0.80 | 1.77 | 0.86 | 1.19 | 1.34 | 0.42 | 1.35 | 0.84 | 0.75 | 0.90 | 1.06 | 1.76 | 0.95 | 1.27 | 0.99 | NA | 0.67 | 0.86 | 0.90 | 0.40 | NA | 1.09 | 0.97 | 0.97 | NA |
GUANINE (CAS# 73-40-5); (M+H)+ | ME196081 | 1.25 | 0.96 | 0.83 | 1.05 | 0.72 | 1.06 | 0.89 | 0.72 | 0.88 | 0.89 | 1.29 | 1.18 | 4.53 | 0.61 | 0.77 | 1.00 | 1.11 | 0.90 | 0.90 | 1.05 | 0.94 | 1.01 | 1.08 | 1.06 | 1.05 | 1.20 | 0.88 | 1.01 | 0.65 | 0.66 | 1.14 | 1.21 | 0.82 | 0.76 | 1.13 | 1.26 | 0.69 | 1.08 | 0.84 | 1.03 | 0.99 | 1.08 | NA | 0.97 | 0.69 | 1.07 | NA |
LEUKOTRIENE B4 (CAS# 71160-24-2); (M+NA)+ | ME196138 | 1.37 | 1.56 | 0.80 | 1.40 | 0.50 | 1.47 | 0.41 | 1.03 | 0.94 | 1.54 | 1.19 | 1.30 | 1.01 | 0.69 | 0.98 | 0.22 | 0.83 | 0.57 | 0.75 | 1.09 | 0.41 | 0.97 | 1.09 | 0.20 | 1.18 | 0.58 | 1.07 | 0.71 | 0.13 | 0.56 | 1.79 | 1.47 | 0.94 | 1.84 | 0.85 | 1.15 | 0.69 | 1.74 | 0.66 | 0.58 | 0.80 | NA | 0.74 | 1.28 | 1.40 | 0.79 | NA |
PROCOLLAGEN 5-HYDROXY-L-LYSINE (CAS# 1190-94-9); (M+NA)+ | ME196254 | NA | 1.88 | 0.75 | 0.89 | 0.91 | 0.94 | NA | NA | 3.47 | 0.93 | NA | 0.73 | NA | NA | NA | 0.81 | NA | 0.95 | 0.41 | 1.26 | NA | 1.38 | 0.54 | 1.69 | 1.10 | NA | 0.71 | 0.86 | NA | NA | 0.82 | NA | 0.79 | 0.42 | 1.16 | 1.21 | 0.51 | NA | 0.40 | 0.85 | 1.38 | NA | NA | 1.88 | 0.51 | 0.73 | NA |
N-ACETYL-DL-METHIONINE (CAS# 1115-47-5); (M+NA)+ | ME196181 | 1.41 | NA | 0.97 | 0.62 | 0.42 | 1.02 | 1.82 | 2.70 | 0.92 | 0.67 | 0.99 | 1.19 | NA | NA | 1.02 | NA | NA | 0.74 | NA | 1.05 | NA | 1.40 | 0.43 | 1.22 | 1.63 | NA | 1.35 | NA | NA | NA | 0.92 | NA | 1.12 | NA | 1.07 | 0.86 | NA | 1.18 | 0.66 | 0.61 | NA | 0.97 | 0.56 | 0.89 | 0.74 | 0.96 | NA |
N-ACETYL-DL-SERINE (CAS# 97-14-3); (M+H)+ | ME196182 | NA | NA | 2.32 | 0.66 | NA | 0.32 | NA | NA | NA | 1.61 | NA | 0.59 | 1.01 | 0.60 | 0.38 | NA | 0.69 | NA | 6.11 | 0.29 | 1.16 | 1.10 | NA | NA | 0.62 | NA | 1.78 | NA | NA | NA | 0.47 | NA | 0.56 | NA | NA | 0.46 | 0.96 | 0.34 | NA | NA | NA | NA | 0.77 | 1.14 | 0.32 | 0.66 | NA |
CORTISONE (CAS# 53-06-5); (M+H)+ | ME196007 | NA | 0.42 | 0.90 | NA | 0.98 | 1.04 | NA | NA | 0.81 | 0.97 | 0.87 | 1.60 | NA | NA | 0.92 | 0.84 | 0.58 | 0.85 | 1.14 | 1.72 | 0.97 | 0.75 | NA | 1.01 | 1.02 | NA | 1.08 | 0.98 | 0.72 | NA | 1.09 | 0.85 | 1.16 | 1.20 | 0.90 | 0.94 | 0.61 | 1.53 | 0.87 | 0.89 | 0.95 | 1.85 | NA | 0.96 | 1.13 | 1.04 | NA |
CYSTATHIONINE (CAS# 56-88-2); (M+H)+[-H2O] | ME196016 | NA | NA | 1.61 | 0.67 | 0.66 | 1.08 | 0.19 | NA | 1.55 | 0.83 | 1.38 | 0.17 | NA | NA | 0.21 | 0.99 | NA | 0.48 | NA | 1.43 | 1.25 | NA | 0.45 | NA | 1.51 | 1.41 | 0.54 | 1.07 | NA | NA | 0.28 | 0.50 | 1.72 | 0.80 | 0.82 | 2.69 | 1.24 | 0.71 | 1.13 | NA | 0.87 | 1.93 | NA | NA | 0.10 | NA | NA |
DEOXYCHOLIC ACID (CAS# 83-44-3); (M+NA)+ | ME196032 | 0.99 | 1.83 | 0.78 | 1.16 | 0.65 | 1.25 | NA | NA | 1.15 | 1.27 | 0.70 | 1.02 | 0.54 | NA | 1.41 | NA | 0.66 | 0.96 | 0.58 | 1.09 | 0.95 | NA | 1.03 | NA | 1.45 | 1.09 | 0.86 | NA | 0.43 | 1.23 | 1.07 | 0.59 | 1.56 | 0.58 | NA | 0.79 | 0.97 | 0.76 | 0.72 | 0.37 | 0.87 | NA | 0.94 | 0.87 | NA | 1.64 | NA |
GLUCOSE (CAS# 50-99-7); (2M+NA)+[-H2O] | ME196062 | 1.43 | 1.55 | 1.36 | 1.00 | 0.83 | 0.76 | 1.17 | 0.85 | 0.55 | 1.45 | 1.32 | NA | NA | 0.28 | 0.36 | 0.34 | 0.47 | 0.59 | 0.32 | 0.58 | 1.17 | 0.56 | 0.35 | NA | 0.73 | 0.30 | 0.35 | 0.41 | 0.28 | 0.87 | 1.48 | 4.06 | 1.22 | 0.75 | 0.34 | 1.56 | 5.03 | 0.62 | 0.52 | 0.24 | 0.65 | 0.18 | NA | 0.46 | NA | 1.20 | NA |
GLUCOSE (CAS# 50-99-7); (2M+NA)+ | ME196061 | 1.68 | NA | NA | 1.83 | 0.64 | 1.36 | NA | NA | 1.02 | 0.97 | 1.05 | 0.90 | 1.04 | 0.65 | 1.05 | NA | 1.49 | 0.48 | 0.64 | 0.73 | 1.23 | 1.60 | NA | NA | 1.20 | 1.01 | 0.39 | 0.34 | 1.17 | 0.39 | 1.50 | 0.48 | 0.37 | 0.68 | NA | 1.44 | 0.62 | 1.10 | 0.51 | 1.04 | 0.82 | 1.23 | 0.55 | 1.58 | 1.28 | 1.40 | NA |
SUBERIC ACID (CAS# 505-48-6); (M+NA)+ | ME196298 | 0.88 | 1.21 | 1.15 | 1.28 | 0.47 | 0.91 | 1.14 | 1.20 | 1.04 | 0.62 | 1.72 | 0.85 | NA | 0.56 | 0.79 | 0.81 | 1.09 | 1.08 | 0.64 | 1.38 | 1.14 | 0.94 | 0.38 | 1.60 | 1.48 | NA | 0.77 | 0.21 | NA | NA | 0.90 | 1.35 | 1.01 | 0.87 | 1.16 | 1.08 | 1.28 | 1.53 | 0.41 | 0.91 | 1.22 | 0.85 | 1.12 | 0.62 | 1.02 | 0.43 | NA |
URSODIOL (CAS# 128-13-2); (M+NA)+ | ME196333 | 1.00 | 1.78 | 0.79 | 1.17 | 0.65 | 1.24 | NA | NA | 1.16 | 1.28 | 0.66 | 0.98 | 0.55 | NA | 1.42 | NA | 0.66 | 0.95 | 0.64 | 1.09 | 0.96 | NA | 1.04 | NA | 1.44 | 1.05 | 0.89 | NA | 0.44 | 1.24 | 1.07 | 0.59 | 1.57 | 0.54 | NA | 0.80 | 0.98 | 0.71 | 0.74 | 0.33 | 0.85 | NA | 0.94 | 0.88 | NA | 1.65 | NA |
IBUPROFEN CARBOXYLIC ACID (CAS# 15935-54-3); (M+NA)+ | ME196098 | NA | 1.48 | 0.03 | 1.02 | 0.02 | NA | NA | NA | 0.02 | 0.04 | 0.04 | 0.18 | NA | NA | 1.69 | 0.01 | 2.27 | 0.10 | 0.17 | 0.04 | 0.02 | 0.01 | 0.03 | NA | 0.06 | NA | NA | NA | NA | NA | NA | 0.05 | NA | 0.02 | NA | 2.12 | 8.41 | NA | NA | 1.46 | NA | 0.01 | NA | NA | 0.23 | 0.02 | NA |
N-ACETYL-L-PHENYLALANINE (CAS# 2018-61-3); (M+NA)+ | ME196193 | 2.61 | 2.16 | 0.99 | 0.88 | 1.02 | 0.62 | 0.71 | 1.02 | NA | 1.05 | 0.58 | 0.68 | 1.03 | NA | 0.95 | NA | 1.18 | NA | 0.68 | NA | 1.68 | NA | 0.68 | NA | 1.19 | NA | 0.55 | NA | NA | NA | 1.75 | 0.73 | 1.65 | 0.75 | 0.67 | NA | 0.74 | 0.70 | 0.74 | 0.93 | 0.69 | 0.68 | NA | 0.96 | NA | 0.73 | NA |
PROLINE (CAS# 147-85-3); (M+NA)+ | ME196258 | 2.28 | 1.94 | 1.81 | NA | 1.18 | 0.63 | 0.70 | 3.53 | 1.61 | 1.50 | 0.74 | 0.70 | 2.79 | 0.32 | 1.49 | 1.13 | 1.26 | 0.54 | 1.11 | 0.83 | 0.30 | 0.36 | 2.95 | 0.40 | 1.32 | 0.86 | 0.38 | 0.44 | 0.29 | 0.40 | 1.50 | 0.79 | 0.76 | 0.94 | 1.31 | 0.74 | 0.61 | 0.50 | 0.42 | 0.57 | 1.21 | 0.54 | 0.78 | 0.64 | 0.43 | 0.41 | NA |
