Clustering data with hclust algorithm for (Study ST000692)
(Analysis AN001069)| 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 |
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| 4-HYDROXYBENZOATE (CAS# 99-96-7); (M-H)- | ME192973 | 1.25 | 1.56 | 0.83 | 0.58 | 1.11 | 1.33 | NA | NA | NA | NA | NA | 0.46 | NA | NA | 0.54 | NA | NA | NA | NA | NA | 0.84 | 1.51 | 0.84 | 0.82 | 0.85 | 1.01 | NA | NA | NA | 0.81 | 0.69 | 0.50 | NA |
| D-LYXOSE (CAS# 1114-34-7); (M-H)- | ME193068 | NA | 1.10 | 0.10 | 0.06 | 0.05 | 0.05 | NA | 0.02 | 0.03 | NA | 0.05 | NA | 0.04 | 5.14 | NA | 4.52 | NA | NA | NA | NA | NA | 1.30 | NA | NA | NA | 1.24 | 0.03 | 0.05 | 0.05 | 6.66 | NA | NA | 0.06 |
| 3-METHYLADIPIC ACID (CAS# 3058-01-3); (M-H)- | ME192962 | 1.10 | 1.11 | 0.93 | 0.38 | 1.16 | 0.77 | 1.07 | 0.94 | 1.44 | 1.28 | 1.14 | 0.96 | 1.10 | 1.34 | 0.60 | 0.85 | NA | NA | NA | NA | 0.83 | 1.04 | 1.31 | 0.69 | 0.54 | 0.80 | 1.09 | NA | 1.52 | 0.63 | 1.19 | 0.88 | 1.01 |
| DECANOATE (CAS# 334-48-5); (M-H)- | ME193074 | 0.69 | 0.80 | 1.44 | NA | NA | 1.03 | 0.94 | NA | NA | NA | 0.91 | 1.86 | 1.14 | 1.39 | 1.20 | 1.16 | NA | NA | NA | NA | 0.86 | 0.76 | NA | 1.68 | 0.97 | 0.74 | 0.51 | 0.56 | NA | 0.98 | 1.50 | 0.88 | 0.73 |
| GLUCOSE (CAS# 50-99-7); (M+CL)- | ME193125 | 2.32 | 2.48 | NA | 2.39 | 0.25 | 1.25 | 0.19 | 0.21 | 0.26 | NA | 0.19 | 0.05 | 0.24 | 0.16 | 1.61 | 0.14 | NA | NA | NA | NA | 2.09 | 1.47 | NA | 1.98 | 1.50 | 1.92 | 0.18 | 0.24 | NA | 0.21 | 0.18 | NA | 0.16 |
| GLUTARATE (CAS# 110-94-1); (M-H)- | ME193131 | 0.34 | 0.30 | 0.50 | 0.26 | 4.79 | 0.20 | 0.10 | 0.11 | 0.36 | 5.48 | 0.65 | 0.33 | 0.36 | 0.15 | 0.31 | 0.23 | NA | NA | NA | NA | NA | 0.46 | 0.53 | NA | 3.17 | 0.37 | 0.32 | 0.72 | 0.18 | 7.65 | 0.54 | 0.83 | 0.55 |
| GLUCOSE 1-PHOSPHATE (CAS# 59-56-3); (M-H)- | ME193126 | 0.00 | 0.00 | 0.52 | 1.53 | 0.16 | 0.34 | 2.30 | NA | 1.96 | 0.01 | 1.65 | NA | 1.87 | 1.36 | NA | 1.11 | NA | NA | NA | NA | NA | NA | NA | NA | 0.00 | NA | 1.02 | 1.55 | NA | NA | 0.88 | NA | 1.00 |
| DOCOSAHEXAENOIC ACID (CAS# 6217-54-5 ); (M-H)- | ME193093 | 0.51 | 0.46 | 0.38 | NA | 0.66 | 1.28 | NA | 1.41 | 5.64 | 2.13 | 1.84 | 1.16 | 1.39 | 0.26 | NA | 0.26 | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | 0.17 | 0.25 | 0.30 | 0.31 | 0.27 | 0.32 |
| DEOXYURIDINE (CAS# 951-78-0); (M-H)- | ME193086 | 1.67 | 0.74 | 1.14 | 0.30 | NA | 1.08 | 0.85 | 0.45 | 0.34 | 0.95 | 0.64 | 1.29 | 1.13 | 0.88 | NA | NA | NA | NA | NA | NA | 1.69 | NA | 1.85 | 1.21 | NA | 0.97 | NA | 0.68 | 0.24 | NA | 0.59 | NA | NA |
| DEOXYCHOLIC ACID (CAS# 83-44-3); (M-H)- | ME193081 | 1.57 | 0.99 | 1.27 | 0.49 | NA | 1.09 | 0.85 | 0.86 | 1.39 | 0.76 | 0.90 | 1.08 | 0.90 | 0.67 | 1.27 | 0.66 | NA | NA | NA | NA | 1.19 | 1.31 | 1.20 | 1.22 | 1.33 | 1.19 | 0.76 | 0.65 | 0.77 | 0.66 | 0.77 | 0.59 | 0.80 |
