Clustering data with hclust algorithm for Pilot metabolomics study of aromatase inhibitor associated arthralgias (Study ST000695)
Reversed phase NEGATIVE ION MODE (Analysis AN001075)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 |
---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
GIBBERELLIC ACID [ISTD] (CAS# 77-06-5); (M+CL)- | ME195715 | 0.85 | 0.99 | 0.61 | 0.88 | NA | 1.01 | NA | NA | 1.00 | 0.83 | 1.07 | 1.28 | NA | 0.87 | 1.34 | NA | 0.82 | 1.09 | 0.74 | 0.82 | 0.75 | 0.80 | 0.85 | 0.89 | 1.11 | NA | 1.10 | 1.04 | 0.85 | 1.24 | 1.26 | NA | 1.19 | 0.99 | 1.22 | NA | 1.09 | NA | 1.17 | NA | NA | NA | NA | NA | NA | 0.88 | NA |
GLUCOSE (CAS# 50-99-7); (M+CL)- | ME195720 | 1.98 | 1.40 | 0.80 | 1.05 | 1.04 | 1.01 | 0.82 | 0.69 | 1.24 | 0.74 | 1.18 | 0.85 | 0.92 | 0.81 | 0.85 | 0.86 | 0.97 | 1.10 | 0.98 | 0.68 | 1.13 | 0.82 | 1.79 | 1.40 | 1.10 | 1.37 | 1.01 | 1.32 | 0.83 | 1.14 | 0.97 | 1.07 | 1.18 | 1.08 | 0.79 | 0.84 | 0.95 | 1.16 | 1.10 | 0.85 | 0.98 | 1.13 | 0.80 | 0.99 | 0.55 | 0.82 | NA |
JASMONIC ACID [ISTD] (CAS# 77026-92-7); (M-H)- | ME195746 | 1.18 | 0.98 | 0.90 | 0.98 | 0.97 | 1.05 | 1.15 | 0.86 | 1.15 | 0.84 | 1.02 | 0.89 | 1.14 | 0.98 | 0.95 | 0.85 | 1.11 | 1.23 | 0.96 | 0.87 | 1.08 | 0.94 | 1.20 | 1.05 | 0.92 | 1.24 | 0.82 | 1.05 | 0.96 | 1.39 | 1.04 | 1.08 | 0.81 | 1.08 | 0.93 | 0.99 | 1.03 | 1.48 | 1.15 | 0.91 | 1.02 | 1.15 | 1.04 | 1.06 | 0.76 | 0.90 | NA |
CITRATE (CAS# 77-92-9); (M-H)- | ME195680 | 3.09 | 3.89 | 0.34 | 0.65 | 0.50 | 1.15 | 2.18 | 1.52 | 2.28 | 0.83 | 0.80 | 1.24 | 0.41 | 0.04 | 0.71 | 1.12 | 0.77 | 0.50 | 1.02 | 0.79 | 0.64 | 0.92 | 0.81 | 0.25 | 1.09 | 0.33 | 1.86 | 0.89 | 1.23 | 0.30 | 1.29 | 0.97 | 1.46 | 1.64 | 1.30 | 0.84 | 0.37 | 1.67 | 1.02 | 0.35 | 0.27 | 0.31 | 0.65 | 1.46 | 0.69 | 1.11 | NA |
N-ACETYLNEURAMINATE (CAS# 131-48-6); (M-H)- | ME195784 | 2.62 | 1.88 | 0.54 | 0.70 | 0.79 | 0.65 | 0.50 | NA | 1.55 | 0.76 | 1.08 | 1.00 | 0.89 | 0.54 | NA | 0.95 | 0.98 | 0.78 | 1.05 | 0.57 | 0.88 | 1.03 | 1.78 | NA | 1.26 | NA | 1.28 | NA | 0.64 | NA | 0.95 | 1.45 | 0.90 | 1.10 | 0.81 | 0.92 | 0.59 | NA | 1.11 | 0.68 | NA | 1.05 | NA | 0.91 | 0.66 | 0.88 | NA |
16:0 LYSO PC (CAS# 17364-16-8); (M+CL)- | ME195603 | 1.12 | NA | 1.48 | 0.78 | 1.27 | 0.96 | 0.32 | NA | 0.28 | 0.88 | 0.62 | 0.52 | 0.73 | NA | 0.51 | 0.18 | NA | 1.03 | 0.42 | NA | 1.70 | 1.33 | 0.24 | NA | 1.95 | 1.61 | 0.90 | 0.25 | NA | NA | 0.96 | 0.45 | 1.63 | 1.18 | 1.76 | 1.58 | 0.47 | 3.85 | NA | NA | 0.57 | 0.52 | NA | 0.24 | NA | 1.09 | NA |
LACTOSE (CAS# 63-42-3); (M+CL)- | ME195756 | 1.28 | 1.53 | 1.54 | 0.89 | 0.84 | 0.79 | 1.55 | 1.05 | 0.47 | 1.51 | 1.03 | 0.46 | 0.59 | 0.65 | 0.55 | NA | 0.33 | 0.79 | 0.43 | 0.18 | 1.06 | 0.52 | NA | 0.44 | 1.08 | NA | 1.36 | 0.42 | 0.30 | 0.34 | 1.20 | 0.36 | 1.10 | 0.69 | 0.31 | 1.06 | 4.51 | 1.23 | 0.46 | 0.32 | 2.82 | 0.34 | NA | 0.39 | 0.21 | 0.48 | NA |
EPIBRASSINOLIDE [ISTD] (CAS# 78821-43-9); (M+CL)- | ME195705 | 0.96 | 0.98 | 1.03 | 1.06 | 0.92 | 1.02 | 0.97 | 0.87 | 0.94 | 0.94 | 1.01 | 0.99 | 1.19 | 1.15 | 1.08 | 0.96 | 1.07 | 1.13 | 1.03 | 0.96 | 0.98 | 1.01 | 1.10 | 1.20 | 1.01 | 1.01 | 0.85 | 1.01 | 1.12 | 1.21 | 1.01 | 0.91 | 0.78 | 0.96 | 1.04 | 1.03 | 1.00 | 1.47 | 1.03 | 0.94 | 0.98 | 1.06 | 0.98 | 0.98 | 0.89 | 0.95 | NA |
BEHENIC ACID (CAS# 112-85-6); (M-H)- | ME195661 | 0.57 | 0.67 | 1.00 | 0.81 | 0.47 | 1.55 | 1.59 | 0.60 | 1.21 | 0.70 | 1.07 | 1.09 | 1.92 | 0.70 | 0.59 | 0.99 | 1.49 | 0.82 | 1.79 | 0.54 | 0.73 | 0.60 | 0.99 | 0.70 | 1.69 | 1.01 | 0.98 | 0.98 | 0.87 | 0.85 | 0.64 | 1.71 | 0.53 | 2.03 | 0.49 | 1.10 | 0.44 | 0.84 | 0.91 | 1.03 | 0.62 | 0.86 | 1.18 | 1.11 | 2.14 | 1.15 | NA |
MONO-METHYL GLUTARATE (CAS# 1501-27-5); (M-H)- | ME195773 | 0.94 | 0.98 | 0.76 | 1.03 | 0.73 | NA | 1.01 | 1.37 | 1.10 | 0.72 | 1.10 | 0.70 | 0.89 | 0.70 | 0.68 | 1.02 | 1.05 | 0.96 | 1.11 | 0.66 | 1.23 | 1.24 | 1.61 | 1.28 | 1.48 | 0.65 | 0.86 | NA | 0.77 | 0.91 | 0.90 | 1.39 | 1.41 | 1.24 | 1.44 | 0.45 | 0.88 | NA | 1.18 | 0.54 | 1.50 | 1.60 | 0.87 | 0.89 | NA | 0.62 | NA |
JASMONIC ACID [ISTD] (CAS# 77026-92-7); (2M-H)- | ME195745 | 0.83 | 0.92 | 0.98 | 0.96 | 1.14 | 1.03 | 0.87 | 0.71 | 1.01 | 0.91 | 0.92 | 0.87 | 1.17 | 1.25 | 1.12 | 0.91 | 1.04 | 1.09 | 0.99 | 0.83 | 0.97 | 1.05 | 1.02 | 1.08 | 0.94 | 1.03 | 0.97 | 0.84 | 1.30 | 1.49 | 0.92 | 0.87 | 0.88 | 0.88 | 0.95 | 1.02 | 1.17 | 2.85 | 0.97 | 0.92 | 0.87 | 1.21 | 0.89 | 0.97 | 0.79 | 0.90 | NA |
16:0 LYSO PC (CAS# 17364-16-8); (M+HCOO)- | ME195604 | 0.39 | 0.64 | 1.31 | 1.41 | 0.78 | 1.31 | 1.00 | 0.49 | 0.95 | 1.01 | 0.77 | 1.14 | 2.52 | 1.03 | 0.75 | 0.83 | 0.93 | 0.88 | 1.89 | 0.50 | 1.09 | 0.67 | 1.22 | 0.91 | 1.11 | 0.63 | 0.90 | 0.94 | 0.67 | 1.03 | 0.86 | 1.36 | 0.72 | 1.43 | 0.73 | 1.44 | 0.78 | 1.47 | 0.67 | 0.86 | 0.75 | 1.36 | 1.12 | 0.77 | 1.95 | 0.74 | NA |
THEOPHYLLINE (CAS# 58-55-9); (M-H)- | ME195831 | 2.28 | 1.14 | 1.22 | 0.95 | 1.42 | 1.00 | 0.18 | 0.42 | 1.29 | 1.52 | 1.01 | 1.05 | 0.67 | 0.44 | 0.54 | 0.72 | 1.14 | 1.80 | 1.42 | 0.72 | 1.01 | 0.65 | 0.51 | 0.67 | 0.85 | 2.77 | 1.03 | 1.94 | 0.03 | 0.03 | 1.38 | 0.51 | 1.66 | 0.97 | 1.22 | 0.35 | 0.39 | 0.85 | 1.66 | 0.81 | 0.36 | 0.91 | 1.09 | 0.87 | 0.70 | 1.23 | NA |
CORTISOL (CAS# 50-23-7); (M+HCOO)- | ME195685 | 1.92 | 0.78 | 0.70 | 0.61 | 0.83 | 1.03 | 0.88 | 1.07 | 1.11 | 0.73 | 0.78 | 1.42 | 0.48 | 0.51 | 0.98 | 0.70 | 0.73 | 1.03 | 1.49 | 1.60 | 0.59 | 0.87 | 0.98 | 1.42 | 1.02 | 0.89 | 1.09 | 1.54 | 0.86 | 0.94 | 1.26 | 1.26 | 0.83 | 1.28 | 0.64 | 0.77 | 0.56 | 1.87 | 0.85 | 0.54 | 1.13 | 1.72 | 1.44 | 1.10 | 1.69 | 1.24 | NA |
HEPTADECANOATE (CAS# 506-12-7); (M-H)- | ME195729 | 0.92 | 0.88 | 0.87 | 0.97 | 0.80 | 1.09 | 0.91 | 0.50 | 0.94 | 0.95 | 1.01 | 0.97 | 1.16 | 0.58 | 0.81 | 0.77 | 1.36 | 1.28 | 1.08 | 0.82 | 1.06 | 0.98 | 0.74 | 0.60 | 0.92 | 0.77 | 0.99 | 1.26 | 0.91 | 0.95 | 0.93 | 1.66 | 0.96 | 1.68 | 0.78 | 0.87 | 0.77 | 1.32 | 1.20 | 0.98 | 0.99 | 0.83 | 0.94 | 0.74 | 1.38 | 1.15 | NA |
3-HYDROXY-3-METHYLGLUTARATE (CAS# 503-49-1); (M-H)- | ME195622 | 2.66 | 2.36 | 0.46 | 1.18 | 0.57 | 1.01 | NA | 1.28 | 1.26 | 0.85 | 0.87 | 1.37 | 0.96 | 0.47 | 0.59 | 1.73 | 1.21 | 0.61 | 1.27 | 1.16 | 0.65 | 1.27 | 1.88 | 1.89 | 1.16 | NA | 0.88 | 0.83 | 0.72 | 0.38 | 1.47 | 1.18 | 0.60 | 1.79 | 1.07 | 0.79 | 0.46 | 1.73 | 0.93 | 0.53 | 0.73 | 1.77 | 0.41 | 1.14 | 0.63 | 0.76 | NA |
AZELAIC ACID (CAS# 123-99-9); (M-H)- | ME195660 | 1.07 | 1.24 | 0.70 | 1.04 | 0.88 | 1.08 | 1.18 | 1.03 | 1.26 | 1.14 | 1.02 | 0.81 | 1.07 | 0.94 | 1.01 | 1.43 | 1.02 | 1.07 | 0.44 | 0.84 | 0.87 | 0.89 | 0.84 | 0.62 | 1.01 | NA | 0.92 | 1.15 | NA | 0.94 | 1.67 | 0.93 | 0.96 | 0.96 | 0.88 | 0.82 | 1.32 | 1.31 | 0.75 | 0.93 | 0.96 | 1.31 | 0.66 | 0.80 | 0.57 | 1.20 | NA |