TYROSINE (CAS# 60-18-4); (M+NA)+ | ME196325 | 0.91 | 2.80 | 0.89 | 1.01 | 0.64 | 0.76 | 0.38 | 1.02 | 0.94 | 1.39 | 0.91 | 1.43 | NA | 0.72 | 0.76 | 0.82 | 1.11 | 0.59 | 0.60 | 1.07 | 1.12 | 0.74 | 1.32 | 0.89 | 1.32 | NA | 1.09 | 0.43 | 0.87 | 0.36 | 1.53 | 0.97 | 1.29 | 0.92 | 1.18 | 1.71 | 0.71 | NA | 0.69 | 0.97 | 1.00 | 1.42 | NA | 1.06 | 0.80 | 0.51 | NA |
CITRATE (CAS# 77-92-9); (M+NA)+ | ME195997 | 0.44 | 3.32 | 0.27 | 0.30 | 0.55 | 1.65 | NA | 0.59 | 1.07 | 0.29 | 0.86 | 1.00 | 0.58 | NA | 0.80 | 0.14 | 0.59 | 0.67 | 0.44 | 0.98 | 0.92 | 1.15 | NA | 1.00 | 1.03 | NA | 1.90 | NA | 1.05 | NA | 1.13 | 0.48 | 1.42 | 1.78 | 1.07 | 1.03 | NA | 1.56 | NA | 0.13 | 0.69 | 1.98 | 0.27 | 1.18 | 0.72 | 1.09 | NA |
RAC-GLYCEROL 1-MYRISTATE (CAS# 75685-84-6); (M+NA)+ | ME196274 | NA | 1.22 | 0.65 | 1.08 | 0.77 | 0.83 | 1.00 | 0.96 | 1.31 | 0.97 | 0.84 | 1.44 | 0.83 | 0.76 | 1.03 | 1.16 | NA | 0.79 | 0.64 | 1.28 | 1.37 | 1.18 | 0.76 | 0.74 | 0.81 | 0.65 | 0.88 | 1.31 | 0.67 | 1.41 | 1.15 | 1.37 | 1.14 | 1.37 | 0.47 | 0.88 | 1.02 | 0.46 | NA | 1.14 | 0.85 | NA | 0.84 | 0.64 | 0.60 | 1.29 | NA |
PARAXANTHINE (CAS# 611-59-6); (M+NA)+ | ME196244 | 0.19 | 0.60 | 1.31 | 1.20 | 1.02 | 1.47 | 0.58 | 0.16 | 1.22 | 0.98 | 0.60 | 1.19 | 0.27 | 0.23 | 0.51 | 1.25 | 1.62 | 1.14 | 0.51 | 1.01 | 1.07 | 0.63 | 1.08 | 0.64 | 0.92 | 1.82 | 1.40 | 0.59 | 0.38 | 0.72 | 1.45 | 0.52 | 2.27 | 0.98 | 0.89 | 0.95 | 0.46 | 0.85 | 0.91 | 0.68 | 0.82 | 1.53 | 1.11 | 1.88 | 0.55 | 1.14 | NA |
PHENYLALANINE (CAS# 63-91-2); (M+H)+ | ME196245 | 1.15 | 0.38 | 1.07 | 0.40 | 1.20 | 1.33 | 1.21 | 0.24 | 0.86 | 2.28 | 0.45 | 0.99 | 0.34 | 0.43 | 1.25 | 0.30 | 0.41 | 0.60 | 0.86 | 0.31 | 1.06 | 0.29 | 0.85 | 3.51 | 1.67 | NA | 0.72 | 0.44 | 0.16 | 0.19 | 1.54 | 0.72 | 1.41 | 1.64 | 1.93 | 2.55 | 0.69 | 0.16 | 0.46 | 2.02 | 0.54 | 0.50 | 0.22 | 0.75 | 1.41 | 0.26 | NA |
L-ORNITHINE (CAS# 70-26-8); (M+H)+ | ME196126 | 0.68 | 1.26 | 1.17 | 1.82 | 1.00 | 0.68 | 0.67 | 0.90 | 0.66 | 0.96 | 1.18 | 0.78 | 1.63 | 0.95 | 0.83 | 0.88 | 0.97 | 0.51 | 0.57 | 0.65 | 0.77 | 0.85 | 1.15 | 1.59 | 1.66 | 1.05 | 1.12 | 0.60 | 0.41 | 0.58 | 1.19 | 0.85 | 1.26 | 1.14 | 1.41 | 2.27 | 0.72 | 0.49 | 0.65 | 1.07 | 0.99 | 1.09 | 0.50 | 1.12 | 0.54 | 0.57 | NA |
MONO-METHYL GLUTARATE (CAS# 1501-27-5); (M+NA)+ | ME196167 | NA | 1.04 | 1.18 | 1.15 | 0.42 | 0.63 | 0.68 | 1.05 | 0.85 | 0.78 | 1.06 | 0.77 | 0.89 | 0.56 | 0.73 | NA | 1.08 | 0.67 | 1.28 | 1.02 | 1.12 | 0.93 | 0.39 | 2.54 | 1.47 | NA | 1.34 | NA | 0.46 | NA | 0.81 | NA | 1.61 | 1.03 | 1.22 | 1.41 | 1.18 | 1.17 | 0.44 | NA | 1.40 | 1.06 | NA | 0.69 | NA | 0.73 | NA |
CREATINE (CAS# 57-00-1); (M+H)+ | ME196009 | 1.07 | 0.88 | 0.68 | 0.83 | 0.47 | 0.76 | NA | NA | 0.65 | 0.94 | 0.68 | 1.16 | 0.30 | 0.29 | 1.22 | 0.95 | 1.75 | 0.84 | 1.28 | 2.27 | 1.57 | 2.05 | 0.86 | NA | 1.18 | 1.26 | 0.39 | 0.96 | NA | 0.67 | 0.56 | 0.97 | 0.51 | 1.00 | 1.82 | 1.58 | 0.91 | 0.17 | NA | 1.52 | 1.19 | 0.79 | 1.64 | NA | 1.63 | NA | NA |
CHOLINE (CAS# 62-49-7); M+ | ME195990 | 0.83 | NA | 1.93 | 3.37 | NA | 0.73 | 0.60 | NA | 1.53 | 0.27 | 0.40 | 0.57 | NA | NA | 0.74 | 0.97 | 0.72 | 0.48 | 1.40 | NA | 0.51 | NA | 0.41 | 0.99 | 1.95 | 0.35 | 1.56 | NA | 0.34 | NA | 0.73 | 1.23 | 1.30 | 0.41 | NA | 1.43 | 0.72 | 2.48 | 0.67 | NA | 0.72 | NA | 0.95 | NA | NA | NA | NA |
GAMMA-LINOLENIC ACID (CAS# 506-26-3); (M+NA)+ | ME196058 | NA | NA | 0.68 | 1.92 | 0.43 | 1.15 | 2.81 | NA | 0.33 | 0.49 | 0.41 | 0.59 | 0.50 | 0.81 | 0.97 | 0.51 | 3.07 | 2.57 | 0.59 | 0.42 | 0.78 | 0.08 | 0.53 | NA | 0.53 | 2.58 | 1.59 | 0.43 | 0.81 | 1.99 | 0.22 | 3.33 | 0.60 | 0.65 | 0.38 | 0.08 | 0.85 | 0.18 | 0.08 | 0.41 | 1.66 | NA | NA | 0.47 | NA | 3.62 | NA |
ALPHA-TOCOPHEROL (CAS# 59-02-9); (M+H)+ | ME195959 | 1.02 | 1.19 | 1.27 | 1.08 | 0.99 | 0.96 | 0.64 | 1.12 | 0.87 | 1.04 | 1.45 | 0.96 | 1.32 | 0.83 | 0.90 | 1.10 | 1.36 | 0.78 | 1.01 | 1.10 | 0.85 | 0.99 | 0.96 | 0.92 | 1.32 | 0.30 | 1.00 | 0.77 | 0.58 | 0.46 | 1.00 | 0.86 | 0.93 | 0.89 | 1.29 | 1.07 | 1.38 | 0.92 | 0.90 | 0.82 | 0.76 | 1.78 | 0.55 | 1.18 | 0.65 | 0.71 | NA |
JASMONIC ACID [ISTD] (CAS# 77026-92-7); (M+H)+ | ME196109 | 0.72 | 1.13 | 1.18 | 1.07 | 0.94 | 1.01 | 0.63 | 0.92 | 0.90 | 0.93 | 1.14 | 0.99 | 1.19 | 0.86 | 1.03 | 0.75 | 1.12 | 0.97 | 0.83 | 1.06 | 1.01 | 1.09 | 0.64 | 1.44 | 1.17 | 0.85 | 0.90 | 0.97 | 0.89 | 0.70 | 1.11 | 0.88 | 1.04 | 0.98 | 1.23 | 1.25 | 0.95 | 1.25 | 0.79 | 1.01 | 0.99 | 1.22 | 0.91 | 1.06 | 0.84 | 0.97 | NA |
16:0 LYSO PC (CAS# 17364-16-8); (M+NA)+ | ME195873 | 0.20 | 0.40 | 2.20 | 1.04 | 0.50 | 0.78 | 0.88 | 0.31 | 1.52 | 1.29 | 1.27 | 0.85 | 0.81 | 0.64 | 1.41 | 0.39 | 0.56 | 0.56 | 2.02 | 0.90 | 0.80 | 1.77 | 0.53 | 2.74 | 2.12 | 0.43 | 0.51 | 0.18 | 0.46 | 0.36 | 1.33 | 0.62 | 0.49 | 0.61 | 1.68 | 0.71 | 1.66 | 0.60 | 0.28 | 0.35 | 1.12 | 0.59 | 0.73 | 1.50 | 0.66 | 0.48 | NA |
1-METHYLADENOSINE (CAS# 15763-06-1); (M+H)+ | ME195862 | 1.54 | 1.15 | 0.59 | 1.83 | 0.77 | 1.39 | NA | 1.87 | 1.17 | 0.91 | 0.89 | 0.96 | 0.40 | 0.41 | 0.47 | 0.52 | 1.23 | 1.22 | 1.06 | 0.82 | 0.97 | 0.72 | 0.39 | 0.36 | 0.97 | 1.69 | 0.72 | 0.93 | 0.72 | 0.86 | 0.83 | 2.25 | 0.86 | 1.32 | 0.30 | 0.64 | 0.75 | 2.60 | 0.81 | 0.44 | 0.97 | 0.66 | 2.27 | 0.94 | 0.85 | 1.73 | NA |