(S)-3-METHYL-2-OXOPENTANOATE (CAS# 1460-34-0); (M-H)- | ME195594 | 1.64 | 1.35 | 0.79 | 0.92 | 1.16 | 1.19 | 1.20 | 0.80 | 1.23 | 0.79 | 0.88 | 1.01 | 1.26 | 0.63 | 0.71 | 1.16 | 1.08 | 0.97 | 1.56 | 0.94 | 0.85 | 0.94 | 1.24 | 1.32 | 1.13 | 1.37 | 0.72 | 1.21 | 0.73 | 0.76 | 0.93 | 1.36 | 0.77 | 1.29 | 0.98 | 0.82 | 0.74 | 1.30 | 1.02 | 0.73 | 0.89 | 1.47 | 1.12 | 1.22 | 0.51 | 0.91 | NA |
CYCLOHEPTANECARBOXYLIC ACID (CAS# 1460-16-8); (M+HCOO)- | ME195689 | 1.09 | 1.12 | 0.72 | 1.05 | 0.90 | 1.10 | 1.20 | 1.05 | 1.28 | 1.16 | 1.10 | 0.83 | 1.24 | 0.96 | 1.08 | 0.93 | 1.08 | 1.03 | 0.44 | 0.85 | 0.82 | 0.98 | 0.86 | 0.63 | 0.99 | NA | 0.90 | 1.00 | NA | 0.95 | 1.80 | 0.90 | 0.97 | 0.97 | 0.89 | 0.72 | 1.35 | 1.33 | 0.82 | 0.76 | 0.93 | 1.16 | 0.67 | 0.82 | 0.58 | 1.09 | NA |
HIPPURATE (CAS# 495-69-2); (M-H)- | ME195731 | 1.00 | 1.19 | 0.41 | 0.19 | 0.53 | 0.32 | 0.76 | 0.23 | 0.61 | 3.95 | 0.27 | 0.54 | 0.28 | 0.63 | 0.47 | 1.46 | 1.27 | 1.79 | 0.53 | 1.77 | 0.57 | 0.34 | 0.37 | 0.14 | 1.77 | 0.86 | 1.11 | 0.61 | 0.28 | 0.26 | 0.69 | 2.19 | 2.55 | 0.61 | 0.32 | 0.34 | 0.44 | 6.99 | 0.57 | 0.44 | 0.53 | 0.59 | 0.98 | 0.33 | 0.42 | 1.79 | NA |
METHYLMALONATE (CAS# 516-05-2); (M-H)- | ME195771 | 0.53 | 0.43 | 0.62 | 1.24 | 0.79 | 0.81 | 0.94 | 0.59 | 0.99 | 0.76 | 1.24 | 1.20 | 1.27 | NA | 0.66 | 0.64 | 1.30 | 1.08 | 1.42 | 0.65 | 1.08 | 0.89 | 1.07 | 0.94 | 1.08 | 1.59 | 0.80 | 1.14 | 0.66 | 0.81 | 1.21 | 1.74 | 0.94 | 1.21 | 0.84 | 1.06 | 0.95 | 1.74 | 1.53 | 0.78 | 0.92 | 1.91 | 0.71 | 1.05 | 0.58 | NA | NA |
L-TRYPTOPHAN-15N2 [ISTD] (CAS# ); (M-H)- | ME195754 | 1.18 | 1.12 | 0.85 | 1.01 | 0.82 | 0.98 | 0.98 | 0.88 | 1.16 | 0.92 | 1.07 | 0.93 | 1.43 | 1.06 | 0.93 | 0.83 | 1.15 | 1.08 | 0.81 | 0.88 | 1.00 | 0.94 | 1.05 | 0.89 | 1.16 | 1.10 | 0.71 | 1.10 | 1.23 | 1.26 | 0.93 | 1.13 | 0.61 | 0.99 | 1.08 | 0.92 | 0.98 | 2.03 | 1.29 | 0.90 | 1.04 | 1.79 | 0.96 | 1.19 | 0.74 | 0.92 | NA |
3-METHYGLUTARIC ACID (CAS# 626-51-7); (M-H)- | ME195625 | 0.95 | 0.99 | 0.77 | 1.04 | 0.73 | NA | 1.01 | 1.38 | 1.11 | 0.73 | 1.11 | 0.71 | 0.89 | 0.71 | 0.67 | 1.03 | 1.01 | 0.97 | 1.12 | 0.66 | 1.24 | 1.25 | 1.62 | 1.29 | 1.44 | 0.66 | 0.86 | NA | 0.77 | 0.92 | 0.91 | 1.40 | 1.42 | 1.20 | 1.46 | 0.46 | 0.89 | NA | 1.19 | 0.54 | 1.51 | 1.61 | 0.87 | 0.90 | NA | 0.63 | NA |
4-PYRIDOXATE (CAS# 82-82-6); (M-H)- | ME195641 | 2.18 | 0.54 | 0.65 | 0.36 | 0.48 | 0.66 | 0.55 | 0.30 | 0.32 | 2.19 | 0.43 | 0.49 | 0.12 | NA | 0.25 | 2.31 | 0.36 | 0.47 | 1.78 | 0.40 | 0.22 | 0.38 | 0.61 | NA | 4.10 | 0.39 | 0.60 | 0.21 | NA | 0.18 | 0.55 | 1.06 | 0.65 | 0.79 | 2.08 | 1.88 | 0.56 | 2.96 | 3.52 | 0.15 | 0.42 | 1.27 | 0.22 | 1.66 | NA | 0.36 | NA |
CELLOBIOSE (CAS# 528-50-7); (M+CL)- | ME195672 | 1.29 | 1.53 | 1.55 | 0.89 | 0.85 | 0.80 | 1.55 | 1.06 | 0.47 | 1.45 | 1.03 | 0.46 | 0.60 | 0.65 | 0.55 | NA | 0.30 | 0.77 | 0.44 | 0.18 | 1.07 | 0.52 | NA | 0.44 | 1.08 | NA | 1.37 | 0.36 | 0.30 | 0.34 | 1.20 | 0.36 | 1.11 | 0.69 | 0.32 | 1.07 | 4.53 | 1.23 | 0.46 | 0.32 | 2.83 | 0.34 | NA | 0.40 | 0.21 | 0.49 | NA |
3-HYDROXYPHENYLACETATE (CAS# 621-37-4); (M-H)- | ME195624 | 1.20 | 0.36 | 0.54 | NA | 0.40 | 0.75 | 2.37 | NA | NA | NA | NA | 0.50 | 1.77 | NA | NA | 1.04 | 0.25 | 1.32 | 1.28 | 0.76 | 1.07 | 0.65 | NA | NA | 0.35 | NA | 0.81 | 0.22 | 0.56 | NA | 0.45 | 2.69 | NA | NA | 1.25 | NA | 1.10 | 3.13 | 1.50 | 0.15 | 1.02 | 1.42 | NA | NA | NA | NA | NA |
ISOLEUCINE (CAS# 73-32-5); (M-H)- | ME195743 | NA | 0.38 | 0.63 | 1.31 | 0.95 | 0.75 | 0.57 | 0.56 | 0.76 | 0.92 | NA | 1.14 | 1.13 | 0.95 | 0.46 | 1.29 | 0.89 | 1.16 | 0.83 | 0.68 | 1.41 | 1.08 | NA | NA | 1.73 | 0.92 | 0.71 | NA | 1.22 | 1.15 | 1.51 | 1.27 | 0.67 | 1.76 | 0.59 | 1.32 | 0.71 | 2.10 | 0.58 | 0.74 | 0.85 | NA | NA | 1.24 | NA | 1.03 | NA |
ISOCITRATE (CAS# 320-77-4); (M-H)- | ME195742 | 3.34 | 4.21 | 0.38 | 0.70 | 0.54 | 1.82 | 2.19 | 1.64 | 0.35 | 0.90 | 0.14 | 1.32 | 0.44 | 0.07 | 0.78 | 1.23 | 0.88 | 0.54 | 1.10 | 0.91 | 0.69 | 0.96 | 0.88 | 0.28 | 0.91 | 0.35 | 1.33 | 0.96 | 1.33 | 0.32 | 1.39 | 0.58 | 1.58 | 1.77 | 1.41 | 0.93 | 0.40 | 1.90 | 1.20 | 0.78 | 0.32 | NA | 0.70 | 1.58 | 0.75 | 1.15 | NA |
ZEATIN [ISTD] (CAS# 13114-27-7); (M+CL)- | ME195854 | 1.03 | 1.02 | 0.88 | 1.06 | 0.93 | 1.09 | 1.08 | 0.97 | 0.99 | 0.86 | 1.17 | 0.93 | 1.22 | 1.07 | 0.89 | 0.84 | 1.14 | 1.19 | 0.94 | 0.84 | 1.10 | 0.94 | 1.18 | 1.07 | 1.05 | 1.24 | 0.81 | 1.08 | 0.97 | 1.11 | 1.01 | 1.08 | 0.86 | 1.08 | 1.03 | 0.86 | 1.03 | 1.18 | 1.14 | 0.85 | 1.08 | 1.23 | 0.97 | 0.99 | 0.71 | 0.94 | NA |
4-HYDROXYBENZALDEHYDE (CAS# 123-08-0); (M-H)- | ME195633 | 1.40 | 1.42 | 1.06 | 1.17 | 0.40 | 1.18 | 3.24 | 1.88 | 0.76 | 1.16 | 1.04 | 0.83 | 0.64 | 0.42 | 0.86 | 1.43 | 0.99 | 0.86 | NA | 0.67 | 0.82 | 0.92 | 0.77 | 0.53 | 1.19 | 0.85 | 1.13 | NA | NA | NA | 0.93 | 0.88 | NA | 1.15 | 0.59 | 0.52 | 1.37 | 1.53 | 1.17 | 0.78 | 0.77 | 2.47 | 0.62 | 1.13 | NA | 0.40 | NA |
MELIBIOSE (CAS# 585-99-9); (M+CL)- | ME195769 | 1.28 | 1.53 | 1.55 | 0.95 | 0.84 | 0.73 | 1.55 | 1.06 | 0.47 | 1.51 | 1.03 | 0.46 | 0.60 | 0.65 | 0.55 | NA | 0.33 | 0.79 | 0.44 | 0.18 | 1.06 | 0.52 | NA | 0.44 | 1.08 | NA | 1.37 | 0.36 | 0.30 | 0.34 | 1.20 | 0.36 | 1.08 | 0.69 | 0.31 | 1.06 | 4.52 | 1.23 | 0.46 | 0.32 | 2.82 | 0.34 | NA | 0.39 | 0.21 | 0.48 | NA |
OLEIC ACID (CAS# 112-80-1); (M-H)- | ME195794 | 1.02 | 0.86 | 0.87 | 0.93 | 1.00 | 1.01 | 1.04 | 0.72 | 1.15 | 1.01 | 1.09 | 0.98 | 0.84 | 0.74 | 0.76 | 0.83 | 1.19 | 1.29 | 1.41 | 0.88 | 0.98 | 0.93 | 0.88 | 0.83 | 0.90 | 1.02 | 0.93 | 1.01 | 0.77 | 0.96 | 0.99 | 1.27 | 0.93 | 1.47 | 0.83 | 0.96 | 0.80 | 1.44 | 1.20 | 1.04 | 0.96 | 0.93 | 0.88 | 0.89 | 1.00 | 1.17 | NA |
D-LYXOSE (CAS# 1114-34-7); (M-H)- | ME195693 | 1.06 | 1.91 | 0.77 | 1.03 | 0.49 | 1.27 | 2.09 | 1.40 | 0.77 | 3.28 | 0.41 | 0.93 | 0.33 | NA | 0.71 | 0.88 | 0.38 | 0.88 | 1.93 | 0.15 | 0.33 | NA | 1.00 | NA | 1.18 | 1.62 | 1.21 | NA | NA | NA | 1.09 | 0.63 | 1.18 | 1.31 | 0.49 | NA | 0.89 | 1.13 | 1.50 | 0.21 | 0.49 | 0.72 | NA | NA | NA | NA | NA |
NERVONIC ACID (CAS# 506-37-6); (M-H)- | ME195792 | 1.08 | 1.02 | 0.95 | 0.92 | 0.85 | 0.92 | 1.47 | 1.02 | 1.24 | 0.93 | 0.85 | 1.03 | 1.08 | 0.67 | 0.82 | 0.79 | 1.17 | 1.30 | 1.34 | 0.80 | 1.03 | 0.90 | 0.90 | 0.90 | 1.03 | 0.82 | 0.95 | 1.13 | 0.58 | 0.71 | 0.94 | 1.34 | 1.10 | 1.65 | 0.95 | 0.88 | 0.53 | 1.78 | 1.02 | 1.00 | 0.63 | 1.12 | 0.72 | 0.95 | 0.82 | 1.33 | NA |
GLUCARIC ACID (CAS# 87-73-0); (M-H)+[-H2O] | ME195717 | 3.66 | 3.29 | 0.41 | 1.12 | 0.66 | 1.99 | 2.16 | 1.80 | 0.32 | 0.87 | 0.06 | 0.16 | 0.50 | 0.07 | 0.82 | NA | 0.96 | 0.36 | 1.21 | 1.06 | 0.74 | 1.05 | 1.09 | 0.38 | 0.64 | 0.26 | 1.45 | 1.06 | 1.41 | 0.35 | 1.48 | 0.65 | 1.72 | 1.88 | 0.45 | 1.02 | 0.44 | 2.20 | 0.67 | 0.85 | 0.34 | 1.62 | NA | 1.74 | 0.81 | 0.87 | NA |
4-METHYL-2-OXOPENTANOATE (CAS# 816-66-0); (M-H)- | ME195636 | 1.62 | 1.24 | 0.89 | 1.08 | 0.81 | 1.26 | 1.06 | 0.58 | 1.23 | 0.77 | 0.93 | 0.96 | 1.29 | 0.59 | 0.68 | 1.12 | 1.21 | 0.96 | 1.77 | 0.97 | 0.85 | 0.88 | 0.99 | 1.09 | 1.15 | 1.30 | 0.71 | 1.31 | 0.76 | 0.86 | 0.95 | 1.45 | 0.70 | 1.29 | 1.04 | 0.81 | 0.73 | 1.63 | 1.00 | 0.78 | 0.90 | 1.65 | 1.09 | 1.23 | 0.54 | 0.94 | NA |
ADIPIC ACID (CAS# 124-04-9 ); (M-H)- | ME195651 | 0.94 | 0.98 | 0.76 | 1.03 | 0.73 | NA | 1.01 | 1.37 | 1.10 | 0.72 | 1.10 | 0.70 | 0.89 | 0.70 | 0.68 | 1.02 | 1.05 | 0.96 | 1.11 | 0.66 | 1.23 | 1.24 | 1.61 | 1.28 | 1.48 | 0.65 | 0.86 | NA | 0.77 | 0.91 | 0.90 | 1.39 | 1.41 | 1.24 | 1.44 | 0.45 | 0.88 | NA | 1.18 | 0.54 | 1.50 | 1.60 | 0.87 | 0.89 | NA | 0.62 | NA |
CIS-VACCENIC ACID (CAS# 506-17-2); (M-H)- | ME195676 | 1.02 | 0.86 | 0.87 | 0.93 | 1.00 | 1.01 | 1.04 | 0.72 | 1.15 | 1.01 | 1.09 | 0.98 | 0.84 | 0.74 | 0.76 | 0.83 | 1.19 | 1.29 | 1.41 | 0.88 | 0.98 | 0.93 | 0.89 | 0.83 | 0.90 | 1.02 | 0.93 | 1.01 | 0.77 | 0.96 | 0.99 | 1.27 | 0.93 | 1.47 | 0.83 | 0.96 | 0.80 | 1.44 | 1.20 | 1.04 | 0.96 | 0.93 | 0.88 | 0.89 | 1.00 | 1.17 | NA |
PALMITATE (CAS# 57-10-3); (M-H)- | ME195800 | 1.03 | 0.86 | 0.92 | 0.95 | 1.01 | 1.10 | 1.19 | 0.76 | 1.18 | 1.01 | 1.10 | 0.97 | 0.83 | 0.79 | 0.78 | 0.85 | 1.15 | 1.25 | 1.38 | 0.89 | 1.07 | 0.94 | 0.76 | 0.78 | 0.87 | 1.18 | 0.92 | 1.16 | 0.76 | 1.01 | 0.93 | 1.30 | 1.00 | 1.37 | 0.80 | 0.89 | 0.92 | 1.17 | 1.14 | 0.99 | 0.96 | 0.86 | 0.97 | 0.78 | 1.05 | 1.09 | NA |
5-OXOPROLINE (CAS# 4042-36-8); (M-H)- | ME195648 | 1.89 | 1.21 | 0.55 | 1.07 | 0.82 | 0.81 | 1.05 | 0.76 | 1.20 | 0.87 | 1.24 | 0.89 | 1.29 | 0.56 | 0.72 | 0.85 | 0.98 | 1.10 | 1.50 | 0.70 | 0.88 | 0.81 | 1.27 | 0.54 | 1.19 | 1.28 | 1.16 | 0.92 | 0.51 | 0.61 | 1.20 | 1.43 | 1.14 | 1.48 | 0.85 | 1.16 | 0.86 | 1.28 | 1.16 | 0.80 | 0.72 | 1.63 | 0.82 | 0.97 | 0.53 | 0.77 | NA |
3-(4-HYDROXYPHENYL)LACTATE (CAS# 6482-98-0); (M-H)- | ME195620 | 1.15 | 1.65 | 0.83 | 1.29 | 1.05 | 1.32 | 2.48 | 1.64 | 1.43 | 0.83 | 1.17 | 1.04 | 1.74 | 1.12 | 0.49 | 0.74 | 0.98 | 0.93 | 1.09 | 0.67 | 0.85 | 0.69 | 1.04 | 0.67 | 0.99 | 0.86 | 0.62 | 1.04 | 0.79 | 0.60 | 1.18 | 1.65 | 1.53 | 1.14 | 1.21 | 0.60 | 1.05 | 0.69 | 1.26 | 0.83 | 0.73 | 1.09 | 0.89 | 1.16 | 0.45 | 0.84 | NA |
QUINATE (CAS# 77-95-2); (M-H)- | ME195813 | 2.89 | 1.85 | 0.71 | 1.30 | 0.73 | 2.90 | NA | 0.52 | 0.95 | 0.68 | 0.14 | 1.10 | 0.45 | 0.07 | 1.00 | 1.19 | 0.53 | 1.29 | 1.46 | 0.43 | 0.42 | 0.21 | 0.67 | NA | 0.53 | 2.24 | 1.04 | 0.14 | NA | NA | 2.46 | 0.25 | 1.51 | 3.07 | 1.62 | 0.23 | 0.94 | 1.13 | 2.06 | 0.58 | 1.61 | 0.21 | 0.16 | 0.12 | NA | NA | NA |
N-ACETYL-L-ALANINE (CAS# 97-69-8); (M-H)- | ME195780 | 0.47 | 0.48 | 0.78 | 1.22 | 0.83 | 1.18 | 2.05 | 1.69 | 1.07 | 0.96 | 0.97 | 1.14 | 1.41 | 0.69 | 0.65 | 0.59 | 1.22 | 1.01 | 0.89 | 0.84 | 0.95 | 0.98 | 1.52 | 1.10 | 1.17 | 1.19 | 0.83 | 1.00 | 0.81 | 0.94 | 1.34 | 1.18 | 0.79 | 1.32 | 0.85 | 0.83 | 0.76 | 1.62 | 1.21 | 0.73 | 0.79 | 1.87 | 0.78 | 1.16 | 0.52 | 0.94 | NA |
ERUCIC ACID (CAS# 112-86-7); (M-H)- | ME195707 | 0.72 | 0.65 | 0.75 | 1.11 | 0.78 | 2.24 | 1.71 | 0.55 | 1.00 | 0.62 | 1.02 | 1.31 | 1.68 | 0.44 | 0.45 | 0.86 | 1.85 | 0.97 | 1.58 | 0.54 | 0.78 | 0.73 | 1.42 | 0.73 | 0.98 | 0.55 | 0.98 | 0.67 | 0.46 | 0.61 | 0.68 | 1.87 | 1.87 | 2.00 | 0.47 | 0.69 | 0.32 | 1.75 | 1.24 | 0.82 | 0.48 | 0.62 | 0.63 | 0.67 | 2.01 | 0.95 | NA |
LEUCINE (CAS# 328-39-2); (M-H)- | ME195759 | NA | 0.37 | 0.67 | 1.29 | 0.93 | 0.92 | 0.56 | 0.55 | 0.74 | 0.98 | NA | 1.19 | 1.11 | 0.93 | 0.48 | 1.27 | 0.88 | 1.18 | 0.82 | 0.79 | 1.38 | 1.10 | NA | NA | 1.70 | 0.90 | 0.69 | NA | 1.20 | 1.13 | 1.48 | 1.24 | 0.65 | 1.73 | 0.58 | 1.30 | 0.73 | 2.06 | 0.57 | 0.73 | 0.84 | NA | NA | 1.22 | NA | 1.01 | NA |
TRIDECANOIC ACID (CAS# 638-53-9); (M-H)- | ME195840 | 0.64 | 0.98 | 0.74 | 0.97 | 0.91 | 1.24 | 0.87 | NA | 0.99 | 0.97 | 1.77 | 1.10 | 0.67 | NA | 0.66 | 0.85 | 0.94 | 1.07 | 1.60 | 0.90 | 0.86 | 0.66 | 0.69 | 0.67 | 1.17 | 0.68 | 0.67 | 0.87 | 0.55 | 0.84 | 0.74 | 1.25 | 1.68 | 1.35 | 0.84 | 0.93 | 0.81 | 1.02 | 2.06 | 1.08 | 0.86 | NA | 1.59 | 0.75 | 1.29 | 0.76 | NA |
3-HYDROXYBENZALDEHYDE (CAS# 100-83-4); (M-H)- | ME195623 | 1.37 | 1.38 | 1.04 | 1.15 | 0.39 | 1.16 | 3.18 | 1.83 | 0.75 | 1.14 | 1.01 | 0.81 | 0.62 | 0.41 | 0.84 | 1.40 | 0.96 | 0.84 | NA | 0.66 | 0.80 | 0.90 | 0.75 | 0.52 | 1.16 | 0.84 | 1.11 | NA | NA | NA | 0.91 | 0.85 | NA | 1.05 | 0.58 | 0.51 | 1.36 | 1.49 | 1.15 | 0.77 | 1.15 | 2.61 | 0.61 | 1.20 | NA | 0.39 | NA |
PANTOTHENATE (CAS# 79-83-4); (M-H)- | ME195803 | 1.21 | 0.75 | 0.78 | 0.30 | 0.76 | 0.56 | 0.54 | 0.50 | 0.75 | 0.76 | 0.66 | 0.51 | NA | NA | 0.41 | 3.15 | 0.59 | 0.55 | 3.73 | 0.74 | NA | 0.52 | 0.82 | NA | 1.77 | 0.19 | 0.56 | NA | NA | NA | 0.68 | 1.03 | 0.73 | 0.76 | 2.22 | NA | 0.61 | 2.88 | 3.71 | NA | 0.60 | 1.20 | NA | 0.91 | NA | 0.78 | NA |
2-METHYLGLUTARIC ACID (CAS# 18069-17-5); (M-H)- | ME195614 | 0.95 | 0.99 | 0.77 | 1.04 | 0.73 | NA | 0.82 | 1.38 | 1.11 | 0.73 | 1.11 | 0.71 | 0.90 | 0.71 | 0.69 | 0.82 | 1.06 | 0.97 | 1.12 | 0.66 | 1.24 | 1.25 | 1.62 | 1.29 | 1.49 | 0.66 | 0.86 | NA | 0.77 | 0.92 | 0.91 | 1.41 | 1.42 | 1.19 | 1.46 | 0.46 | 0.89 | NA | 1.19 | 0.55 | 1.51 | 1.62 | 0.87 | 0.90 | NA | 0.63 | NA |
2-DEOXY-D-GLUCOSE (CAS# 154-17-6); (M+CL)- | ME195610 | 0.38 | 0.98 | 0.87 | 0.83 | 1.10 | 0.88 | NA | NA | 1.05 | 0.72 | 1.08 | 0.81 | 1.25 | 0.60 | 1.10 | 0.51 | 0.94 | 1.25 | 0.61 | 0.79 | 0.73 | 0.52 | 0.73 | 0.42 | 1.18 | 0.86 | 1.10 | 0.91 | 1.49 | 1.84 | 1.06 | 1.53 | 0.87 | 1.34 | 0.93 | 1.06 | 1.12 | 1.19 | 1.50 | 1.05 | 1.07 | 0.97 | 1.23 | 1.07 | 0.88 | 0.86 | NA |
GIBBERELLIC ACID [ISTD] (CAS# 77-06-5); (2M-H)- | ME195714 | 0.37 | 0.46 | 0.62 | 0.80 | 2.70 | 0.62 | 0.52 | 0.33 | 0.58 | 0.92 | 0.50 | 0.82 | 2.39 | 1.86 | 1.07 | 0.87 | 1.68 | 1.85 | 0.82 | 0.74 | 0.57 | 0.97 | NA | 0.48 | 0.90 | 0.42 | 0.79 | NA | NA | 0.61 | 0.78 | 0.41 | 0.86 | 1.03 | 0.71 | 1.37 | 0.72 | 5.12 | 0.88 | 1.14 | 0.94 | 1.46 | 0.63 | 1.10 | 0.62 | 0.98 | NA |
GALACTURONIC ACID (CAS# 91510-62-2); (M-H)- | ME195712 | 0.89 | 0.55 | 0.25 | 0.58 | 0.73 | 2.00 | 0.71 | 1.04 | NA | NA | 0.63 | NA | 0.40 | NA | 1.04 | 0.62 | NA | 0.80 | 0.48 | NA | 0.52 | NA | 1.83 | NA | 1.27 | 0.33 | 0.96 | NA | NA | 0.39 | 1.08 | 0.47 | 2.87 | 0.28 | NA | 0.70 | 2.69 | NA | NA | NA | 1.66 | NA | 0.25 | NA | NA | NA | NA |
GLUCONIC ACID (CAS# 526-95-4); (M-H)- | ME195718 | 3.98 | 2.88 | 0.92 | 1.27 | 1.03 | 1.28 | 0.86 | 1.16 | 1.39 | 0.84 | 1.17 | 0.48 | 0.59 | 0.40 | 0.68 | 1.04 | 0.78 | 1.23 | 0.78 | 0.64 | 0.82 | 0.52 | 2.69 | 1.12 | 1.29 | 1.00 | 1.75 | 0.84 | 0.80 | 0.68 | 1.03 | 1.05 | 1.17 | 0.94 | 0.52 | 0.70 | 0.51 | 2.36 | 1.15 | 0.52 | 0.65 | 0.90 | 0.25 | 0.93 | 0.39 | 0.54 | NA |