GIBBERELLIC ACID [ISTD] (CAS# 77-06-5); (M+NA)+ | ME196059 | 0.78 | 1.12 | 1.02 | 1.13 | 0.88 | 1.08 | NA | 0.98 | 0.89 | 0.98 | 1.06 | 1.01 | 1.18 | 0.92 | 1.06 | 0.75 | 1.15 | 0.84 | 0.84 | 0.97 | 1.06 | 0.93 | 0.65 | 1.36 | 1.10 | NA | 0.98 | 0.99 | 0.97 | NA | 1.02 | 0.85 | 0.99 | 1.03 | 1.10 | 1.30 | 0.94 | 1.40 | 0.90 | 1.00 | 0.98 | 0.86 | NA | 1.04 | 0.84 | 0.92 | NA |
D-ORNITHINE (CAS# 348-66-3); (M+H)+ | ME196023 | 0.67 | 1.25 | 1.13 | 1.80 | 1.00 | 0.64 | 0.66 | 0.89 | 0.66 | 0.95 | 1.16 | 0.97 | 1.61 | 0.94 | 0.78 | 0.87 | 0.91 | 0.53 | 0.56 | 0.64 | 0.76 | 0.84 | 1.13 | 1.57 | 1.63 | 0.93 | 1.11 | 0.59 | 0.41 | 0.57 | 1.18 | 0.84 | 1.24 | 1.36 | 1.39 | 2.24 | 0.74 | 0.49 | 0.65 | 1.14 | 0.95 | 1.24 | 0.49 | 1.11 | 0.66 | 0.56 | NA |
D-PSICOSE (CAS# 551-68-8); (2M+NA)+[-H2O] | ME196025 | 1.26 | 1.61 | 1.30 | 1.03 | 0.50 | 0.79 | 1.21 | 0.88 | 0.57 | 1.59 | 1.36 | NA | NA | 0.17 | 0.29 | 0.18 | 0.49 | 0.51 | 0.33 | 0.60 | 1.21 | 0.58 | 0.36 | NA | 0.70 | 0.31 | 0.32 | 0.42 | 0.29 | 0.90 | 1.53 | 4.33 | 1.07 | 0.82 | 0.35 | 1.69 | 5.20 | 0.64 | 0.54 | 0.20 | 0.67 | 0.19 | NA | 0.48 | NA | 1.24 | NA |
CIS-ZEATIN (CAS# 1637-39-4); (M+H)+ | ME195994 | 0.80 | 1.08 | 1.08 | 1.08 | 0.94 | 1.02 | 0.75 | 0.89 | 0.87 | 0.90 | 1.36 | 0.93 | 1.15 | 0.90 | 1.01 | 0.78 | 1.09 | 1.03 | 0.88 | 0.96 | 1.17 | 1.03 | 0.62 | 1.36 | 1.13 | 1.00 | 0.91 | 0.93 | 0.90 | 0.82 | 1.09 | 0.98 | 1.00 | 0.99 | 1.17 | 1.28 | 0.95 | 1.22 | 0.78 | 0.90 | 1.02 | 1.05 | 1.04 | 1.03 | 0.76 | 0.93 | NA |
QUINOLIN-2-OL (CAS# 59-31-4); (M+H)+ | ME196272 | NA | NA | NA | 2.07 | NA | 0.79 | 1.35 | 1.05 | NA | 0.97 | 0.54 | 0.55 | NA | NA | 0.95 | 1.14 | 0.99 | 0.48 | NA | NA | NA | 1.62 | 0.58 | NA | 0.87 | 0.66 | 0.89 | 0.60 | NA | NA | 1.30 | 0.70 | NA | 1.21 | NA | 0.84 | 0.56 | 1.01 | 0.79 | NA | 1.04 | 1.99 | 0.52 | 1.45 | NA | 1.61 | NA |
ZEATIN [ISTD] (CAS# 13114-27-7); (M+H)+ | ME196342 | 0.80 | 1.08 | 1.08 | 1.08 | 0.94 | 1.02 | 0.75 | 0.89 | 0.87 | 0.90 | 1.36 | 0.93 | 1.15 | 0.90 | 1.01 | 0.78 | 1.09 | 1.03 | 0.88 | 0.96 | 1.17 | 1.03 | 0.62 | 1.36 | 1.13 | 1.00 | 0.91 | 0.93 | 0.90 | 0.82 | 1.09 | 0.98 | 1.00 | 0.99 | 1.17 | 1.28 | 0.95 | 1.22 | 0.78 | 0.90 | 1.02 | 1.05 | 1.04 | 1.03 | 0.76 | 0.93 | NA |
PURINE (CAS# 120-73-0); (M+H)+ | ME196264 | 0.04 | 0.41 | 0.92 | 1.89 | 0.18 | 1.82 | 0.55 | 0.09 | 0.15 | 0.59 | 0.64 | 1.12 | 2.43 | 0.18 | 1.36 | 0.78 | 1.69 | 1.24 | 0.25 | 0.39 | 1.91 | 0.99 | 0.16 | 0.11 | 1.26 | 0.42 | 1.65 | 0.33 | 0.42 | 0.28 | 0.55 | 0.16 | 1.00 | 1.49 | 1.55 | 2.92 | 0.96 | 0.44 | 0.47 | 0.28 | 1.10 | 3.45 | NA | 1.06 | 0.41 | 0.13 | NA |
RAFFINOSE (CAS# 512-69-6); (M+NA)+ | ME196276 | 1.17 | 1.11 | 1.41 | 0.38 | 0.43 | 0.61 | 1.16 | 0.42 | 0.69 | NA | NA | 0.60 | NA | NA | 1.14 | 0.37 | NA | NA | NA | NA | 4.11 | 0.46 | NA | NA | 0.63 | NA | 0.59 | 0.42 | NA | NA | NA | 0.65 | 0.45 | 0.62 | NA | NA | 2.06 | NA | 0.69 | 0.35 | 2.37 | NA | 0.56 | 0.39 | 0.53 | NA | NA |
ADIPIC ACID (CAS# 124-04-9 ); (M+NA)+ | ME195953 | NA | 1.06 | 1.20 | 1.22 | 0.43 | 0.64 | 0.56 | 1.07 | 0.87 | 0.79 | 1.01 | 0.77 | 0.91 | 0.48 | 0.71 | NA | 1.10 | 0.53 | 1.30 | 1.04 | 1.09 | 0.95 | 0.39 | 2.58 | 1.45 | NA | 1.33 | NA | 0.46 | NA | 0.79 | NA | 1.63 | 1.04 | 1.24 | 1.43 | 1.20 | 1.19 | 0.45 | NA | 1.43 | 1.08 | NA | 0.66 | NA | 0.71 | NA |
ALPHA-LINOLENIC ACID (CAS# 463-40-1); (M+NA)+ | ME195958 | NA | NA | 0.68 | 1.92 | 0.43 | 1.15 | 2.81 | NA | 0.33 | 0.49 | 0.41 | 0.59 | 0.50 | 0.81 | 0.97 | 0.51 | 3.07 | 2.57 | 0.59 | 0.42 | 0.78 | 0.08 | 0.53 | NA | 0.53 | 2.58 | 1.59 | 0.43 | 0.81 | 1.99 | 0.22 | 3.33 | 0.60 | 0.65 | 0.38 | 0.08 | 0.85 | 0.18 | 0.08 | 0.41 | 1.66 | NA | NA | 0.47 | NA | 3.62 | NA |
EPINEPHRINE (CAS# 51-43-4); (M+H)+[-H2O] | ME196046 | NA | 1.77 | 1.19 | 1.50 | 0.47 | 0.63 | NA | NA | 1.13 | 1.28 | 1.03 | 0.71 | NA | NA | 1.30 | 0.29 | 1.70 | NA | 0.38 | 1.09 | 0.18 | 1.35 | 1.56 | NA | 1.29 | 1.16 | 0.38 | NA | NA | 0.55 | 1.21 | NA | 0.95 | NA | 1.20 | NA | 0.87 | NA | 1.51 | 0.37 | 0.79 | NA | 0.48 | 0.40 | 0.79 | 0.15 | NA |
CORTISONE (CAS# 53-06-5); (M+NA)+ | ME196008 | 0.60 | 0.61 | 0.70 | 0.72 | 0.88 | 1.12 | 0.69 | 0.93 | 0.99 | 0.98 | 0.98 | 1.53 | 0.67 | NA | 0.90 | 0.67 | 1.07 | 1.13 | 1.11 | 1.41 | 0.77 | 0.96 | NA | NA | 1.00 | 1.15 | 1.04 | 1.13 | 1.07 | 0.57 | 0.94 | 1.16 | 0.89 | 1.16 | 0.87 | 0.98 | 0.57 | 2.22 | 0.83 | 0.78 | 0.87 | 1.59 | 1.60 | 1.25 | 1.20 | 1.30 | NA |
THEOBROMINE (CAS# 83-67-0); (M+NA)+ | ME196307 | NA | 2.48 | 0.88 | 1.47 | NA | 1.24 | 0.80 | 0.76 | 4.21 | 0.50 | 0.90 | 0.54 | NA | NA | 0.41 | 1.41 | NA | 0.51 | 0.46 | 0.81 | 1.40 | 0.60 | NA | 1.07 | 0.90 | 1.11 | 1.44 | 0.58 | NA | 0.20 | 1.09 | NA | 2.78 | 0.67 | NA | 0.62 | 0.21 | NA | NA | 0.34 | 0.81 | NA | NA | NA | NA | 0.98 | NA |
HIPPURATE (CAS# 495-69-2); (M+H)+ | ME196085 | NA | 1.18 | 0.54 | NA | 0.44 | 0.33 | NA | 0.21 | 0.40 | 2.51 | 0.31 | 0.81 | 0.25 | 0.55 | 0.22 | 1.51 | 1.09 | 1.52 | 0.67 | 1.65 | NA | 0.15 | 3.67 | NA | 2.83 | NA | 0.42 | 0.40 | NA | NA | 1.10 | 1.63 | 1.39 | 0.80 | 0.53 | 0.49 | 0.36 | 3.07 | 0.33 | 0.41 | 1.43 | NA | NA | 0.13 | NA | 1.30 | NA |
PROLINE (CAS# 147-85-3); (M+H)+ | ME196257 | 1.10 | 0.02 | 1.39 | 1.19 | 0.91 | 0.67 | 0.01 | 0.02 | 1.14 | 1.02 | 1.25 | 1.03 | 1.15 | 0.79 | 0.93 | 1.31 | 1.12 | 0.83 | 1.11 | 0.92 | 1.11 | 0.70 | 1.40 | 1.52 | 1.30 | 1.19 | 0.91 | 0.78 | 0.50 | 0.82 | 1.32 | 1.10 | 0.71 | 1.38 | 1.54 | 1.66 | 0.90 | 0.74 | 0.61 | 0.86 | 1.01 | 0.97 | 1.00 | 1.05 | 0.81 | 0.31 | NA |