N-ACETYLGALACTOSAMINE (CAS# 1811-31-0); (M+CL)- | ME195782 | 0.92 | 1.71 | 0.80 | NA | 1.16 | 0.77 | NA | NA | 0.91 | 0.81 | 1.03 | 0.93 | 1.25 | 0.91 | 0.70 | 0.76 | 0.96 | 0.69 | NA | 0.92 | 1.10 | 0.74 | NA | NA | NA | 1.21 | 0.82 | NA | 0.88 | 0.99 | 0.94 | NA | 1.34 | 1.31 | 0.69 | NA | 1.22 | 1.62 | 1.00 | 0.83 | 1.45 | 1.03 | NA | 1.28 | NA | 1.09 | NA |
4-NITROPHENOL (CAS# 100-02-7); (M-H)- | ME195639 | 0.92 | 0.99 | 2.11 | 1.35 | 0.95 | 1.01 | 0.91 | 0.49 | 0.84 | NA | 0.94 | 0.82 | 1.10 | NA | 0.73 | 0.74 | 1.16 | 1.53 | 0.76 | 0.67 | 0.96 | 0.79 | 0.91 | 1.24 | 1.01 | NA | 0.87 | 1.01 | NA | 0.91 | 0.80 | 0.95 | 0.79 | 1.37 | 0.90 | NA | 1.06 | 1.03 | 1.19 | 0.90 | 1.29 | 1.13 | NA | 0.97 | 0.41 | 0.70 | NA |
CIS-ZEATIN (CAS# 1637-39-4); (M-H)- | ME195678 | 1.07 | 1.12 | 0.86 | 1.02 | 0.95 | 1.10 | 1.00 | 0.93 | 0.91 | 0.86 | 1.07 | 0.93 | 1.24 | 1.06 | 0.87 | 0.82 | 1.12 | 1.20 | 0.96 | 0.84 | 1.15 | 0.95 | 1.14 | 1.04 | 1.05 | 1.26 | 0.80 | 1.12 | 0.97 | 1.16 | 1.02 | 1.07 | 0.91 | 1.07 | 0.99 | 0.83 | 1.07 | 1.19 | 1.16 | 0.89 | 1.10 | 1.27 | 0.94 | 1.02 | 0.72 | 0.93 | NA |
3-METHYLXANTHINE (CAS# 1076-22-8); (M-H)- | ME195626 | 6.20 | 3.12 | 0.91 | 0.87 | 0.70 | 0.56 | 0.23 | 0.49 | 1.97 | 1.00 | 1.09 | 0.88 | 1.09 | 0.05 | 0.36 | 0.49 | 0.74 | 2.46 | 0.42 | 0.90 | 0.65 | 0.83 | 4.60 | 1.18 | 0.78 | 1.32 | 1.13 | 0.69 | 0.10 | NA | 2.04 | 0.30 | 1.42 | 1.32 | 0.23 | 0.18 | 0.33 | 0.32 | 0.34 | 0.32 | 0.60 | 0.26 | 0.27 | 1.22 | 0.42 | 1.26 | NA |
NORLEUCINE (CAS# 327-57-1); (M-H)- | ME195793 | NA | 0.39 | 0.71 | 1.36 | 0.92 | 0.97 | 0.48 | 0.58 | 0.72 | 0.99 | NA | 1.21 | 1.13 | 0.98 | 0.42 | 1.24 | 0.78 | 1.21 | 0.78 | 0.83 | 1.46 | 1.06 | NA | NA | 1.67 | 0.90 | 0.72 | NA | 1.26 | 1.19 | 1.46 | 1.23 | 0.61 | 1.74 | 0.55 | 1.37 | 0.73 | 2.09 | 0.60 | 0.77 | 0.80 | NA | NA | 1.18 | NA | 0.97 | NA |
FRUCTOSE (CAS# 57-48-7); (M+CL)- | ME195710 | 1.97 | 1.40 | 0.80 | 1.05 | 1.04 | 1.01 | 0.82 | 0.69 | 1.24 | 0.74 | 1.18 | 0.85 | 0.92 | 0.82 | 0.85 | 0.85 | 0.97 | 1.10 | 0.99 | 0.68 | 1.13 | 0.82 | 1.79 | 1.40 | 1.10 | 1.37 | 1.01 | 1.32 | 0.83 | 1.14 | 0.97 | 1.07 | 1.18 | 1.08 | 0.79 | 0.84 | 0.95 | 1.16 | 1.09 | 0.85 | 0.98 | 1.13 | 0.80 | 0.99 | 0.55 | 0.82 | NA |
LAURIC ACID (CAS# 143-07-7); (M-H)- | ME195758 | 0.98 | 0.87 | 0.58 | 0.67 | 0.79 | 0.89 | 0.64 | 0.46 | 1.05 | 0.96 | 0.99 | 0.91 | 0.50 | 0.43 | 0.71 | 1.27 | 0.90 | 1.81 | 1.59 | 0.90 | 1.00 | 0.74 | 0.55 | 0.67 | 1.09 | 0.59 | 0.94 | 0.77 | 0.69 | 0.65 | 0.95 | 1.69 | 0.89 | 1.80 | 0.76 | 1.12 | 1.01 | 1.19 | 1.41 | 0.96 | 1.17 | 0.86 | 0.59 | 0.83 | 1.04 | 1.31 | NA |
PHENYL ACETATE (CAS# 122-79-2); (M+HCOO)- | ME195805 | 1.16 | 1.66 | 0.84 | 1.30 | 1.06 | 1.33 | 2.50 | 1.65 | 1.44 | 0.79 | 1.18 | 1.05 | 1.75 | 1.13 | 0.50 | 0.37 | 0.99 | 0.94 | 1.10 | 0.67 | 0.86 | 0.70 | 1.04 | 0.68 | 1.05 | 0.87 | 0.63 | 1.05 | 0.80 | 0.60 | 1.19 | 1.66 | 1.55 | 1.15 | 0.90 | 0.60 | 1.06 | 0.69 | 1.27 | 0.84 | 0.74 | 1.10 | 0.90 | 1.05 | 0.45 | 0.85 | NA |
URIDINE (CAS# 58-96-8); (M+CL)- | ME195846 | 0.20 | 0.25 | 0.48 | 0.93 | 0.72 | 0.69 | 0.92 | 0.95 | 1.43 | 1.38 | 1.22 | 1.20 | 1.83 | 0.60 | 0.51 | 0.99 | 1.06 | 0.85 | 0.68 | 0.88 | 0.62 | 0.76 | 0.70 | 0.39 | 1.26 | 1.45 | 0.92 | 1.11 | 0.83 | 0.69 | 1.37 | 1.42 | 0.75 | 1.27 | 0.80 | 1.21 | 0.60 | 5.90 | 1.24 | 0.94 | 0.78 | 1.81 | 0.77 | 1.67 | 0.74 | 0.70 | NA |
DEOXYADENOSINE (CAS# 16373-93-6); (M+CL)- | ME195699 | 0.92 | 0.94 | 0.93 | 0.94 | 0.78 | 1.19 | 0.68 | 0.57 | 1.11 | 0.88 | 1.01 | 1.07 | 1.35 | NA | 0.75 | 0.93 | 1.31 | 0.95 | 1.05 | 1.10 | 1.01 | 1.02 | NA | 1.05 | 0.98 | 1.02 | 0.77 | 1.01 | 0.95 | 1.02 | 1.28 | 1.25 | 0.88 | 1.34 | 1.20 | 0.94 | 0.58 | 0.62 | 1.11 | 1.00 | 0.84 | 1.56 | 1.07 | 1.23 | 1.02 | 1.01 | NA |
GLUTAMINE (CAS# 56-85-9); (M-H)- | ME195723 | 1.50 | 0.82 | 0.95 | NA | 1.45 | 0.95 | NA | NA | 1.13 | 0.66 | 1.53 | 0.78 | NA | NA | 0.96 | 0.88 | NA | 0.79 | 0.69 | NA | NA | 0.66 | NA | 1.09 | 1.01 | NA | 0.91 | 1.19 | NA | NA | 1.10 | 1.14 | 1.38 | 0.84 | 0.87 | 1.01 | 0.83 | NA | 1.12 | NA | 1.10 | NA | NA | NA | NA | 0.76 | NA |
PURINE (CAS# 120-73-0); (M-H)- | ME195812 | 0.86 | 0.78 | 0.84 | 2.67 | 1.04 | 1.19 | 0.96 | 0.47 | 0.62 | 0.74 | 0.98 | 1.03 | 1.13 | 0.89 | 0.75 | 2.30 | 1.12 | 1.16 | 0.89 | 0.80 | 1.20 | 0.55 | 1.48 | 1.64 | 0.96 | 1.64 | 0.66 | 1.20 | 0.63 | 1.07 | 1.47 | 0.77 | 0.81 | 0.94 | 0.62 | 0.87 | 0.94 | 0.45 | 1.17 | 0.47 | 0.61 | 1.09 | 0.95 | 0.88 | 0.99 | 0.68 | NA |
5^-METHYLTHIOADENOSINE (CAS# 2457-80-9); (M+CL)- | ME195643 | NA | 0.93 | 1.45 | 1.08 | 1.64 | 1.10 | 1.65 | 1.78 | 1.12 | 0.63 | 0.62 | 0.92 | NA | NA | 0.59 | 0.78 | 1.12 | 1.13 | 1.04 | NA | 1.57 | 1.76 | NA | 0.45 | 1.23 | 0.97 | 0.65 | 0.99 | 0.84 | NA | 0.81 | 1.49 | 0.94 | 0.71 | 0.71 | 0.63 | 1.05 | 1.06 | 0.56 | 0.60 | 0.98 | 0.99 | 0.95 | 1.27 | 0.54 | 0.93 | NA |
DEOXYURIDINE (CAS# 951-78-0); (M+CL)- | ME195701 | NA | 0.98 | 0.53 | 0.17 | 1.15 | 0.84 | NA | NA | 1.54 | 0.89 | 1.33 | 1.38 | 1.08 | 0.51 | 1.00 | 0.78 | 0.99 | 0.75 | 0.55 | 1.33 | 0.66 | 1.51 | 0.95 | NA | 1.12 | 1.10 | 1.04 | 1.21 | NA | 0.40 | 1.10 | 0.53 | 0.92 | 1.58 | 0.67 | 1.13 | 0.79 | 1.88 | 1.27 | 1.29 | 0.73 | 1.62 | 0.70 | 1.24 | NA | 0.97 | NA |
PALMITOLEIC ACID (CAS# 373-49-9); (M-H)- | ME195801 | 0.49 | 0.61 | 0.77 | 0.80 | 1.18 | 0.83 | 0.55 | 0.23 | 1.00 | 1.22 | 1.15 | 1.15 | 0.77 | 0.52 | 0.72 | 0.85 | 1.10 | 1.48 | 1.99 | 1.00 | 0.82 | 0.96 | 0.95 | 0.84 | 0.84 | 0.48 | 0.95 | 0.85 | 0.39 | 0.45 | 1.00 | 1.45 | 0.74 | 1.72 | 0.92 | 1.13 | 0.50 | 1.79 | 1.43 | 1.16 | 0.88 | 1.19 | 0.51 | 1.13 | 1.01 | 1.38 | NA |
L-RHAMNOSE (CAS# 10030-85-0); (M+CL)- | ME195751 | 0.38 | 0.98 | 0.87 | 0.83 | 1.10 | 0.88 | NA | NA | 1.05 | 0.72 | 1.08 | 0.81 | 1.25 | 0.60 | 1.09 | 0.50 | 0.93 | 1.24 | 0.60 | 0.79 | 0.73 | 0.52 | 0.72 | 0.42 | 1.17 | 0.86 | 1.10 | 0.91 | 1.48 | 1.83 | 1.05 | 1.55 | 0.87 | 1.37 | 0.92 | 1.05 | 1.12 | 1.19 | 1.55 | 1.05 | 1.07 | 0.96 | 1.23 | 1.07 | 0.87 | 0.85 | NA |
D-TAGATOSE (CAS# 87-81-0); (M+CL)- | ME195696 | 1.98 | 1.40 | 0.80 | 1.05 | 1.04 | 1.01 | 0.82 | 0.69 | 1.24 | 0.74 | 1.18 | 0.85 | 0.92 | 0.81 | 0.85 | 0.85 | 0.97 | 1.10 | 0.98 | 0.68 | 1.13 | 0.82 | 1.79 | 1.40 | 1.10 | 1.37 | 1.01 | 1.32 | 0.83 | 1.14 | 0.97 | 1.08 | 1.18 | 1.08 | 0.79 | 0.84 | 0.95 | 1.16 | 1.09 | 0.85 | 0.98 | 1.13 | 0.80 | 0.99 | 0.55 | 0.82 | NA |
DECANOATE (CAS# 334-48-5); (M-H)- | ME195697 | 1.87 | 1.05 | 0.69 | 0.98 | 0.95 | 0.89 | 0.95 | 0.78 | 1.35 | 0.98 | 1.19 | 0.83 | 0.89 | 0.89 | 0.70 | 1.24 | 0.68 | 1.39 | 1.16 | 0.90 | 0.85 | 0.32 | 0.90 | 0.96 | 1.06 | 1.15 | 0.94 | 0.81 | NA | 0.89 | 0.76 | 0.85 | 0.91 | 1.24 | 1.17 | 0.81 | 1.37 | 1.35 | 1.21 | 0.72 | 1.59 | 1.04 | 0.57 | 0.56 | NA | 0.85 | NA |
DEOXYCHOLIC ACID (CAS# 83-44-3); (M-H)- | ME195700 | 0.56 | 0.92 | 0.27 | 0.51 | 0.19 | 0.64 | 2.16 | NA | 1.57 | 1.33 | 0.68 | 1.34 | NA | 0.21 | 0.94 | 1.73 | 0.60 | 0.65 | 2.03 | 1.42 | 0.55 | 2.32 | NA | NA | 0.74 | 0.59 | 0.28 | 1.93 | NA | NA | 1.88 | NA | 1.88 | NA | NA | 0.38 | 0.98 | 2.50 | 0.42 | NA | 0.67 | NA | NA | 1.19 | 0.37 | 0.97 | NA |
4-ACETAMIDOBUTANOATE (CAS# 3025-96-5); (M-H)- | ME195629 | 1.55 | 1.82 | 0.78 | 0.79 | 0.19 | 0.83 | 1.52 | 1.46 | 1.02 | 1.53 | NA | 1.05 | NA | NA | 0.50 | 0.35 | NA | 0.78 | 0.62 | 0.97 | 1.16 | 0.84 | 1.63 | NA | 0.86 | NA | 1.20 | 0.44 | NA | NA | 0.56 | 1.13 | 0.74 | 0.88 | 0.63 | 0.73 | NA | 3.12 | 1.04 | NA | NA | 1.67 | NA | 0.74 | NA | NA | NA |
URIDINE (CAS# 58-96-8); (M+HCOO)- | ME195847 | NA | NA | 0.86 | 0.95 | 0.94 | 0.60 | 0.48 | 0.81 | 0.93 | 1.05 | 1.11 | 0.72 | 1.76 | 0.56 | 0.71 | 1.02 | 1.15 | 0.87 | 0.54 | 0.97 | 1.00 | 0.78 | 0.99 | NA | 1.02 | 1.53 | 1.04 | 1.12 | 0.96 | 1.09 | 1.13 | 1.22 | 0.89 | 1.01 | 0.85 | 1.03 | 0.64 | 4.43 | 1.07 | 0.96 | 0.89 | 1.83 | NA | 1.40 | 0.57 | 0.61 | NA |
CORTISONE (CAS# 53-06-5); (M+HCOO)- | ME195688 | 1.04 | 0.74 | 0.72 | 0.67 | 0.91 | 0.81 | 0.55 | 0.65 | 1.13 | 0.86 | 0.87 | 1.27 | 0.74 | 0.63 | 0.93 | 0.91 | 0.99 | 0.96 | 1.20 | 1.39 | 0.73 | 0.92 | 0.82 | 0.86 | 1.00 | 1.25 | 0.94 | 1.50 | 1.02 | 1.24 | 1.03 | 1.29 | 0.78 | 1.23 | 0.86 | 0.96 | 0.74 | 2.11 | 1.22 | 0.83 | 0.98 | 1.76 | 1.46 | 1.52 | 1.23 | 1.29 | NA |
INOSINE (CAS# 58-63-9); (M+CL)- | ME195740 | NA | NA | 0.92 | 0.64 | 0.80 | 1.15 | 2.06 | 1.44 | 2.01 | 1.09 | 0.52 | 0.40 | 1.27 | 1.39 | 0.63 | 0.69 | 1.37 | 1.41 | NA | 1.64 | 0.45 | 0.57 | 1.31 | 2.57 | 1.09 | 0.74 | 1.59 | 1.91 | 0.74 | 0.41 | 1.03 | 0.61 | 0.06 | NA | 0.93 | NA | 0.49 | 0.87 | 1.56 | 1.31 | 0.79 | 0.87 | 1.36 | 0.81 | NA | 1.12 | NA |
ZEATIN [ISTD] (CAS# 13114-27-7); (M-H)- | ME195855 | 1.07 | 1.12 | 0.86 | 1.02 | 0.95 | 1.10 | 1.00 | 0.93 | 0.91 | 0.86 | 1.07 | 0.93 | 1.24 | 1.06 | 0.87 | 0.82 | 1.12 | 1.20 | 0.96 | 0.83 | 1.15 | 0.95 | 1.14 | 1.04 | 1.05 | 1.26 | 0.80 | 1.12 | 0.97 | 1.16 | 1.02 | 1.07 | 0.91 | 1.07 | 0.99 | 0.83 | 1.07 | 1.19 | 1.16 | 0.89 | 1.10 | 1.27 | 0.94 | 1.02 | 0.72 | 0.93 | NA |
MYRISTOLEIC ACID (CAS# 544-64-9); (M-H)- | ME195775 | 0.30 | 0.46 | 0.74 | 0.44 | 1.23 | 0.57 | 0.27 | 0.37 | 1.08 | 1.46 | 1.32 | 1.24 | 0.43 | 0.31 | 0.69 | 1.03 | 0.86 | 1.40 | 2.78 | 0.94 | 0.67 | 0.83 | 0.61 | 0.45 | 0.94 | 0.43 | 0.91 | 0.63 | 0.30 | 0.24 | 0.82 | 1.62 | 0.97 | 2.03 | 0.97 | 1.00 | 0.46 | 1.90 | 1.99 | 1.19 | 0.90 | 1.28 | 0.37 | 1.19 | 0.69 | 1.32 | NA |
HYODEOXYCHOLATE (CAS# 83-49-8); (M-H)- | ME195733 | 0.81 | 0.79 | 0.83 | 0.66 | 0.75 | 3.00 | 0.88 | 3.72 | 3.78 | 0.68 | 2.10 | 0.83 | 1.45 | 0.68 | 0.69 | 0.69 | 0.98 | 0.74 | 0.38 | 0.59 | 0.77 | 0.95 | 0.67 | 0.81 | 0.84 | 0.99 | 0.90 | 0.80 | 0.64 | 0.82 | 0.73 | 0.82 | 1.95 | 1.06 | 0.60 | 1.00 | 0.76 | 1.21 | 0.75 | 0.63 | 0.72 | 0.81 | 0.81 | 0.56 | 0.66 | 0.74 | NA |
URSODIOL (CAS# 128-13-2); (M-H)- | ME195850 | 0.51 | 0.85 | NA | 0.46 | 0.17 | 0.58 | 1.99 | NA | 1.44 | 1.21 | 0.62 | 1.23 | NA | 0.19 | 0.86 | 1.59 | NA | 0.59 | 1.86 | 1.30 | 1.85 | 1.11 | NA | NA | 0.58 | 0.54 | 0.25 | 1.78 | NA | NA | 1.71 | NA | 1.73 | NA | NA | 0.35 | 0.88 | 2.30 | 0.49 | NA | 0.61 | NA | NA | 1.82 | NA | 0.89 | NA |
ARACHIDIC ACID (CAS# 506-30-9); (M-H)- | ME195658 | 0.92 | 0.84 | 0.78 | 0.83 | 0.53 | 1.35 | 1.42 | 0.63 | 1.10 | 0.77 | 1.16 | 0.92 | 1.58 | 0.61 | 0.69 | 0.77 | 1.59 | 1.18 | 1.49 | 0.63 | 0.82 | 0.68 | 1.06 | 0.81 | 1.11 | 0.92 | 1.16 | 0.92 | 0.88 | 0.97 | 0.78 | 1.44 | 0.86 | 1.99 | 0.66 | 1.04 | 0.60 | 1.38 | 1.25 | 1.19 | 0.80 | 0.54 | 1.04 | 0.70 | 1.70 | 1.13 | NA |
RETINOATE (CAS# 302-79-4); (M-H)- | ME195817 | 1.29 | 1.12 | 0.96 | 0.98 | 0.94 | 0.97 | 1.50 | 0.78 | 1.24 | 1.06 | 1.10 | 0.96 | 0.90 | 0.94 | 0.86 | 1.02 | 1.00 | 1.20 | 0.92 | 0.91 | 1.06 | 0.74 | 0.98 | 1.01 | 0.96 | 1.23 | 0.82 | 1.39 | 0.91 | 1.20 | 1.05 | 1.19 | 0.99 | 1.14 | 0.89 | 0.77 | 0.88 | 1.13 | 1.09 | 1.09 | 0.93 | 0.92 | 1.18 | 0.75 | 0.97 | 1.16 | NA |
1-METHYLURIC ACID (CAS# 708-79-2); (M-H)- | ME195598 | 1.17 | 0.58 | 0.57 | 1.20 | 0.88 | 0.69 | 0.83 | 0.90 | 1.53 | 1.51 | 0.91 | 1.89 | 0.62 | 0.14 | 0.54 | 0.62 | 0.72 | 2.73 | 0.59 | 0.83 | 0.77 | 0.97 | 0.53 | 0.26 | 0.76 | 0.98 | 2.06 | 0.68 | NA | NA | 1.13 | 0.80 | 1.68 | 1.48 | NA | 0.43 | 0.69 | 0.39 | 0.96 | 0.43 | NA | 0.54 | 1.50 | 1.09 | 0.52 | 2.17 | NA |
GLYCERALDEHYDE (CAS# 367-47-5); (2M-H)-[-H2O] | ME195724 | 2.66 | 2.36 | 0.29 | 1.33 | 0.38 | 1.16 | NA | 1.28 | 1.26 | 0.78 | 1.05 | NA | NA | NA | 0.71 | 1.73 | NA | 0.30 | 1.27 | NA | 1.13 | 1.08 | NA | NA | NA | NA | 0.83 | NA | 0.72 | NA | 1.71 | 0.59 | 0.51 | 1.77 | NA | 1.09 | 0.71 | NA | 0.38 | 0.53 | 0.73 | 1.77 | 0.41 | 1.14 | 0.63 | 0.76 | NA |
3BETA-HYDROXYANDROST-5-EN-17-ONE 3-SULFATE (CAS# ); (M-H)- | ME195628 | 0.34 | 0.38 | 0.40 | 1.30 | 0.44 | 1.25 | 0.85 | 0.72 | 0.40 | 0.59 | 0.25 | 1.07 | 1.68 | 1.39 | 0.52 | 2.44 | 0.81 | 0.57 | 2.88 | 0.92 | 2.81 | 2.48 | 0.80 | 0.59 | 0.98 | 0.89 | 0.99 | 1.25 | 0.48 | 0.66 | 1.19 | 0.90 | 0.79 | 0.93 | 0.74 | 1.38 | 0.37 | 1.78 | 0.93 | 1.58 | 0.48 | 1.52 | 0.75 | 0.35 | 0.67 | 0.33 | NA |
TYROSINE (CAS# 60-18-4); (M-H)- | ME195843 | 0.71 | 0.58 | 0.68 | 0.81 | 0.84 | 0.68 | 1.03 | 0.96 | 1.59 | 1.18 | 1.55 | 1.18 | 1.21 | 0.72 | 0.58 | 0.90 | 1.06 | 1.13 | 0.85 | 0.78 | 0.96 | 0.74 | 0.95 | 0.72 | 1.10 | 1.32 | 0.87 | 1.31 | 0.76 | 0.97 | 1.47 | 1.25 | 1.05 | 1.06 | 0.80 | 1.12 | 1.00 | 1.59 | 1.30 | 0.97 | 1.02 | 1.29 | 0.80 | 1.27 | 0.48 | 0.74 | NA |
MALTOSE (CAS# 69-79-4); (M+CL)- | ME195766 | 1.28 | 1.53 | 1.54 | 0.95 | 0.84 | 0.79 | 1.55 | 1.05 | 0.47 | 1.51 | 1.03 | 0.46 | 0.59 | 0.65 | 0.55 | NA | 0.33 | 0.79 | 0.43 | 0.18 | 1.06 | 0.51 | NA | 0.44 | 1.08 | NA | 1.36 | 0.42 | 0.30 | 0.34 | 1.20 | 0.36 | 1.05 | 0.69 | 0.31 | 1.06 | 4.51 | 1.23 | 0.46 | 0.32 | 2.82 | 0.34 | NA | 0.39 | 0.21 | 0.48 | NA |
D-LYXOSE (CAS# 1114-34-7); (M+HCOO)- | ME195692 | 3.70 | 2.63 | 1.00 | 1.24 | 1.16 | 1.25 | 0.82 | 1.08 | 1.36 | 0.82 | 1.14 | 0.58 | 0.58 | 0.39 | 0.70 | 1.01 | 0.66 | 1.23 | 0.76 | 0.62 | 0.86 | 0.60 | 2.62 | 1.09 | 1.26 | 0.98 | 1.72 | 0.82 | 0.79 | 0.66 | 0.85 | 0.99 | 1.15 | 0.93 | 0.51 | 0.69 | 0.54 | 2.31 | 1.12 | NA | 0.63 | 0.88 | 0.24 | 0.90 | 0.49 | 0.52 | NA |
TRANS-VACCENIC ACID (CAS# 693-72-1); (M-H)- | ME195835 | 1.02 | 0.86 | 0.87 | 0.93 | 1.00 | 1.01 | 1.04 | 0.72 | 1.15 | 1.01 | 1.09 | 0.98 | 0.84 | 0.74 | 0.76 | 0.83 | 1.19 | 1.29 | 1.41 | 0.88 | 0.98 | 0.93 | 0.88 | 0.83 | 0.90 | 1.02 | 0.93 | 1.01 | 0.77 | 0.96 | 0.99 | 1.27 | 0.93 | 1.47 | 0.83 | 0.96 | 0.80 | 1.44 | 1.20 | 1.04 | 0.96 | 0.93 | 0.88 | 0.89 | 1.00 | 1.17 | NA |
D-(-)-ARABINOSE (CAS# 10323-20-3); (M+HCOO)- | ME195690 | 3.84 | 2.78 | 0.89 | 1.23 | 1.14 | 1.24 | 0.83 | 1.12 | 1.34 | 0.81 | 1.13 | 0.57 | 0.57 | 0.39 | 0.71 | 1.00 | 0.76 | 1.19 | 0.75 | 0.61 | 0.86 | 0.60 | 2.60 | 1.08 | 1.25 | 0.97 | 1.69 | 0.81 | 0.78 | 0.65 | 0.99 | 1.02 | 1.14 | 0.91 | 0.51 | 0.68 | 0.53 | 2.28 | 1.11 | NA | 0.63 | 0.87 | 0.24 | 0.89 | 0.38 | 0.52 | NA |