PANTOTHENATE (CAS# 79-83-4); (M+H)+ | ME196241 | 1.43 | 1.23 | 1.09 | 0.71 | 0.69 | 0.84 | 0.77 | 0.73 | 0.60 | 1.07 | 0.62 | 0.73 | 0.40 | 0.18 | 0.62 | 1.65 | 0.79 | 0.80 | 4.01 | 0.91 | 0.40 | 0.60 | 0.84 | 0.25 | 1.85 | 0.49 | 0.57 | 0.55 | 0.39 | 0.58 | 0.89 | 1.46 | 0.59 | 1.04 | 2.83 | 0.67 | 0.63 | 3.55 | 1.96 | 0.34 | 0.80 | 1.46 | NA | 1.47 | 0.47 | 1.12 | NA |
GLUCOSE (CAS# 50-99-7); (M+NA)+ | ME196063 | 0.46 | 1.89 | 1.50 | 0.81 | 0.79 | 0.60 | 0.10 | NA | 0.80 | 1.46 | 1.29 | 0.74 | 1.01 | 1.23 | 1.27 | 1.05 | 1.20 | 0.75 | 0.70 | 0.22 | 1.24 | 0.67 | NA | 2.26 | 1.49 | 0.18 | 0.78 | 0.71 | 0.92 | 0.67 | 1.13 | 1.17 | 1.51 | 1.18 | 0.75 | 1.57 | 0.71 | 0.24 | 0.63 | 0.57 | 0.92 | 1.28 | 1.07 | 1.41 | 0.20 | 1.37 | NA |
CIS-VACCENIC ACID (CAS# 506-17-2); (M+H)+ | ME195992 | 0.65 | 0.81 | 1.05 | 1.07 | 0.88 | 1.06 | 0.68 | 0.42 | 0.75 | 1.13 | 1.12 | 0.88 | 1.18 | 0.62 | 0.83 | 1.13 | 1.30 | 0.82 | 1.24 | 0.99 | 0.91 | 1.39 | 0.94 | 1.34 | 1.08 | 0.30 | 0.92 | 0.86 | 0.91 | 0.31 | 1.26 | 1.01 | 0.93 | 1.53 | 1.34 | 1.10 | 0.59 | 1.09 | 0.82 | 1.31 | 1.04 | 1.33 | 0.38 | 1.22 | 0.99 | 0.97 | NA |
CREATININE (CAS# 60-27-5); (M+NA)+ | ME196011 | 1.16 | NA | NA | 1.25 | NA | 1.12 | 0.35 | 0.65 | NA | 1.39 | NA | 1.85 | 1.11 | NA | NA | 0.97 | 0.80 | 0.71 | 0.74 | NA | NA | 1.86 | 0.86 | NA | 1.28 | NA | 0.65 | NA | NA | NA | 0.81 | 0.60 | 0.10 | 0.66 | 1.68 | NA | NA | 0.93 | 0.42 | NA | 1.28 | NA | NA | 0.98 | 1.19 | 1.08 | NA |
ELAIDIC ACID (CAS# 112-79-8); (M+NA)+ | ME196043 | 1.01 | 1.53 | 0.83 | NA | 0.58 | 0.80 | 1.07 | NA | 3.73 | 0.93 | NA | 0.94 | 0.75 | NA | 1.01 | 0.70 | 0.96 | 0.74 | 3.56 | 0.41 | 0.70 | 0.36 | 0.60 | 0.87 | 1.23 | NA | 0.98 | NA | 0.48 | NA | 0.39 | 0.25 | 0.91 | 1.72 | 0.55 | 1.00 | 0.77 | NA | 0.42 | 1.05 | 0.58 | 0.82 | NA | 0.66 | NA | NA | NA |
GLYCOCHENODEOXYCHOLATE (CAS# 640-79-9); (M+H)+[-H2O] | ME196073 | NA | NA | 0.56 | 0.46 | 2.24 | 0.24 | NA | NA | 2.10 | 0.18 | NA | 0.18 | NA | NA | 0.57 | 0.76 | 2.29 | 1.72 | NA | 0.93 | 0.14 | NA | 0.25 | NA | 1.03 | NA | NA | NA | 0.19 | 1.25 | 0.69 | NA | 4.40 | NA | 0.24 | NA | 1.14 | 0.15 | NA | NA | 2.64 | NA | NA | 0.74 | NA | NA | NA |
BETAINE (CAS# 107-43-7); (M+H)+ | ME195969 | 1.81 | 0.39 | 1.04 | 0.31 | 0.78 | 1.50 | 0.03 | 1.30 | 0.97 | 1.36 | 2.32 | 1.62 | 2.04 | 0.45 | 0.81 | 1.56 | 1.51 | 0.52 | 0.03 | 0.94 | 0.34 | 1.76 | 0.20 | 0.06 | 1.56 | 0.49 | 1.38 | 0.06 | 0.03 | 0.31 | 1.20 | 1.45 | 1.03 | 0.54 | 0.80 | 2.92 | 0.43 | 0.22 | 0.24 | 1.06 | 0.87 | 2.60 | 0.28 | 0.18 | 0.01 | 0.96 | NA |
CORTISOL (CAS# 50-23-7); (M+NA)+ | ME196004 | 1.37 | 0.82 | 0.77 | 0.72 | 0.87 | 1.12 | 0.77 | 1.14 | 0.98 | 0.67 | 1.32 | 1.35 | 0.45 | 0.46 | 1.05 | 0.57 | 0.76 | 1.14 | 1.40 | 1.73 | 0.64 | 0.94 | 0.49 | 1.42 | 1.03 | 0.83 | 1.22 | 0.71 | 0.82 | 0.82 | 1.23 | 1.22 | 1.11 | 1.23 | 0.70 | 0.82 | 0.58 | 1.86 | 0.74 | 0.53 | 0.71 | 1.43 | 1.54 | 1.02 | 1.84 | 1.28 | NA |
MELIBIOSE (CAS# 585-99-9); (M+NA)+ | ME196158 | 1.72 | 1.87 | 1.63 | 1.14 | 0.64 | 0.80 | 1.41 | 1.02 | 0.66 | 1.35 | 1.58 | 0.39 | 0.51 | 0.34 | 0.39 | 0.47 | 0.38 | 0.69 | 0.36 | 0.70 | 1.37 | 0.57 | 0.42 | 0.35 | 0.85 | 0.36 | 0.42 | 0.49 | 0.34 | 1.04 | 0.82 | 1.90 | 0.74 | 0.79 | 0.31 | 1.96 | 6.04 | 0.74 | 0.62 | 0.29 | 1.30 | 0.22 | 0.37 | 0.47 | 0.18 | 1.45 | NA |
L-CARNITINE (CAS# 541-15-1); (M+H)+ | ME196118 | 0.74 | 1.53 | NA | 1.08 | 0.41 | 0.69 | 0.30 | 0.82 | 0.84 | 0.83 | 1.02 | 1.12 | 1.49 | 2.50 | 0.82 | 0.58 | 0.70 | 1.16 | 0.44 | 1.95 | 1.02 | 1.31 | 0.97 | 0.57 | 1.13 | 0.74 | 0.94 | 1.04 | 0.35 | 0.28 | 0.96 | 1.30 | 0.83 | 1.38 | 1.30 | 1.73 | 0.62 | 0.45 | 1.01 | 0.73 | 1.29 | 0.85 | NA | 1.67 | 0.83 | NA | NA |
NORLEUCINE (CAS# 327-57-1); (M+H)+ | ME196220 | 0.75 | 1.16 | 1.03 | 1.10 | 0.90 | 1.05 | 0.79 | 0.74 | 0.73 | 0.93 | 0.94 | 0.99 | 1.67 | 0.68 | 0.73 | 0.78 | 1.11 | 0.88 | 0.93 | 1.10 | 0.96 | 1.05 | 0.68 | 1.35 | 1.34 | 1.29 | 0.79 | 0.72 | 0.98 | 0.66 | 1.20 | 1.15 | 0.97 | 1.32 | 1.29 | 1.41 | 0.71 | 0.73 | 0.71 | 1.11 | 0.99 | 1.09 | 0.99 | 1.29 | 0.68 | 1.04 | NA |
HYPOXANTHINE (CAS# 68-94-0); (M+H)+ | ME196094 | 0.91 | 1.26 | 0.99 | 1.55 | 0.92 | 1.50 | 1.01 | 0.84 | 1.01 | 0.94 | 1.69 | 0.79 | 1.41 | 0.89 | 0.73 | 0.72 | 0.82 | 1.18 | 0.73 | 0.87 | 0.69 | 0.83 | 1.16 | 0.92 | 0.89 | 1.70 | 0.88 | 0.82 | 0.22 | 0.49 | 1.23 | 1.42 | 0.92 | 1.08 | 1.19 | 1.14 | 0.73 | 1.24 | 0.85 | 0.73 | 1.06 | 0.76 | 1.56 | 1.02 | 0.92 | 0.91 | NA |
(-)-COTININE (CAS# 486-56-6); (M+H)+ | ME195857 | 1.01 | 1.95 | 0.39 | 0.97 | 0.45 | 0.65 | 0.30 | 0.35 | 0.18 | 0.31 | 0.29 | 0.33 | 10.74 | 9.27 | 0.69 | 2.37 | 0.78 | 0.87 | 1.39 | 0.62 | 0.22 | 0.24 | 0.23 | 1.16 | 0.87 | 1.02 | 0.56 | 0.84 | 0.10 | 0.04 | 0.30 | 3.57 | 0.51 | 3.67 | 0.60 | 0.28 | 0.31 | 0.96 | 0.38 | 0.23 | 0.41 | 0.95 | 0.57 | 0.27 | 0.49 | 0.30 | NA |
SEROTONIN (CAS# 50-67-9); (M+H)+ | ME196288 | 1.01 | 1.94 | 0.39 | 0.95 | 0.43 | 0.65 | 0.29 | 0.35 | 0.33 | 0.30 | 0.29 | 0.31 | 10.66 | 9.20 | 0.70 | 2.35 | 0.78 | 0.86 | 1.38 | 0.61 | 0.21 | 0.24 | 0.23 | 1.15 | 0.84 | 0.96 | 0.56 | 0.84 | 0.10 | 0.03 | 0.30 | 3.54 | 0.51 | 3.64 | 0.60 | 0.28 | 0.31 | 0.95 | 0.36 | 0.23 | 0.29 | 0.95 | 0.56 | 0.51 | 0.49 | 0.30 | NA |
PANTOTHENATE (CAS# 79-83-4); (M+NA)+ | ME196242 | 1.46 | 1.20 | 1.05 | 0.72 | 0.69 | 0.87 | 0.82 | 0.65 | 0.63 | 1.11 | 0.51 | 0.70 | 0.33 | 0.18 | 0.58 | 1.53 | 0.80 | 0.85 | 4.67 | 0.83 | 0.39 | 0.57 | 0.79 | 0.26 | 1.83 | 0.50 | 0.54 | 0.55 | 0.34 | 0.60 | 0.84 | 1.22 | 0.55 | 1.14 | 2.74 | 0.59 | 0.59 | 4.24 | 2.13 | 0.34 | 0.81 | 1.37 | 0.28 | 1.38 | 0.48 | 1.17 | NA |