MANDELIC ACID (CAS# 611-71-2); (M-H)- | ME195767 | 1.46 | 6.24 | 1.18 | 0.86 | 0.88 | 1.38 | 0.50 | 0.15 | 0.39 | 2.00 | 0.25 | 0.26 | 0.06 | 0.51 | 1.48 | 0.72 | 0.76 | 1.05 | 0.52 | 0.35 | 0.89 | 0.81 | 0.11 | 0.12 | 0.64 | 0.26 | 0.98 | 0.46 | 1.79 | 2.06 | 0.38 | 0.77 | 0.46 | 0.88 | 1.09 | 0.67 | 1.28 | 8.77 | 1.71 | 0.19 | 0.91 | 5.36 | 0.23 | 0.16 | 0.12 | 0.17 | NA |
DOCOSAHEXAENOIC ACID (CAS# 6217-54-5 ); (M-H)- | ME195703 | 0.77 | 0.93 | 0.56 | 1.06 | 0.55 | 1.61 | 0.95 | 0.75 | 0.60 | 0.99 | 0.68 | 1.19 | 1.06 | 0.62 | 0.51 | 2.08 | 1.28 | 0.80 | 2.32 | 1.09 | 1.20 | 1.19 | 1.00 | 0.74 | 0.88 | 0.55 | 0.82 | 0.80 | 0.98 | 0.86 | 1.00 | 1.02 | 1.21 | 1.37 | 0.97 | 0.67 | 0.68 | 1.50 | 1.78 | 0.55 | 0.92 | 1.72 | 0.57 | 0.89 | 0.85 | 1.01 | NA |
GIBBERELLIC ACID [ISTD] (CAS# 77-06-5); (M-H)- | ME195716 | 0.94 | 0.92 | 1.09 | 0.97 | 1.07 | 0.98 | 0.93 | 0.80 | 0.83 | 0.84 | 0.87 | 0.97 | 1.47 | 1.14 | 0.97 | 0.91 | 1.13 | 1.38 | 0.92 | 0.89 | 0.96 | 0.92 | 0.88 | 0.91 | 0.97 | 1.09 | 0.79 | 0.96 | 0.79 | 1.10 | 1.00 | 1.06 | 0.78 | 1.11 | 0.91 | 1.05 | 1.01 | 1.82 | 1.12 | 1.04 | 1.10 | 1.25 | 0.95 | 1.10 | 0.74 | 0.97 | NA |
BENZOATE (CAS# 65-85-0); (M-H)- | ME195663 | 1.30 | 1.31 | 0.77 | 1.09 | 0.87 | 1.09 | 3.00 | 1.73 | 0.72 | 1.07 | 0.90 | 0.76 | 0.59 | 0.39 | 0.59 | 1.32 | 0.91 | 0.79 | NA | 0.62 | 0.76 | 0.86 | 0.71 | 0.49 | 1.17 | 1.73 | 1.04 | 2.02 | NA | 1.02 | 0.86 | 0.89 | 1.47 | 1.58 | 0.55 | 0.48 | 0.83 | 1.41 | 1.15 | 0.73 | 0.71 | 2.28 | 0.58 | 1.05 | NA | NA | NA |
CORTISOL (CAS# 50-23-7); (M+CL)- | ME195684 | 1.84 | 0.76 | 0.72 | 0.61 | 0.83 | 1.01 | 0.85 | 1.09 | 1.05 | 0.70 | 0.77 | 1.49 | 0.44 | 0.50 | 1.03 | 0.73 | 0.72 | 1.00 | 1.55 | 1.62 | 0.56 | 0.88 | 0.88 | 1.47 | 1.03 | 0.88 | 1.10 | 1.52 | 0.85 | 0.86 | 1.28 | 1.28 | 0.78 | 1.26 | 0.65 | 0.78 | 0.55 | 1.97 | 0.87 | 0.50 | 1.10 | 1.78 | 1.40 | 1.10 | 1.83 | 1.24 | NA |
SALICYLATE (CAS# 69-72-7); (M-H)- | ME195821 | 0.26 | 0.08 | 0.06 | 0.04 | 0.04 | 0.20 | 0.08 | 0.10 | 12.07 | 0.07 | 8.12 | 0.05 | NA | 0.02 | 0.39 | 0.05 | 0.11 | 1.05 | 0.05 | 0.10 | 0.15 | 0.07 | 2.95 | 4.10 | 0.19 | 0.15 | 0.08 | NA | 4.95 | 0.43 | 0.10 | 2.26 | 0.05 | 1.04 | 0.04 | 0.03 | 3.33 | 0.38 | 0.07 | 0.01 | 0.04 | 0.22 | 0.03 | 0.20 | 0.01 | 0.05 | NA |
ARACHIDONATE (CAS# 506-32-1); (M-H)- | ME195659 | 1.18 | 1.25 | 0.67 | 1.13 | 0.73 | 0.99 | 1.34 | 1.04 | 0.91 | 1.01 | 0.94 | 0.99 | 1.42 | 0.94 | 0.68 | 0.85 | 1.26 | 0.96 | 1.22 | 0.98 | 0.86 | 0.81 | 1.17 | 0.98 | 0.78 | 1.43 | 0.85 | 1.23 | 0.87 | 0.91 | 1.15 | 1.40 | 1.07 | 1.44 | 0.66 | 1.13 | 0.92 | 1.36 | 0.88 | 0.99 | 0.94 | 1.49 | 1.14 | 0.96 | 1.15 | 1.21 | NA |
CORTISONE (CAS# 53-06-5); (M+CL)- | ME195687 | 1.06 | 0.68 | 0.74 | 0.68 | 0.91 | 0.77 | 0.59 | 0.72 | 1.01 | 0.90 | 0.86 | 1.29 | 0.73 | 0.64 | 0.97 | 0.92 | 0.98 | 0.94 | 1.24 | 1.34 | 0.68 | 0.97 | 0.79 | 0.94 | 1.00 | 1.31 | 0.90 | 1.37 | 1.06 | 1.26 | 1.01 | 1.27 | 0.82 | 1.25 | 0.85 | 0.99 | 0.73 | 2.17 | 1.17 | 0.82 | 0.96 | 1.77 | 1.44 | 1.49 | 1.29 | 1.35 | NA |
INOSINE (CAS# 58-63-9); (M-H)- | ME195741 | 3.24 | 3.79 | 0.64 | 0.61 | 0.92 | 0.97 | 2.40 | 1.71 | 1.41 | 0.76 | 0.42 | 0.49 | 0.35 | 1.55 | 0.75 | 1.04 | 1.84 | 1.74 | NA | 1.24 | 0.54 | 0.61 | 1.26 | 3.52 | 0.84 | 0.87 | 0.82 | 2.70 | 0.42 | 0.37 | 0.98 | 0.58 | 0.22 | 0.10 | 1.14 | 0.33 | 0.57 | 1.28 | 1.06 | 1.71 | 1.03 | 0.25 | 1.82 | 0.92 | 0.23 | 1.16 | NA |
PALATINOSE (CAS# 343336-76-5); (M+CL)- | ME195799 | 1.28 | 1.53 | 1.55 | 0.95 | 0.79 | 0.80 | 1.55 | 1.06 | 0.47 | 1.45 | 1.03 | 0.46 | 0.60 | 0.65 | 0.55 | NA | 0.30 | 0.77 | 0.44 | 0.18 | 1.07 | 0.52 | NA | 0.44 | 1.08 | NA | 1.37 | 0.36 | 0.30 | 0.34 | 1.20 | 0.36 | 1.11 | 0.69 | 0.32 | 1.07 | 4.53 | 1.23 | 0.46 | 0.32 | 2.83 | 0.34 | NA | 0.40 | 0.21 | 0.49 | NA |
1-METHYLADENOSINE (CAS# 15763-06-1); (M+CL)- | ME195596 | 1.65 | 0.97 | NA | 1.31 | 0.82 | 0.94 | 1.35 | 0.74 | 1.17 | 0.88 | 1.35 | 1.50 | NA | NA | NA | 0.50 | 1.07 | 0.83 | 0.77 | 0.87 | NA | 1.13 | 1.18 | NA | 1.14 | NA | NA | NA | NA | NA | 1.08 | 0.99 | 0.65 | 1.03 | 0.96 | NA | NA | 1.70 | 0.72 | 0.78 | 0.77 | NA | 1.18 | 0.75 | 0.52 | 0.71 | NA |
CIS-11-EICOSENOIC ACID (CAS# 5561-99-9); (M-H)- | ME195674 | 0.93 | 0.69 | 0.70 | 0.83 | 0.61 | 1.46 | 1.01 | 0.37 | 0.90 | 0.76 | 1.24 | 1.19 | 1.31 | 0.39 | 0.53 | 0.84 | 1.76 | 1.07 | 1.88 | 0.69 | 0.97 | 0.94 | 1.29 | 0.69 | 0.90 | 0.52 | 1.06 | 0.57 | 0.54 | 0.57 | 0.83 | 1.61 | 0.75 | 2.53 | 0.66 | 1.07 | 0.29 | 2.02 | 1.22 | 1.22 | 0.57 | 0.68 | 0.81 | 0.87 | 1.98 | 1.32 | NA |
HEXACOSANOIC ACID (CAS# 506-46-7); (M-H)- | ME195730 | 0.76 | 1.10 | 0.91 | 1.05 | 0.72 | 1.09 | 1.73 | 1.04 | 1.37 | 0.66 | 0.95 | 1.01 | 1.50 | 1.05 | 0.71 | 0.89 | 0.97 | 1.09 | 1.87 | 0.71 | 1.10 | 0.75 | 1.04 | 1.20 | 1.72 | 1.00 | 0.82 | 0.95 | 0.78 | 1.21 | 0.80 | 1.51 | 0.60 | 1.12 | 0.68 | 1.13 | 0.71 | 0.96 | 0.67 | 0.90 | 0.77 | 0.88 | 1.16 | 0.99 | 0.90 | 1.08 | NA |
PARAXANTHINE (CAS# 611-59-6); (M-H)- | ME195804 | 2.28 | 1.14 | 1.22 | 0.95 | 1.42 | 1.00 | 0.18 | 0.42 | 1.29 | 1.52 | 1.01 | 1.05 | 0.67 | 0.44 | 0.54 | 0.72 | 1.14 | 1.80 | 1.42 | 0.72 | 1.01 | 0.65 | 0.51 | 0.67 | 0.85 | 2.77 | 1.03 | 1.94 | 0.03 | 0.03 | 1.38 | 0.51 | 1.66 | 0.97 | 1.22 | 0.35 | 0.39 | 0.85 | 1.66 | 0.81 | 0.36 | 0.91 | 1.09 | 0.87 | 0.70 | 1.23 | NA |
SUCROSE (CAS# 57-50-1); (M+CL)- | ME195828 | 1.28 | 1.53 | 1.55 | 0.95 | 0.84 | 0.80 | 1.55 | 1.06 | 0.47 | 1.45 | 1.03 | 0.46 | 0.60 | 0.65 | 0.55 | NA | 0.30 | 0.76 | 0.44 | 0.18 | 1.06 | 0.52 | NA | 0.44 | 1.08 | NA | 1.37 | 0.36 | 0.30 | 0.34 | 1.20 | 0.36 | 1.10 | 0.69 | 0.31 | 1.06 | 4.52 | 1.23 | 0.46 | 0.32 | 2.82 | 0.34 | NA | 0.40 | 0.21 | 0.48 | NA |
ARABITOL (CAS# 7643-75-6); (M+HCOO)- | ME195657 | 8.09 | 3.65 | 1.07 | 0.54 | 1.55 | 0.73 | 0.57 | 1.19 | 1.31 | 0.78 | 0.92 | 0.89 | NA | NA | 0.94 | 0.31 | 0.87 | 2.74 | 0.44 | NA | 0.40 | NA | 1.11 | 0.35 | 0.63 | 0.73 | NA | 0.51 | NA | NA | 0.84 | 0.62 | 1.14 | 1.18 | 0.28 | 0.35 | NA | NA | 0.98 | 0.52 | NA | NA | NA | 0.37 | NA | 0.72 | NA |
16:0-18:0 PC (CAS# 59403-51-9); (M+HCOO)- | ME195606 | 0.62 | 0.81 | 1.21 | 1.34 | 0.55 | 1.56 | 1.77 | 0.78 | 0.85 | 0.81 | 1.12 | 1.30 | 2.55 | 0.91 | 0.62 | 1.01 | 1.55 | 0.82 | 1.23 | 0.68 | 0.95 | 0.71 | 1.98 | 1.18 | 1.12 | 0.44 | 1.21 | 0.77 | 0.48 | 0.58 | 0.89 | 1.28 | 0.65 | 1.23 | 0.92 | 0.97 | 0.56 | 0.91 | 0.86 | 0.82 | 0.53 | 1.24 | 1.23 | 1.11 | 1.89 | 0.47 | NA |
URATE (CAS# 69-93-2); (M-H)- | ME195845 | 1.31 | 1.32 | 0.78 | 1.10 | 0.96 | 1.05 | 1.54 | 1.39 | 1.23 | 0.94 | 1.17 | 1.07 | 0.92 | 0.56 | 0.69 | 0.97 | 1.04 | 0.97 | 1.09 | 0.88 | 0.97 | 0.94 | 1.37 | 1.19 | 1.03 | 1.22 | 0.81 | 1.20 | 0.97 | 1.02 | 1.20 | 1.13 | 0.99 | 1.08 | 0.92 | 1.01 | 0.88 | 0.99 | 1.17 | 0.89 | 0.88 | 0.66 | 0.95 | 1.20 | 0.73 | 0.93 | NA |