MYO-INOSITOL (CAS# 87-89-8); (M+NA)+ | ME196168 | 0.56 | 1.77 | 1.82 | 0.45 | 0.64 | 0.22 | 0.12 | NA | 0.28 | 1.77 | 1.56 | 0.92 | 1.03 | 1.45 | 1.52 | 0.64 | 1.45 | 0.62 | 0.84 | 0.26 | 1.51 | 0.80 | NA | 2.41 | 1.35 | 0.21 | 0.75 | 0.15 | 1.12 | 0.81 | 0.87 | 1.42 | 0.93 | 0.81 | 0.80 | 1.90 | 0.85 | 0.29 | 0.25 | 0.69 | 1.12 | 1.56 | 1.30 | 1.07 | 0.24 | 1.67 | NA |
NORVALINE (CAS# 6600-40-4); (M+H)+ | ME196223 | 1.01 | 1.00 | 1.07 | 1.02 | 0.78 | 1.13 | 0.74 | 0.74 | 0.99 | 1.09 | 1.14 | 0.91 | 1.17 | 0.68 | 0.81 | 1.20 | 1.05 | 0.78 | 0.90 | 0.94 | 1.04 | 0.98 | 1.21 | 1.63 | 1.17 | 0.86 | 0.93 | 1.11 | 0.47 | 0.46 | 1.20 | 0.99 | 1.06 | 1.21 | 1.18 | 1.64 | 0.71 | 1.21 | 0.68 | 0.96 | 0.88 | 1.44 | 0.68 | 1.30 | 0.77 | 0.87 | NA |
UROCANATE (CAS# 104-98-3); (M+H)+ | ME196331 | NA | NA | 0.18 | 0.57 | 0.77 | 0.64 | 0.59 | NA | 1.25 | 1.94 | NA | 0.77 | NA | NA | 0.73 | NA | NA | 0.45 | 0.78 | 0.46 | 1.34 | 1.30 | 1.69 | 0.48 | NA | 1.28 | 0.50 | 1.74 | 0.19 | NA | 1.07 | 0.14 | NA | 1.21 | 3.43 | NA | 0.24 | 1.64 | 0.83 | 1.18 | 1.02 | 0.63 | 0.78 | 0.22 | NA | 1.87 | NA |
4-HYDROXY-3-METHOXYPHENYLGLYCOL (CAS# 67423-45-4); (M+H)+[-H2O] | ME195923 | 0.52 | NA | 1.24 | 0.89 | NA | 1.83 | 0.68 | 1.24 | 0.65 | 1.17 | 0.67 | 0.40 | NA | NA | 1.13 | 1.02 | 0.86 | 0.60 | 1.37 | 0.68 | 1.00 | 0.50 | NA | NA | 1.59 | NA | 0.83 | NA | 0.85 | NA | 0.99 | NA | 0.46 | 1.12 | NA | 1.02 | 1.03 | NA | NA | 0.81 | 0.70 | NA | NA | 1.72 | NA | 1.08 | NA |
TRYPTOPHAN (CAS# 73-22-3); (M+NA)+ | ME196322 | 0.82 | 1.25 | 1.00 | 1.14 | 0.75 | 1.01 | 0.74 | 0.83 | 0.87 | 1.03 | 0.99 | 1.13 | 1.37 | 0.76 | 0.91 | 0.86 | 1.08 | 0.86 | 0.81 | 1.03 | 0.95 | 0.97 | 1.01 | 0.98 | 1.25 | 1.01 | 0.98 | 0.75 | 1.03 | 0.66 | 1.09 | 1.18 | 0.94 | 1.02 | 1.20 | 1.29 | 0.77 | 1.17 | 0.79 | 0.87 | 0.96 | 1.52 | 1.17 | 1.28 | 0.85 | 0.97 | NA |
4-PYRIDOXATE (CAS# 82-82-6); (M+NA)+ | ME195930 | 1.64 | NA | 0.26 | NA | 0.65 | 0.37 | 0.51 | NA | NA | 2.58 | NA | 0.13 | NA | NA | NA | 1.04 | NA | NA | 1.53 | 0.85 | 0.82 | 0.58 | NA | NA | 0.48 | NA | 0.46 | 1.18 | NA | NA | NA | 1.70 | 0.50 | NA | 2.17 | NA | 0.39 | 1.97 | 0.19 | NA | NA | NA | NA | 1.68 | 0.47 | 0.76 | NA |
INDOLE-3-ACETALDEHYDE (CAS# 2591-98-2); (M+H)+ | ME196100 | 0.08 | 0.98 | 0.75 | 1.98 | 0.93 | 1.37 | 0.71 | 0.63 | 0.36 | 0.54 | 0.57 | 0.62 | 2.10 | 1.38 | 1.14 | 0.44 | 1.63 | 2.08 | 0.50 | 1.35 | 0.40 | 0.46 | 0.50 | 2.33 | 1.80 | 2.31 | 0.95 | 1.86 | 0.26 | 0.02 | 0.38 | 1.58 | 0.38 | 1.07 | 1.17 | 0.64 | 0.46 | 1.91 | 0.91 | 0.45 | 0.95 | 1.89 | 1.27 | 0.50 | 1.06 | 0.50 | NA |
PARAXANTHINE (CAS# 611-59-6); (M+H)+ | ME196243 | 4.74 | 0.58 | 1.03 | 1.00 | 1.48 | 0.75 | 0.49 | 0.18 | 1.77 | 0.93 | 2.20 | 0.61 | 0.32 | 0.18 | 0.30 | 0.37 | 0.59 | 2.85 | 1.01 | 0.53 | 0.53 | 0.42 | 0.91 | 0.36 | 0.75 | 0.87 | 0.56 | 1.29 | NA | 0.30 | 0.94 | 1.09 | 1.65 | 3.08 | 0.64 | 0.28 | 0.25 | 0.46 | 2.37 | 0.86 | 0.74 | 0.33 | 0.49 | 0.38 | 0.37 | 0.73 | NA |
L-TRYPTOPHAN-15N2 [ISTD] (CAS# ); (M+H)+ | ME196127 | 0.80 | 1.14 | 1.15 | 1.11 | 0.93 | 1.00 | 0.65 | 0.88 | 0.83 | 0.89 | 1.18 | 0.92 | 1.29 | 0.91 | 1.03 | 0.77 | 1.11 | 0.98 | 0.91 | 0.97 | 1.11 | 1.07 | 0.63 | 1.54 | 1.15 | 0.91 | 0.91 | 0.92 | 0.94 | 0.70 | 1.14 | 0.88 | 1.03 | 0.95 | 1.24 | 1.36 | 0.96 | 1.15 | 0.75 | 0.94 | 1.01 | 1.07 | 0.89 | 1.09 | 0.72 | 0.87 | NA |
S-ADENOSYL-L-HOMOCYSTEINE (CAS# 979-92-0); (M+H)+ | ME196280 | 0.79 | 1.24 | NA | 2.08 | NA | 0.76 | 1.53 | 2.81 | 1.02 | 0.73 | 0.41 | 0.80 | 0.91 | NA | 0.62 | NA | 0.44 | 0.63 | 0.99 | NA | 0.54 | 1.99 | 1.02 | NA | 0.44 | NA | 0.85 | NA | 0.61 | 0.48 | 0.81 | 1.70 | 1.34 | 1.61 | 0.37 | 1.30 | NA | NA | NA | NA | 0.67 | 0.68 | 0.43 | 0.72 | 0.49 | 1.90 | NA |
18:0 LYSO-PE (CAS# 69747-55-3); (2M+NA)+ | ME195878 | NA | NA | NA | 0.36 | 0.63 | 2.62 | NA | NA | NA | 0.11 | 0.78 | NA | 0.72 | NA | 0.72 | 0.20 | 0.22 | 0.58 | NA | 0.80 | 0.45 | NA | NA | NA | 1.88 | NA | 0.39 | NA | 0.37 | 0.25 | 0.47 | 3.19 | NA | 1.74 | 0.87 | NA | 0.63 | 5.18 | 0.51 | 0.34 | 0.61 | NA | 0.37 | 0.67 | NA | NA | NA |
GLYCOCHOLATE (CAS# 475-31-0); (M+NA)+ | ME196077 | 1.11 | NA | 1.18 | 0.44 | 1.38 | 2.37 | 0.59 | 0.66 | 4.97 | 0.45 | 0.73 | 0.54 | NA | NA | 0.45 | NA | 0.81 | 0.67 | 0.90 | NA | NA | 0.50 | NA | NA | 0.77 | NA | 0.44 | 0.26 | NA | 1.67 | 0.87 | 1.21 | 2.97 | 0.64 | 0.48 | 1.12 | 0.44 | NA | 0.92 | 1.29 | 2.61 | 0.30 | 0.05 | 0.67 | 0.63 | 0.13 | NA |
L-ARGININE (CAS# 74-79-3); (M+NA)+ | ME196116 | 1.13 | NA | 0.99 | 1.02 | 0.87 | 1.07 | 0.67 | NA | 0.88 | NA | 0.76 | 0.98 | NA | 0.88 | 0.83 | 0.76 | 1.11 | NA | 1.03 | 1.04 | 0.93 | 0.84 | NA | NA | 1.29 | 0.96 | 1.02 | NA | 0.91 | NA | 1.06 | 1.16 | 0.85 | 1.22 | 1.35 | 1.23 | 0.89 | 1.00 | 0.81 | 0.86 | 0.81 | NA | 0.97 | 1.18 | 1.06 | 0.91 | NA |
LAUROYLCARNITINE (CAS# 25518-54-1); (M+NA)+ | ME196133 | NA | NA | 1.26 | 0.35 | 1.11 | 0.54 | NA | 1.04 | 0.31 | 0.87 | 1.15 | 1.12 | 1.44 | 0.23 | 0.79 | 0.75 | 0.16 | 1.84 | 1.95 | 2.27 | 0.84 | 0.89 | 0.66 | 0.28 | 0.65 | NA | 0.61 | NA | 1.72 | 0.45 | 0.61 | 0.85 | 1.39 | 0.80 | 0.50 | 1.06 | 0.13 | 0.19 | 0.18 | 1.22 | 5.96 | NA | NA | 0.23 | 0.68 | 0.62 | NA |