CIS-ZEATIN (CAS# 1637-39-4); (M+CL)- | ME195677 | 1.03 | 1.02 | 0.88 | 1.06 | 0.93 | 1.09 | 1.08 | 0.97 | 0.99 | 0.86 | 1.17 | 0.93 | 1.22 | 1.07 | 0.89 | 0.84 | 1.14 | 1.19 | 0.94 | 0.84 | 1.10 | 0.94 | 1.18 | 1.07 | 1.05 | 1.24 | 0.81 | 1.08 | 0.97 | 1.11 | 1.01 | 1.08 | 0.86 | 1.08 | 1.03 | 0.86 | 1.03 | 1.18 | 1.14 | 0.85 | 1.08 | 1.23 | 0.97 | 0.99 | 0.71 | 0.94 | NA |
EPIBRASSINOLIDE [ISTD] (CAS# 78821-43-9); (M+HCOO)- | ME195706 | 1.00 | 1.01 | 1.00 | 1.03 | 0.91 | 1.04 | 0.95 | 0.88 | 0.98 | 0.93 | 1.03 | 0.98 | 1.22 | 1.11 | 1.05 | 0.94 | 1.08 | 1.14 | 1.04 | 0.97 | 1.03 | 0.99 | 1.16 | 1.16 | 0.99 | 1.02 | 0.83 | 1.06 | 1.07 | 1.27 | 1.00 | 0.91 | 0.78 | 0.96 | 1.02 | 0.99 | 1.04 | 1.48 | 1.05 | 0.95 | 1.01 | 1.08 | 0.97 | 1.00 | 0.86 | 0.93 | NA |
MYRISTIC ACID (CAS# 544-63-8); (M-H)- | ME195774 | 0.80 | 0.86 | 0.77 | 0.98 | 1.04 | 1.03 | 1.06 | 0.65 | 1.17 | 1.11 | 0.98 | 1.10 | 0.77 | 0.67 | 0.71 | 0.96 | 1.04 | 1.40 | 1.42 | 0.98 | 1.02 | 0.88 | 0.79 | 0.75 | 0.92 | 0.86 | 0.87 | 1.02 | 0.72 | 0.78 | 0.95 | 1.41 | 0.90 | 1.45 | 0.77 | 0.94 | 0.85 | 1.29 | 1.21 | 1.10 | 0.93 | 0.92 | 1.06 | 0.95 | 1.05 | 1.12 | NA |
SEBACIC ACID (CAS# 111-20-6); (M-H)- | ME195823 | 1.28 | 1.16 | 0.76 | 0.92 | 0.91 | 0.98 | 0.79 | 1.32 | 1.10 | 0.84 | 1.46 | 1.32 | 1.06 | 1.06 | 0.71 | 0.70 | 1.07 | 0.98 | 0.82 | 0.71 | 0.89 | 0.90 | 1.60 | 2.25 | 0.84 | 0.79 | 0.96 | 1.02 | 0.88 | 0.97 | 1.29 | 0.89 | 1.01 | 1.20 | 0.90 | 1.53 | 1.17 | 0.81 | 1.00 | 1.14 | 1.04 | 1.01 | 0.69 | 0.93 | 0.65 | 0.91 | NA |
TRICOSANOIC ACID (CAS# 2433-96-7); (M-H)- | ME195839 | 0.60 | 0.73 | 0.61 | 0.50 | 0.66 | 3.19 | 0.60 | 0.82 | 1.10 | 0.49 | 0.73 | 2.34 | 0.49 | 0.51 | 0.71 | 0.40 | 5.07 | 1.01 | 0.64 | 0.57 | 0.69 | 0.54 | 2.89 | 0.33 | 0.95 | 0.99 | 1.86 | 0.64 | 0.81 | 0.47 | 0.60 | 0.72 | 0.69 | 0.63 | 1.05 | 0.91 | 0.68 | 0.50 | 1.93 | 0.70 | 0.69 | 0.27 | 0.56 | 0.51 | 0.27 | 0.61 | NA |
GAMMA-LINOLENIC ACID (CAS# 506-26-3); (M+HCOO)- | ME195713 | 0.90 | NA | 0.92 | 0.95 | 0.97 | 1.09 | 1.05 | 0.69 | 1.09 | 1.03 | 1.08 | 1.03 | 0.99 | 0.78 | 0.78 | 0.90 | 1.18 | 1.15 | 1.50 | 0.87 | 1.00 | 1.03 | 0.84 | 0.83 | 0.87 | 0.95 | 0.95 | 1.06 | 0.76 | 0.90 | 0.95 | 1.26 | 0.96 | 1.48 | 0.86 | 0.97 | 0.84 | 1.27 | 1.10 | 0.98 | 0.95 | 0.87 | 0.84 | 0.84 | NA | 1.14 | NA |
1-METHYLXANTHINE (CAS# 6136-37-4); (M-H)- | ME195599 | 5.52 | 2.78 | 0.81 | 1.01 | 0.79 | 0.75 | 0.20 | 0.44 | 1.75 | 1.00 | 1.05 | 0.79 | 0.97 | 0.04 | 0.37 | 0.67 | 0.66 | 2.21 | 0.41 | 0.74 | 0.83 | 0.52 | 4.10 | 1.09 | 0.95 | 1.18 | 1.01 | 0.61 | 0.09 | NA | 1.62 | 0.59 | 1.27 | 1.88 | 0.24 | 0.49 | 0.30 | 0.29 | 0.63 | 0.46 | 0.53 | 0.34 | 1.41 | 1.09 | 0.47 | 1.11 | NA |
XANTHINE (CAS# 69-89-6); (M-H)- | ME195851 | 34.12 | 39.41 | 0.11 | 0.43 | 0.23 | 0.18 | 0.16 | 0.17 | 0.38 | 0.36 | 0.32 | 0.24 | 0.36 | 0.11 | 0.12 | 0.17 | 0.22 | 0.20 | 0.22 | 0.13 | 0.15 | 0.24 | 0.26 | 0.07 | 0.30 | 0.38 | 0.23 | 0.18 | 0.09 | 0.06 | 0.30 | 0.44 | 0.18 | 0.29 | 0.16 | 0.25 | 0.18 | 0.78 | 0.26 | 0.17 | 0.21 | 0.29 | 0.18 | 0.29 | 0.13 | 0.12 | NA |
18:0 LYSO-PE (CAS# 69747-55-3); (M-H)- | ME195607 | 0.71 | 0.88 | 1.04 | 1.26 | 0.53 | 1.68 | 2.93 | 1.40 | 1.35 | 0.51 | 1.59 | 1.18 | 2.07 | 0.67 | 0.58 | 0.84 | 1.43 | 0.73 | 1.87 | 0.69 | 0.87 | 0.66 | 0.21 | 0.63 | 1.20 | 0.53 | 1.04 | 1.11 | 0.50 | 0.68 | 0.43 | 1.67 | 0.55 | 1.83 | 0.46 | 0.99 | 0.54 | 1.43 | 0.80 | 0.82 | 0.29 | 1.44 | 1.95 | 0.76 | 2.75 | 0.72 | NA |
GLUCURONIC ACID (CAS# 6556-12-3); (M-H)- | ME195721 | 0.91 | 0.57 | 0.25 | 0.67 | 0.62 | 2.05 | 0.73 | 1.06 | NA | NA | 0.64 | NA | 0.41 | NA | 0.94 | 0.63 | NA | 0.82 | 0.50 | NA | 0.54 | NA | 1.88 | NA | 1.30 | 0.34 | 0.88 | NA | NA | 0.39 | 1.11 | 0.48 | 2.94 | 0.29 | NA | 0.71 | 2.76 | NA | 0.35 | NA | 1.70 | NA | 0.25 | NA | NA | NA | NA |
LIGNOCERIC ACID (CAS# 557-59-5); (M-H)- | ME195760 | 1.22 | 1.13 | 0.91 | 0.84 | 1.06 | 0.68 | 1.18 | 1.07 | 1.12 | 0.69 | 0.81 | 0.60 | 0.69 | 1.28 | 1.08 | 0.91 | 0.81 | 1.27 | 1.46 | 0.81 | 1.12 | 0.87 | 0.57 | 0.65 | 1.40 | 2.86 | 0.96 | 0.93 | 1.58 | 1.74 | 0.75 | 0.93 | 0.99 | 0.89 | 1.14 | 1.11 | 1.12 | 0.99 | 0.87 | 1.00 | 1.30 | 0.53 | 0.58 | 0.74 | 0.35 | 0.83 | NA |
ALLOSE (CAS# 2595-97-3); (M-H)+[-H2O] | ME195653 | 2.65 | 2.42 | 0.65 | 1.22 | 0.57 | 1.07 | NA | 1.29 | 1.40 | 0.86 | 0.85 | 1.22 | 0.97 | 0.47 | 0.59 | 1.85 | 1.22 | 0.61 | 0.89 | 1.17 | 0.55 | 1.28 | 1.89 | 1.91 | 1.22 | NA | 0.85 | 0.84 | 0.71 | 0.39 | 1.49 | 1.05 | 0.68 | 1.81 | 0.62 | 0.80 | 0.46 | 1.78 | 1.18 | 0.53 | 0.61 | 1.79 | 0.18 | 1.19 | 0.56 | 0.94 | NA |
D-PSICOSE (CAS# 551-68-8); (M+CL)- | ME195695 | 1.98 | 1.40 | 0.80 | 1.05 | 1.04 | 1.01 | 0.82 | 0.69 | 1.24 | 0.74 | 1.18 | 0.85 | 0.92 | 0.82 | 0.85 | 0.85 | 0.97 | 1.10 | 0.98 | 0.68 | 1.13 | 0.82 | 1.79 | 1.40 | 1.10 | 1.37 | 1.02 | 1.32 | 0.83 | 1.14 | 0.97 | 1.08 | 1.18 | 1.08 | 0.79 | 0.84 | 0.95 | 1.16 | 1.10 | 0.85 | 0.98 | 1.13 | 0.79 | 0.99 | 0.54 | 0.82 | NA |
PHYTANATE (CAS# 14721-66-5); (M-H)- | ME195808 | 0.72 | 0.69 | 0.69 | 0.90 | 0.48 | 1.52 | 1.23 | 0.44 | 1.10 | 0.79 | 1.29 | 1.61 | 1.37 | 0.38 | 0.48 | 1.41 | 1.63 | 0.77 | 1.91 | 0.77 | 0.75 | 0.38 | 0.84 | 0.61 | 1.10 | 0.57 | 1.20 | 0.55 | 0.37 | 0.65 | 0.66 | 1.49 | 1.89 | 1.64 | 0.82 | 0.88 | 0.59 | 1.36 | 1.64 | 0.89 | 0.69 | 1.01 | 1.52 | 0.84 | 1.63 | 0.81 | NA |
2-HYDROXY-3-METHYLBUTYRIC ACID (CAS# 4026-18-0); (M-H)- | ME195612 | 0.75 | 1.28 | 0.50 | 1.24 | 0.65 | 1.44 | 1.03 | 0.93 | 1.94 | 0.81 | 1.13 | 1.19 | 1.05 | 0.78 | 0.39 | 1.88 | 0.87 | 0.70 | 4.01 | 0.80 | 1.05 | 0.94 | NA | 1.54 | 0.88 | NA | 0.59 | 0.76 | 0.89 | 1.14 | 1.05 | 1.46 | 0.70 | 1.73 | 1.07 | 0.56 | 0.46 | 1.03 | 1.31 | 0.58 | 0.63 | 0.03 | 0.77 | 1.14 | 0.47 | 0.92 | NA |
PHENYLALANINE (CAS# 63-91-2); (M-H)- | ME195806 | 1.23 | 0.97 | 0.56 | 1.11 | 0.73 | 1.07 | 1.97 | 1.17 | 1.32 | 0.88 | 1.06 | 0.94 | 1.88 | 0.41 | 0.50 | 0.74 | 1.25 | 0.92 | 1.29 | 0.77 | 0.70 | 0.98 | 0.97 | 0.47 | 1.12 | 0.75 | 0.82 | 1.17 | 0.73 | 0.64 | 1.38 | 1.77 | 0.65 | 1.52 | 0.86 | 1.12 | 0.64 | 2.46 | 0.94 | 0.74 | 0.82 | 2.16 | 0.53 | 1.16 | 0.65 | 1.00 | NA |
SUCCINATE (CAS# 110-15-6); (M-H)- | ME195827 | 1.79 | 2.07 | 0.59 | 1.22 | 0.75 | 0.78 | 0.91 | 0.57 | 0.96 | 0.72 | 1.20 | 1.16 | 1.23 | NA | 0.69 | 0.61 | 1.23 | 1.05 | 1.51 | 0.63 | 1.02 | 0.86 | 1.03 | 0.90 | 1.05 | 1.53 | 0.77 | 1.10 | 0.64 | 0.78 | 1.18 | 1.68 | 0.90 | 1.17 | 0.88 | 1.03 | 0.92 | 1.68 | 1.44 | 0.75 | 0.89 | 1.84 | 0.69 | 1.01 | 0.56 | NA | NA |
GLUCOSE (CAS# 50-99-7); (2M+CL)-[-H2O] | ME195719 | 1.21 | 1.45 | NA | NA | NA | 0.75 | NA | 1.00 | NA | 2.56 | 0.97 | NA | 0.56 | NA | 0.34 | NA | 0.19 | 0.38 | 0.41 | 0.17 | 0.89 | 0.40 | NA | 0.42 | 1.02 | NA | 0.94 | 0.40 | 0.28 | 0.32 | 1.13 | 0.34 | 1.26 | 0.84 | 0.30 | 1.01 | 9.83 | 1.16 | NA | 0.27 | 2.67 | 0.32 | NA | 0.37 | 0.20 | 0.46 | NA |