INOSINE (CAS# 58-63-9); (M+NA)+ | ME196106 | 4.05 | 4.10 | 1.16 | 1.08 | 1.01 | 1.19 | 1.53 | 1.52 | 0.98 | 0.88 | 1.31 | 0.57 | 0.47 | 1.69 | 0.81 | 0.89 | 1.87 | 1.37 | 0.06 | 1.52 | 0.54 | 0.84 | 0.12 | 3.57 | 0.79 | 0.65 | 0.54 | 0.54 | 0.54 | 0.03 | 0.97 | 0.57 | 0.38 | 0.11 | 1.73 | 0.78 | 0.65 | 0.91 | 0.99 | 1.24 | 1.06 | 0.23 | 1.47 | 1.24 | 0.18 | 1.68 | NA |
ACETAMINOPHEN (TN TYLENOL) (CAS# 103-90-2); (M+NA)+ | ME195950 | 0.03 | 1.98 | 5.60 | 0.67 | 1.58 | 1.70 | 0.33 | 0.46 | 0.03 | NA | 0.06 | 0.05 | NA | NA | 1.16 | NA | 0.04 | 0.03 | 0.03 | 0.94 | 0.04 | 0.03 | NA | NA | 0.15 | NA | 5.42 | 0.05 | NA | 0.03 | 1.48 | 0.03 | 1.35 | 0.07 | 0.02 | 0.03 | 0.53 | NA | 0.05 | 0.02 | 3.19 | NA | NA | 0.04 | NA | 0.08 | NA |
LITHOCHOLIC ACID (CAS# 434-13-9); (M+NA)+ | ME196141 | NA | 0.76 | 1.39 | 1.22 | 0.78 | 1.05 | NA | NA | 1.35 | 0.35 | 1.06 | 3.56 | NA | 1.51 | 0.97 | 0.59 | 0.50 | 0.53 | 0.81 | NA | 0.18 | 0.74 | 0.67 | NA | 0.50 | NA | 0.60 | NA | NA | 2.30 | 0.71 | 0.46 | 0.90 | 0.24 | 1.76 | 0.99 | 0.98 | 2.03 | 0.55 | 0.52 | NA | NA | 0.38 | NA | NA | 0.76 | NA |
CAFFEINE (CAS# 58-08-2); (M+H)+ | ME195981 | 1.95 | 1.21 | 3.20 | 1.91 | 1.05 | 1.71 | 0.05 | 0.09 | 1.22 | 2.47 | 0.19 | 1.26 | 0.56 | 0.12 | 0.59 | 0.81 | 0.75 | 0.50 | 1.11 | 0.42 | 0.51 | 0.26 | 3.00 | 0.33 | 1.34 | 2.50 | 0.99 | 0.09 | NA | 0.25 | 1.80 | 0.51 | 2.26 | 0.85 | 1.35 | 0.15 | 0.67 | 0.29 | 1.04 | 0.20 | 0.83 | 0.14 | 0.20 | 0.26 | 0.13 | 0.71 | NA |
VALINE (CAS# 72-18-4); (M+NA)+ | ME196335 | 4.59 | 1.07 | 1.28 | 0.92 | 1.51 | 0.88 | 0.59 | 0.73 | 0.68 | 0.88 | 2.15 | 1.40 | 1.08 | 0.64 | 0.95 | 1.11 | 0.97 | 0.69 | 1.01 | 0.89 | 0.91 | 0.86 | 1.28 | NA | 1.02 | 0.68 | 1.04 | 0.93 | 0.76 | 0.53 | 0.81 | 0.73 | 0.78 | 0.98 | 1.14 | 0.82 | 0.61 | 1.40 | 1.23 | 0.96 | 0.92 | 1.07 | 0.61 | 0.95 | 0.66 | 0.73 | NA |
2-HYDROXYBUTYRATE (CAS# ); (M+NA)+ | ME195884 | NA | 0.45 | 0.99 | 1.35 | 0.73 | 1.09 | NA | NA | 0.46 | 0.78 | 0.58 | 0.60 | 1.00 | NA | 0.54 | 0.54 | 1.27 | 0.57 | NA | 0.70 | 0.94 | 2.51 | NA | 1.06 | 0.86 | NA | 1.59 | 0.62 | NA | NA | 1.50 | NA | 0.53 | 0.94 | 2.78 | 1.36 | NA | 1.29 | 1.00 | 0.98 | 1.90 | 1.53 | NA | NA | 0.22 | NA | NA |
5ALPHA-CHOLEST-7-EN-3BETA-OL (CAS# 80-99-9); (M+H)+[-H2O] | ME195946 | 0.89 | 1.18 | 1.10 | 1.05 | 0.80 | 1.12 | 0.88 | 1.10 | 0.87 | 1.00 | 1.16 | 1.04 | 1.79 | 1.03 | 0.96 | 0.96 | 1.48 | 0.74 | 0.84 | 0.97 | 0.83 | 1.06 | 0.95 | 1.47 | 1.20 | 0.60 | 1.02 | 0.68 | 0.74 | 0.44 | 1.08 | 0.88 | 1.05 | 1.04 | 1.17 | 1.26 | 0.76 | 0.65 | 0.82 | 1.10 | 0.82 | 1.57 | 0.80 | 1.26 | 1.16 | 0.78 | NA |
LEUCINE (CAS# 328-39-2); (M+H)+ | ME196134 | 0.33 | 1.20 | 1.06 | 1.13 | 0.93 | 1.09 | 0.82 | 0.77 | 0.54 | 0.96 | 0.75 | 1.02 | 1.72 | 0.70 | 0.76 | 0.81 | 1.15 | 0.91 | 0.72 | 1.13 | 1.00 | 1.09 | 0.70 | 1.40 | 1.38 | 1.33 | 0.82 | 0.34 | 1.01 | 0.69 | 1.24 | 1.19 | 1.00 | 1.23 | 1.33 | 1.45 | 0.74 | 0.76 | 0.55 | 0.95 | 1.03 | 1.13 | 1.02 | 1.34 | 0.71 | 1.07 | NA |
NORMETANEPHRINE (CAS# 0); (M+H)+[-H2O] | ME196222 | 0.52 | 1.28 | 1.09 | 1.09 | 0.77 | 1.01 | 0.54 | 0.83 | 0.68 | 1.19 | 1.28 | 0.78 | 1.26 | 0.76 | 0.93 | 1.04 | 0.96 | 0.62 | 0.85 | 0.91 | 1.21 | 0.62 | 1.28 | 1.58 | 1.38 | NA | 0.99 | 0.77 | 0.61 | 0.46 | 1.34 | 0.78 | 1.27 | 0.93 | 1.48 | 1.76 | 0.85 | 0.78 | 0.48 | 0.91 | 1.12 | 1.69 | 0.75 | 1.10 | 0.63 | 0.88 | NA |
LYSINE (CAS# 56-87-1); (M+H)+ | ME196146 | 0.71 | 1.10 | 0.97 | 1.16 | 0.75 | 1.09 | 0.54 | 0.72 | 0.61 | 1.23 | 1.21 | 1.09 | 1.25 | 0.75 | 0.98 | 0.97 | 0.86 | 0.74 | 0.71 | 0.80 | 0.96 | 1.09 | 1.16 | 1.49 | 1.33 | 1.15 | 1.00 | 0.71 | 0.53 | 0.80 | 1.40 | 0.85 | 1.18 | 1.19 | 1.29 | 1.40 | 0.75 | 0.75 | 0.62 | 0.97 | 0.92 | 1.09 | 0.74 | 1.38 | 0.89 | 0.80 | NA |
CORTISOL (CAS# 50-23-7); (M+H)+ | ME196003 | 1.26 | NA | 0.77 | 0.65 | 0.82 | 1.03 | 0.54 | 1.11 | 0.96 | 0.71 | 1.35 | 1.80 | 0.44 | NA | 0.99 | 0.46 | 0.73 | 0.95 | 1.34 | 1.58 | 0.63 | 1.09 | 0.54 | 1.56 | 1.08 | 0.64 | 1.23 | 0.62 | 0.72 | 0.58 | 1.19 | 1.08 | 1.11 | 1.11 | 0.66 | 0.87 | 0.51 | 1.51 | 0.67 | 0.57 | 0.90 | 1.69 | 1.36 | 1.12 | 1.66 | 1.07 | NA |
N-CYCLOHEXYLFORMAMIDE (CAS# 766-93-8); (M+NA)+ | ME196202 | NA | NA | 0.19 | 2.23 | 0.15 | 0.89 | 1.29 | NA | 0.16 | 0.30 | 0.23 | 1.32 | NA | NA | 0.17 | 0.19 | 0.81 | 2.59 | 0.11 | 0.20 | 1.30 | 0.14 | NA | NA | 0.21 | 3.64 | 1.59 | 0.26 | NA | 0.51 | 0.15 | 2.79 | 0.18 | 1.22 | 0.21 | 0.25 | NA | 2.14 | 0.11 | 0.11 | 1.39 | 0.17 | 1.57 | 0.21 | NA | 4.15 | NA |
INDOLE-3-ACETATE (CAS# 87-51-4); (M+NA)+ | ME196103 | 0.90 | 1.90 | 1.10 | 1.17 | 0.65 | 1.07 | 0.97 | 1.49 | 1.91 | 0.89 | 1.06 | 1.05 | 1.40 | 1.77 | 0.79 | 1.63 | 0.90 | 0.89 | 1.18 | 1.14 | 0.58 | 0.78 | 0.77 | 0.26 | 1.60 | 0.85 | 0.69 | 0.75 | 1.27 | 0.59 | 1.13 | 0.74 | 1.25 | 0.82 | 1.36 | 1.13 | 0.87 | 1.45 | 0.58 | 0.56 | 0.49 | 1.25 | 0.71 | 1.12 | 0.30 | 1.14 | NA |
5-AMINOPENTANOATE (CAS# 660-88-8); (M+H)+ | ME195936 | 1.54 | 0.33 | 1.26 | 0.43 | 0.66 | 1.27 | 0.02 | 1.14 | 0.82 | 1.18 | 1.97 | 1.38 | 1.73 | 0.39 | 0.68 | 1.32 | 1.27 | 0.44 | 0.03 | 0.81 | 0.97 | 1.49 | 0.17 | 2.49 | 1.35 | 0.41 | 1.19 | 1.71 | 0.02 | 0.26 | 1.02 | 1.23 | 0.56 | 1.30 | 0.68 | 2.47 | 0.91 | 0.18 | 0.21 | 0.85 | 0.74 | 2.20 | 0.30 | 1.58 | 0.01 | 1.34 | NA |
INOSINE (CAS# 58-63-9); (M+H)+ | ME196105 | 1.83 | 2.92 | 0.78 | 0.96 | 0.80 | 1.08 | 2.58 | 1.61 | 1.19 | 0.58 | 1.00 | 0.39 | NA | 1.52 | 0.81 | 0.87 | 1.85 | 2.59 | NA | 1.30 | 0.67 | 0.56 | 0.04 | 4.26 | 0.80 | 1.04 | 1.21 | 0.42 | 0.34 | NA | 0.71 | 1.01 | 0.20 | 0.07 | 1.36 | 0.47 | 0.45 | 0.67 | 0.83 | 1.11 | 0.98 | 0.14 | 2.29 | 0.82 | 0.07 | 1.13 | NA |
BIS(2-ETHYLHEXYL)PHTHALATE (CAS# 117-81-7); (M+H)+ | ME195974 | 0.63 | 0.86 | 0.67 | 1.61 | 0.45 | 1.16 | 1.48 | 0.95 | 0.83 | 1.09 | 1.00 | 1.46 | 0.97 | NA | NA | 0.65 | 1.38 | 0.66 | 1.16 | 1.05 | 0.97 | 1.14 | 0.96 | NA | 1.21 | NA | 1.11 | 0.37 | 0.55 | NA | 1.73 | 1.12 | 0.96 | 1.12 | 0.98 | NA | 0.52 | 0.67 | 0.96 | 0.80 | NA | 1.07 | NA | 1.06 | 1.09 | 1.08 | NA |
ISOLEUCINE (CAS# 73-32-5); (M+NA)+ | ME196108 | 0.66 | 2.36 | 1.10 | 0.90 | 0.76 | 0.62 | NA | NA | 1.19 | 0.94 | 0.93 | 0.63 | NA | 0.79 | NA | 0.84 | 1.09 | 0.85 | 0.94 | NA | 1.00 | 1.23 | NA | 1.46 | NA | NA | 0.60 | 1.04 | NA | 0.64 | 1.48 | 1.23 | NA | 0.61 | 1.41 | NA | 0.84 | 0.91 | 0.79 | 1.08 | 1.10 | 1.45 | 0.99 | NA | NA | 0.76 | NA |
CELLOBIOSE (CAS# 528-50-7); (M+NA)+ | ME195987 | 1.72 | 1.87 | 1.63 | 1.13 | 0.66 | 0.78 | 1.41 | 1.02 | 0.67 | 1.37 | 1.58 | 0.40 | 0.51 | 0.34 | 0.39 | 0.47 | 0.38 | 0.71 | 0.36 | 0.70 | 1.41 | 0.58 | 0.42 | 0.35 | 0.83 | 0.36 | 0.42 | 0.49 | 0.34 | 1.05 | 0.82 | 1.89 | 0.76 | 0.79 | 0.30 | 1.87 | 6.05 | 0.74 | 0.62 | 0.29 | 1.30 | 0.19 | 0.34 | 0.47 | 0.18 | 1.45 | NA |
3-METHYGLUTARIC ACID (CAS# 626-51-7); (M+NA)+ | ME195908 | NA | 1.04 | 1.18 | 1.19 | 0.42 | 0.63 | 0.68 | 1.04 | 0.85 | 0.77 | 1.05 | 0.77 | 0.89 | 0.56 | 0.73 | NA | 1.08 | 0.67 | 1.27 | 1.02 | 1.11 | 0.93 | 0.39 | 2.53 | 1.46 | NA | 1.34 | NA | 0.45 | NA | 0.81 | NA | 1.60 | 1.06 | 1.21 | 1.40 | 1.18 | 1.17 | 0.44 | NA | 1.40 | 1.06 | NA | 0.68 | NA | 0.73 | NA |
URIDINE (CAS# 58-96-8); (M+H)+ | ME196329 | NA | 1.39 | 0.71 | 1.32 | 0.88 | 1.24 | 0.86 | 1.26 | 0.16 | 1.17 | 0.43 | 0.82 | 1.37 | 0.63 | 0.70 | 0.69 | 1.15 | 0.85 | 0.69 | 1.02 | 0.79 | 0.88 | 0.58 | 1.73 | 0.97 | 2.43 | 1.17 | 1.06 | 0.97 | 0.31 | 0.99 | 0.98 | 0.55 | 1.26 | 1.47 | 0.79 | 0.69 | 2.24 | 0.52 | 0.81 | 0.68 | 2.02 | 0.65 | 1.93 | 1.34 | 1.05 | NA |
NICOTINAMIDE (CAS# 98-92-0); (M+H)+ | ME196214 | NA | 0.63 | 1.03 | 1.33 | 0.89 | 1.76 | NA | NA | 1.10 | 0.58 | 1.65 | 0.84 | 0.60 | 0.53 | 0.86 | 0.92 | 1.10 | 0.75 | 1.01 | NA | 1.16 | 1.24 | NA | 1.09 | 0.91 | NA | 1.09 | 1.58 | 0.29 | 0.55 | 0.61 | 0.98 | 0.76 | 1.14 | 1.19 | 0.85 | 0.73 | 0.75 | 0.88 | 0.63 | 1.30 | 2.35 | 1.02 | 1.18 | 1.08 | 0.99 | NA |
LYSINE (CAS# 56-87-1); (M+NA)+ | ME196147 | NA | 0.66 | 0.83 | 1.04 | 0.73 | NA | NA | NA | 0.90 | 1.46 | 1.29 | 1.34 | 1.25 | 0.76 | 1.23 | NA | 0.59 | 0.81 | 0.87 | 0.52 | 0.81 | 0.68 | 1.30 | NA | 1.35 | 1.29 | 1.26 | NA | 0.77 | 0.72 | 1.87 | 1.02 | 1.41 | 1.57 | NA | 0.54 | 0.66 | 0.93 | NA | NA | 0.81 | 0.42 | 0.78 | NA | 0.98 | NA | NA |
THEOBROMINE (CAS# 83-67-0); (M+H)+ | ME196306 | 0.85 | 0.90 | 1.60 | 1.59 | 0.75 | 1.12 | 0.16 | 0.46 | 1.39 | 0.52 | 0.32 | 0.42 | 0.24 | 0.23 | 0.26 | 1.35 | 0.35 | 0.91 | 0.40 | 0.79 | 0.53 | 1.27 | 0.45 | 1.24 | 1.13 | 1.22 | 0.49 | 0.15 | 0.56 | 0.22 | 2.42 | 0.73 | 3.05 | 2.04 | 0.32 | 1.34 | 0.88 | 1.04 | 0.51 | 0.66 | 1.71 | 0.25 | 1.14 | 1.12 | 0.54 | 1.33 | NA |
BILIVERDIN (CAS# 114-25-0); (M+H)+ | ME195972 | 0.43 | 0.41 | 1.01 | 1.52 | 0.89 | 1.08 | 0.40 | 0.66 | 0.79 | 1.04 | 0.87 | 0.83 | 0.56 | 0.44 | 1.06 | 0.67 | 1.21 | 1.04 | 0.77 | 0.71 | 0.73 | 0.98 | 0.63 | 1.01 | 0.90 | NA | 0.87 | 1.18 | 0.97 | 0.37 | 1.11 | 1.15 | 0.92 | 0.83 | 1.44 | 2.45 | 0.85 | 1.75 | 0.81 | 1.69 | 1.06 | 1.37 | 0.87 | 1.26 | 0.74 | 1.15 | NA |
FRUCTOSE (CAS# 57-48-7); (M+NA)+ | ME196054 | 0.54 | 2.23 | 1.59 | 0.82 | 0.54 | 0.65 | 0.11 | NA | 0.84 | 1.54 | 1.55 | 0.80 | 1.11 | 1.31 | 1.34 | 1.08 | 1.38 | 0.80 | 0.71 | 0.22 | 1.27 | 0.68 | NA | 2.31 | 1.14 | 0.18 | 0.64 | 0.12 | 0.99 | 0.68 | 1.14 | 1.23 | 0.79 | 1.21 | 0.85 | 1.61 | 0.76 | 0.24 | 0.46 | 1.01 | 0.98 | 1.31 | 1.10 | 1.47 | 0.20 | 1.46 | NA |
18:0 LYSO-PE (CAS# 69747-55-3); (M+NA)+ | ME195880 | NA | NA | 0.93 | NA | 0.58 | 1.56 | NA | 0.59 | 1.03 | 0.72 | 0.76 | 1.38 | NA | 0.55 | 0.73 | NA | 0.59 | 0.48 | 0.72 | 0.91 | NA | 0.82 | NA | NA | NA | 0.63 | 0.53 | 0.74 | NA | 0.62 | NA | 3.11 | 0.85 | 2.16 | NA | NA | 0.68 | 3.94 | 0.50 | 0.68 | 0.58 | NA | NA | 0.60 | NA | 0.85 | NA |
NORVALINE (CAS# 6600-40-4); M+[-CO2H] | ME196224 | 0.96 | 1.19 | 1.03 | 1.19 | 0.75 | 1.09 | 0.72 | 0.73 | 0.92 | 0.91 | 1.15 | 0.94 | 1.30 | 0.80 | 0.83 | 1.17 | 1.17 | 0.82 | 0.93 | 1.02 | 1.15 | 0.95 | 1.18 | 1.61 | 1.14 | 0.90 | 0.95 | 1.04 | 0.51 | 0.59 | 1.15 | 1.01 | 0.91 | 1.24 | 1.33 | 1.40 | 0.66 | 1.28 | 0.72 | 0.99 | 0.94 | 1.30 | 0.70 | 1.19 | 0.63 | 0.88 | NA |
BETAINE (CAS# 107-43-7); (M+NA)+ | ME195970 | 4.60 | 1.07 | 1.29 | 0.94 | 0.77 | 0.86 | 0.59 | 0.73 | 0.68 | 1.39 | 2.16 | 0.75 | 0.96 | 0.65 | 0.96 | 1.12 | 0.97 | 0.72 | 1.01 | 0.89 | 0.91 | 1.08 | 0.12 | NA | 1.02 | 0.68 | 0.79 | 0.94 | 0.08 | 0.72 | 0.84 | 0.76 | 0.76 | 0.91 | 1.10 | 0.82 | 0.61 | 4.90 | 1.23 | 0.96 | 0.86 | 0.90 | 0.62 | 0.95 | 2.40 | 0.75 | NA |
L-ARGININE (CAS# 74-79-3); (M+H)+ | ME196115 | NA | 0.70 | 1.06 | 0.88 | 0.97 | 1.64 | 0.48 | NA | 0.80 | 1.81 | 0.46 | 0.72 | 1.38 | 1.38 | 0.85 | 0.77 | 1.05 | 0.81 | 0.86 | 0.94 | 0.88 | 0.96 | 2.03 | 1.22 | 1.19 | 1.19 | 1.04 | 0.53 | 0.77 | 0.90 | 1.13 | 0.94 | 1.40 | 0.76 | 0.98 | 1.00 | 0.92 | 0.61 | 0.63 | 0.96 | 1.22 | 0.93 | 0.66 | 0.92 | 0.78 | 0.94 | NA |
Factors:
F1 | CASE_CONTROL:Case | Chemotherapy:N | Drug:Exemestane | Race:Black | TIMEPOINT:3 Month | Tamoxyfen:N | Taxane:N |
F2 | CASE_CONTROL:Case | Chemotherapy:N | Drug:Exemestane | Race:Black | TIMEPOINT:Baseline | Tamoxyfen:N | Taxane:N |