XYLOSE (CAS# 58-86-6); (M+HCOO)- | ME195853 | 3.92 | 2.69 | 0.95 | 1.19 | 1.10 | 1.20 | 2.07 | 1.02 | 1.71 | 0.78 | 1.09 | 0.55 | 0.55 | 0.38 | 0.69 | 0.97 | 0.73 | 1.15 | 0.72 | 0.46 | 0.83 | 0.72 | 2.51 | 1.04 | 1.25 | 0.94 | 1.63 | 0.65 | 0.75 | 0.63 | 0.97 | 1.13 | 1.10 | 0.98 | 0.49 | 0.66 | 0.46 | 2.21 | 0.96 | NA | 0.61 | 0.84 | 0.23 | 0.86 | 0.37 | 0.50 | NA |
URIDINE (CAS# 58-96-8); (M-H)- | ME195848 | 0.20 | 0.32 | 1.14 | 0.94 | 0.81 | 0.82 | 0.99 | 0.89 | 1.31 | 1.24 | 1.10 | 1.18 | 1.67 | 0.57 | 0.53 | 1.37 | 0.99 | 0.91 | 0.88 | 0.94 | 0.69 | 0.75 | 0.74 | 0.59 | 1.17 | 1.44 | 0.95 | 0.99 | 0.93 | 0.74 | 1.28 | 1.36 | 0.74 | 1.13 | 0.89 | 1.02 | 0.66 | 4.38 | 1.16 | 0.88 | 0.85 | 1.55 | 0.68 | 1.44 | 0.82 | 0.69 | NA |
N-ACETYL-D-MANNOSAMINE (CAS# 3615-17-6); (M+CL)- | ME195777 | 0.92 | 1.71 | 0.80 | NA | 1.16 | 0.77 | NA | NA | 0.91 | 0.81 | 1.03 | 0.93 | 1.25 | 0.91 | 0.70 | 0.76 | 0.95 | 0.69 | NA | 0.92 | 1.10 | 0.76 | NA | NA | NA | 1.21 | 0.82 | NA | 0.88 | 0.98 | 0.94 | NA | 1.34 | 1.31 | 0.69 | NA | 1.22 | 1.62 | 1.00 | 0.83 | 1.45 | 1.03 | NA | 1.27 | NA | 1.08 | NA |
CATECHOL (CAS# 120-80-9); (M-H)- | ME195671 | 1.58 | 0.75 | 0.71 | 1.14 | 0.76 | 1.02 | 1.24 | 0.60 | 1.08 | 1.37 | 0.45 | 1.28 | NA | 0.47 | 0.79 | 1.01 | 0.86 | 1.14 | 1.86 | 0.70 | 0.49 | 0.38 | 1.16 | NA | 1.08 | 3.57 | 0.89 | 0.43 | 0.43 | 0.60 | 1.83 | 0.41 | 4.40 | 1.45 | 0.48 | 0.58 | 0.91 | 0.95 | 1.32 | 0.45 | 0.65 | 0.68 | 1.32 | 0.72 | NA | 1.18 | NA |
ELAIDIC ACID (CAS# 112-79-8); (M-H)- | ME195704 | 1.02 | 0.86 | 0.87 | 0.93 | 1.00 | 1.01 | 1.04 | 0.72 | 1.15 | 1.01 | 1.09 | 0.98 | 0.84 | 0.74 | 0.76 | 0.83 | 1.19 | 1.29 | 1.41 | 0.88 | 0.98 | 0.93 | 0.89 | 0.83 | 0.90 | 1.02 | 0.93 | 1.01 | 0.77 | 0.96 | 0.99 | 1.27 | 0.93 | 1.47 | 0.83 | 0.96 | 0.80 | 1.44 | 1.20 | 1.04 | 0.96 | 0.93 | 0.88 | 0.89 | 1.00 | 1.17 | NA |
TRYPTOPHAN (CAS# 73-22-3); (M-H)- | ME195842 | 1.19 | 1.23 | 0.70 | 1.01 | 0.69 | 0.93 | 0.99 | 0.80 | 1.21 | 1.07 | 0.94 | 1.05 | 1.39 | 0.84 | 0.80 | 1.22 | 1.04 | 0.95 | 0.80 | 0.97 | 0.81 | 0.80 | 0.78 | 0.54 | 1.29 | 1.10 | 0.70 | 1.13 | 1.22 | 0.88 | 1.10 | 1.49 | 0.59 | 1.03 | 1.04 | 0.92 | 0.82 | 2.03 | 1.38 | 0.92 | 0.92 | 2.36 | 1.21 | 1.39 | 0.84 | 0.97 | NA |
2-METHYLMALEATE (CAS# 498-23-7); (M-H)- | ME195615 | 0.75 | 0.97 | 0.73 | 1.34 | 0.95 | 1.11 | NA | NA | 0.77 | 0.84 | 0.33 | 1.01 | NA | NA | 2.29 | 2.07 | 0.46 | 0.82 | 1.63 | NA | 0.51 | 0.65 | 0.54 | NA | 0.81 | NA | 0.62 | 0.70 | NA | 0.40 | 1.65 | 0.84 | 1.00 | 0.91 | 3.24 | 0.59 | 0.65 | 0.61 | 2.14 | NA | 1.36 | 0.52 | NA | 0.65 | NA | 0.59 | NA |
LINOLEATE (CAS# 60-33-3); (M-H)- | ME195761 | 1.01 | 0.90 | 0.86 | 0.93 | 1.01 | 0.96 | 1.14 | 0.80 | 1.03 | 1.00 | 1.00 | 0.89 | 0.75 | 0.85 | 0.88 | 0.76 | 1.08 | 1.37 | 1.12 | 1.01 | 1.06 | 0.95 | 0.86 | 0.93 | 0.98 | 1.05 | 0.95 | 1.09 | 0.86 | 1.07 | 0.93 | 1.23 | 0.92 | 1.22 | 0.90 | 0.98 | 0.88 | 1.23 | 1.25 | 1.06 | 1.01 | 0.92 | 0.90 | 0.96 | 0.90 | 1.14 | NA |
BETA-MALTOSE (CAS# 69-79-4); (M+CL)- | ME195666 | 1.30 | 1.55 | 1.56 | 0.89 | 0.85 | 0.80 | 1.57 | 1.07 | 0.47 | 1.46 | 1.04 | 0.47 | 0.60 | 0.66 | 0.54 | NA | 0.30 | 0.77 | 0.44 | 0.18 | 1.07 | 0.52 | 0.58 | 0.45 | 1.09 | NA | 1.37 | 0.36 | 0.30 | 0.34 | 1.21 | 0.36 | 1.12 | 0.70 | 0.32 | 1.08 | 4.56 | 1.24 | 0.46 | 0.33 | 2.85 | 0.34 | NA | 0.40 | 0.21 | 0.49 | NA |
STEARATE (CAS# 57-11-4); (M-H)- | ME195825 | 1.16 | 1.03 | 0.85 | 0.94 | 0.79 | 1.07 | 1.36 | 0.72 | 1.08 | 0.92 | 1.07 | 0.97 | 0.97 | 0.72 | 0.81 | 0.85 | 1.25 | 1.21 | 1.11 | 0.82 | 1.05 | 0.86 | 0.84 | 0.86 | 0.99 | 0.97 | 0.98 | 1.15 | 0.98 | 1.03 | 0.91 | 1.39 | 0.99 | 1.30 | 0.82 | 0.94 | 0.87 | 1.20 | 1.20 | 1.01 | 1.00 | 0.87 | 0.98 | 0.87 | 1.16 | 1.14 | NA |
4-METHYL-2-OXOVALERIC ACID (CAS# 816-66-0); (M-H)- | ME195637 | 1.62 | 1.24 | 0.89 | 1.08 | 0.81 | 1.26 | 1.06 | 0.58 | 1.23 | 0.77 | 0.93 | 0.95 | 1.29 | 0.59 | 0.68 | 1.12 | 1.21 | 0.96 | 1.77 | 0.97 | 0.85 | 0.88 | 0.99 | 1.09 | 1.15 | 1.30 | 0.71 | 1.31 | 0.76 | 0.86 | 0.95 | 1.45 | 0.70 | 1.29 | 1.04 | 0.81 | 0.73 | 1.63 | 1.00 | 0.78 | 0.90 | 1.66 | 1.09 | 1.23 | 0.54 | 0.94 | NA |
L-[15N]ANTHRANILIC ACID [ISTD] (CAS# ); (M-H)- | ME195755 | 1.11 | 0.94 | 0.74 | 0.87 | 0.97 | 0.96 | 0.82 | 0.66 | 1.07 | 1.00 | 1.25 | 1.10 | 1.89 | 1.07 | 0.94 | 0.76 | 1.10 | 1.34 | 1.19 | 0.77 | 1.46 | 0.99 | 0.88 | 0.79 | 0.89 | 1.28 | 0.69 | 0.99 | 0.99 | 1.40 | 0.88 | 1.19 | 1.01 | 1.16 | 1.08 | 0.84 | 1.04 | 0.94 | 1.35 | 0.99 | 0.88 | 1.03 | 0.94 | 0.90 | 0.65 | 0.97 | NA |
N-ACETYL-D-GLUCOSAMINE (CAS# 7512-17-6); (M+CL)- | ME195776 | 0.92 | 1.71 | 0.80 | NA | 1.16 | 0.77 | NA | NA | 0.91 | 0.81 | 1.03 | 0.93 | 1.20 | 0.91 | 0.70 | 0.76 | 0.96 | 0.69 | NA | 0.92 | 1.10 | 0.76 | NA | NA | NA | 1.21 | 0.82 | NA | 0.88 | 0.99 | 0.94 | NA | 1.34 | 1.31 | 0.69 | NA | 1.22 | 1.62 | 1.00 | 0.83 | 1.45 | 1.03 | NA | 1.28 | NA | 1.09 | NA |
HYPOXANTHINE (CAS# 68-94-0); (M-H)- | ME195734 | 0.70 | 1.42 | NA | NA | 2.55 | 0.91 | 0.80 | 0.90 | 2.68 | 0.38 | 1.14 | 0.08 | 2.52 | NA | NA | 1.15 | 0.49 | NA | NA | 0.93 | 0.86 | 0.32 | 0.48 | NA | 0.58 | 0.91 | 0.41 | 0.30 | NA | NA | NA | 2.75 | NA | 0.59 | NA | NA | 0.60 | NA | 1.53 | NA | 0.35 | NA | NA | 0.98 | NA | 1.27 | NA |
L-GULONATE (CAS# 6322-07-2); (M-H)- | ME195749 | 3.81 | 2.68 | 1.03 | 1.27 | 0.98 | 1.29 | 0.84 | 1.11 | 1.39 | 0.84 | 1.17 | 0.48 | 0.59 | 0.41 | 0.72 | 1.04 | 0.68 | 1.26 | 0.78 | 0.64 | 0.82 | 0.52 | 2.70 | 1.12 | 1.30 | 1.01 | 1.77 | 0.85 | 0.81 | 0.68 | 0.88 | 1.06 | 1.18 | 0.95 | 0.53 | 0.71 | 0.55 | 2.37 | 1.15 | 0.52 | 0.65 | 0.90 | 0.25 | 0.93 | 0.50 | 0.54 | NA |
1-OLEOYL-RAC-GLYCEROL (CAS# 111-03-5); (M+HCOO)- | ME195600 | NA | NA | 0.44 | 0.85 | 0.39 | 1.15 | 2.48 | 0.37 | 1.45 | 0.61 | 1.27 | NA | 2.76 | 0.79 | NA | NA | 1.24 | NA | NA | NA | 0.63 | NA | 1.21 | NA | 0.47 | NA | 0.61 | 0.78 | NA | NA | 1.51 | 1.38 | 0.62 | 1.58 | NA | 1.65 | 1.10 | NA | 0.24 | 1.13 | NA | NA | 0.89 | 0.68 | 1.54 | 0.26 | NA |
ALPHA-LINOLENIC ACID (CAS# 463-40-1); (M+HCOO)- | ME195656 | 0.90 | NA | 0.92 | 0.95 | 0.97 | 1.09 | 1.05 | 0.69 | 1.09 | 1.03 | 1.08 | 1.03 | 0.98 | 0.78 | 0.78 | 0.90 | 1.19 | 1.15 | 1.49 | 0.87 | 1.00 | 1.03 | 0.84 | 0.83 | 0.87 | 0.95 | 0.95 | 1.06 | 0.76 | 0.90 | 0.96 | 1.26 | 0.96 | 1.48 | 0.86 | 0.97 | 0.84 | 1.27 | 1.10 | 0.98 | 0.95 | 0.87 | 0.84 | 0.84 | NA | 1.13 | NA |
THYROXINE (CAS# 51-48-9); (M-H)- | ME195833 | 1.54 | 1.57 | 0.84 | 1.05 | 0.70 | 1.15 | 1.06 | 1.04 | 1.16 | 0.96 | 0.89 | 1.10 | 1.01 | 0.94 | 0.69 | 0.64 | 1.00 | 1.09 | 0.58 | 1.37 | 0.85 | 1.20 | 0.86 | 0.94 | 0.92 | 1.08 | 0.80 | 0.99 | 0.84 | 0.71 | 1.05 | 1.60 | 0.99 | 1.28 | 0.90 | 0.85 | 0.62 | 1.42 | 0.99 | 0.92 | 0.89 | 1.03 | 1.34 | 1.19 | 1.06 | 1.23 | 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:- |