F3 | CASE_CONTROL:Case | Chemotherapy:N | Drug:Exemestane | Race:White | TIMEPOINT:3 Month | Tamoxyfen:N | Taxane:N |
F4 | CASE_CONTROL:Case | Chemotherapy:N | Drug:Exemestane | Race:White | TIMEPOINT:3 Month | Tamoxyfen:Y | Taxane:N |
F5 | CASE_CONTROL:Case | Chemotherapy:N | Drug:Exemestane | Race:White | TIMEPOINT:Baseline | Tamoxyfen:N | Taxane:N |
F6 | CASE_CONTROL:Case | Chemotherapy:N | Drug:Exemestane | Race:White | TIMEPOINT:Baseline | Tamoxyfen:Y | Taxane:N |
F7 | CASE_CONTROL:Case | Chemotherapy:N | Drug:Letrozole | Race:Black | TIMEPOINT:3 Month | Tamoxyfen:N | Taxane:N |
F8 | CASE_CONTROL:Case | Chemotherapy:N | Drug:Letrozole | Race:Black | TIMEPOINT:Baseline | Tamoxyfen:N | Taxane:N |
F9 | CASE_CONTROL:Case | Chemotherapy:N | Drug:Letrozole | Race:White | TIMEPOINT:3 Month | Tamoxyfen:N | Taxane:N |
F10 | CASE_CONTROL:Case | Chemotherapy:N | Drug:Letrozole | Race:White | TIMEPOINT:3 Month | Tamoxyfen:Y | Taxane:N |
F11 | CASE_CONTROL:Case | Chemotherapy:N | Drug:Letrozole | Race:White | TIMEPOINT:Baseline | Tamoxyfen:N | Taxane:N |
F12 | CASE_CONTROL:Case | Chemotherapy:N | Drug:Letrozole | Race:White | TIMEPOINT:Baseline | Tamoxyfen:Y | Taxane:N |
F13 | CASE_CONTROL:Case | Chemotherapy:Y | Drug:Exemestane | Race:Black | TIMEPOINT:3 Month | Tamoxyfen:N | Taxane:Y |
F14 | CASE_CONTROL:Case | Chemotherapy:Y | Drug:Exemestane | Race:Black | TIMEPOINT:Baseline | Tamoxyfen:N | Taxane:Y |
F15 | CASE_CONTROL:Case | Chemotherapy:Y | Drug:Exemestane | Race:White | TIMEPOINT:3 Month | Tamoxyfen:N | Taxane:Y |
F16 | CASE_CONTROL:Case | Chemotherapy:Y | Drug:Exemestane | Race:White | TIMEPOINT:3 Month | Tamoxyfen:Y | Taxane:N |
F17 | CASE_CONTROL:Case | Chemotherapy:Y | Drug:Exemestane | Race:White | TIMEPOINT:3 Month | Tamoxyfen:Y | Taxane:Y |
F18 | CASE_CONTROL:Case | Chemotherapy:Y | Drug:Exemestane | Race:White | TIMEPOINT:Baseline | Tamoxyfen:N | Taxane:Y |
F19 | CASE_CONTROL:Case | Chemotherapy:Y | Drug:Exemestane | Race:White | TIMEPOINT:Baseline | Tamoxyfen:Y | Taxane:N |
F20 | CASE_CONTROL:Case | Chemotherapy:Y | Drug:Exemestane | Race:White | TIMEPOINT:Baseline | Tamoxyfen:Y | Taxane:Y |
F21 | CASE_CONTROL:Case | Chemotherapy:Y | Drug:Letrozole | Race:White | TIMEPOINT:3 Month | Tamoxyfen:Y | Taxane:Y |
F22 | CASE_CONTROL:Case | Chemotherapy:Y | Drug:Letrozole | Race:White | TIMEPOINT:Baseline | Tamoxyfen:Y | Taxane:Y |
F23 | CASE_CONTROL:Control | Chemotherapy:N | Drug:Exemestane | Race:Black | TIMEPOINT:3 Month | Tamoxyfen:Y | Taxane:N |
F24 | CASE_CONTROL:Control | Chemotherapy:N | Drug:Exemestane | Race:Black | TIMEPOINT:Baseline | Tamoxyfen:Y | Taxane:N |
F25 | CASE_CONTROL:Control | Chemotherapy:N | Drug:Exemestane | Race:White | TIMEPOINT:3 Month | Tamoxyfen:N | Taxane:N |
F26 | CASE_CONTROL:Control | Chemotherapy:N | Drug:Exemestane | Race:White | TIMEPOINT:3 Month | Tamoxyfen:Y | Taxane:N |
F27 | CASE_CONTROL:Control | Chemotherapy:N | Drug:Exemestane | Race:White | TIMEPOINT:Baseline | Tamoxyfen:N | Taxane:N |
F28 | CASE_CONTROL:Control | Chemotherapy:N | Drug:Exemestane | Race:White | TIMEPOINT:Baseline | Tamoxyfen:Y | Taxane:N |
F29 | CASE_CONTROL:Control | Chemotherapy:N | Drug:Letrozole | Race:Black | TIMEPOINT:3 Month | Tamoxyfen:N | Taxane:N |
F30 | CASE_CONTROL:Control | Chemotherapy:N | Drug:Letrozole | Race:Black | TIMEPOINT:Baseline | Tamoxyfen:N | Taxane:N |
F31 | CASE_CONTROL:Control | Chemotherapy:N | Drug:Letrozole | Race:White | TIMEPOINT:3 Month | Tamoxyfen:N | Taxane:N |
F32 | CASE_CONTROL:Control | Chemotherapy:N | Drug:Letrozole | Race:White | TIMEPOINT:3 Month | Tamoxyfen:Y | Taxane:N |
F33 | CASE_CONTROL:Control | Chemotherapy:N | Drug:Letrozole | Race:White | TIMEPOINT:Baseline | Tamoxyfen:N | Taxane:N |
F34 | CASE_CONTROL:Control | Chemotherapy:N | Drug:Letrozole | Race:White | TIMEPOINT:Baseline | Tamoxyfen:Y | Taxane:N |
F35 | CASE_CONTROL:Control | Chemotherapy:Y | Drug:Exemestane | Race:White | TIMEPOINT:3 Month | Tamoxyfen:N | Taxane:N |
F36 | CASE_CONTROL:Control | Chemotherapy:Y | Drug:Exemestane | Race:White | TIMEPOINT:3 Month | Tamoxyfen:N | Taxane:Y |
F37 | CASE_CONTROL:Control | Chemotherapy:Y | Drug:Exemestane | Race:White | TIMEPOINT:3 Month | Tamoxyfen:Y | Taxane:N |
F38 | CASE_CONTROL:Control | Chemotherapy:Y | Drug:Exemestane | Race:White | TIMEPOINT:3 Month | Tamoxyfen:Y | Taxane:Y |
F39 | CASE_CONTROL:Control | Chemotherapy:Y | Drug:Exemestane | Race:White | TIMEPOINT:Baseline | Tamoxyfen:N | Taxane:N |
F40 | CASE_CONTROL:Control | Chemotherapy:Y | Drug:Exemestane | Race:White | TIMEPOINT:Baseline | Tamoxyfen:N | Taxane:Y |
F41 | CASE_CONTROL:Control | Chemotherapy:Y | Drug:Exemestane | Race:White | TIMEPOINT:Baseline | Tamoxyfen:Y | Taxane:N |
F42 | CASE_CONTROL:Control | Chemotherapy:Y | Drug:Exemestane | Race:White | TIMEPOINT:Baseline | Tamoxyfen:Y | Taxane:Y |
F43 | CASE_CONTROL:Control | Chemotherapy:Y | Drug:Letrozole | Race:White | TIMEPOINT:3 Month | Tamoxyfen:Y | Taxane:N |
F44 | CASE_CONTROL:Control | Chemotherapy:Y | Drug:Letrozole | Race:White | TIMEPOINT:3 Month | Tamoxyfen:Y | Taxane:Y |
F45 | CASE_CONTROL:Control | Chemotherapy:Y | Drug:Letrozole | Race:White | TIMEPOINT:Baseline | Tamoxyfen:Y | Taxane:N |
F46 | CASE_CONTROL:Control | Chemotherapy:Y | Drug:Letrozole | Race:White | TIMEPOINT:Baseline | Tamoxyfen:Y | Taxane:Y |
F47 | CASE_CONTROL:POOLED | Chemotherapy:POOLED | Drug:POOLED | Race:POOLED | TIMEPOINT:POOLED | Tamoxyfen:- | Taxane:- |