| ACETOACETATE (CAS# 541-50-4); (M-H)- | ME192992 | 0.69 | 2.43 | 0.64 | NA | NA | 1.48 | 0.67 | NA | 0.90 | NA | 0.12 | 0.79 | 0.88 | 2.09 | 0.15 | 1.73 | NA | NA | NA | NA | NA | 0.73 | NA | NA | NA | 0.45 | 0.29 | 1.57 | 1.05 | 0.73 | 1.41 | NA | 1.37 |
| 5-AMINOPENTANOATE (CAS# 660-88-8); (M-H)- | ME192984 | 1.36 | 2.24 | 1.29 | 0.67 | 1.43 | 1.19 | 0.40 | 0.38 | 0.41 | NA | 0.66 | NA | 0.70 | NA | 0.39 | 0.57 | NA | NA | NA | NA | 0.98 | 2.18 | 1.05 | 1.50 | 0.56 | 1.17 | 0.35 | 0.10 | 0.66 | 0.69 | 0.90 | NA | 0.90 |
| 6-CARBOXYHEXANOATE (CAS# 111-16-0); (M-H)- | ME192989 | 1.07 | 1.09 | 0.78 | 0.37 | 1.14 | 0.75 | 1.05 | 0.92 | 1.40 | 1.25 | 1.11 | 0.93 | 1.07 | 1.31 | 0.58 | 0.83 | NA | NA | NA | NA | 0.81 | 1.01 | 1.28 | 0.67 | 0.53 | 0.78 | 1.07 | NA | 1.48 | 0.72 | 1.16 | 0.86 | 1.45 |
| 5-OXOPROLINE (CAS# 4042-36-8); (M-H)- | ME192988 | 1.42 | 1.53 | 0.68 | 1.32 | 0.07 | 1.31 | 0.88 | 0.87 | 0.93 | NA | 0.78 | NA | 1.02 | 0.75 | 0.91 | 0.75 | NA | NA | NA | NA | 1.08 | 1.16 | 0.78 | 1.18 | NA | 1.18 | 0.74 | 0.69 | 0.83 | NA | 0.92 | NA | 0.91 |
| ALLOSE (CAS# 2595-97-3); (M-H)+[-H2O] | ME193005 | 1.50 | 0.91 | 0.76 | 0.79 | 1.76 | 1.22 | 0.95 | 1.11 | 1.05 | 0.17 | 1.28 | 1.04 | 1.27 | 1.10 | 1.40 | 1.00 | NA | NA | NA | NA | 0.82 | 0.89 | 0.77 | 0.60 | 1.30 | 0.81 | 1.12 | 0.90 | 0.90 | 0.78 | 0.48 | NA | 1.00 |
| GAMMA-LINOLENIC ACID (CAS# 506-26-3); (M+HCOO)- | ME193113 | 0.54 | 0.57 | 0.96 | 0.68 | 1.90 | 0.76 | 0.70 | 0.70 | 1.98 | 1.45 | 2.44 | 1.30 | 0.98 | 1.04 | 1.15 | 0.97 | NA | NA | NA | NA | 1.17 | 0.90 | 0.99 | 0.96 | 0.75 | 0.67 | 0.77 | 0.69 | 0.72 | 0.88 | 1.01 | 0.75 | 0.75 |
| ARACHIDONATE (CAS# 506-32-1); (M-H)- | ME193012 | 1.67 | 1.59 | 2.54 | 0.14 | 3.96 | 1.32 | 0.00 | 1.86 | 5.43 | 1.04 | 0.63 | 0.81 | 1.83 | 0.31 | 0.59 | 0.33 | NA | NA | NA | NA | 0.45 | 0.56 | 1.02 | 0.59 | 1.03 | 0.44 | 0.00 | 0.16 | 0.31 | 0.20 | 0.11 | 0.24 | 0.22 |
| EPIBRASSINOLIDE [ISTD] (CAS# 78821-43-9); (M+CL)- | ME193098 | 0.97 | 0.93 | 1.30 | 0.13 | 1.94 | 0.98 | 1.03 | 0.88 | 1.02 | 1.07 | 1.09 | 1.17 | 1.08 | 1.07 | 1.10 | 0.88 | NA | NA | NA | NA | 1.03 | 1.03 | 1.22 | 1.12 | 1.17 | 0.83 | 0.82 | 0.88 | 0.80 | 0.92 | 0.93 | 0.85 | 0.96 |
| ALPHA-LINOLENIC ACID (CAS# 463-40-1); (M+HCOO)- | ME193008 | 0.54 | 0.57 | 0.96 | 0.68 | 1.90 | 0.76 | 0.70 | 0.70 | 1.98 | 1.45 | 2.44 | 1.30 | 0.98 | 1.04 | 1.15 | 0.97 | NA | NA | NA | NA | 1.16 | 0.90 | 0.99 | 0.96 | 0.75 | 0.67 | 0.77 | 0.69 | 0.72 | 0.88 | 1.02 | 0.75 | 0.75 |
| CIS-ACONITATE (CAS# 585-84-2); (M-H)- | ME193039 | 0.60 | NA | 0.45 | 0.40 | NA | 0.69 | 1.54 | 1.28 | 1.73 | 0.76 | 0.50 | 0.38 | 0.44 | 0.95 | NA | 0.63 | NA | NA | NA | NA | NA | 0.60 | 0.46 | NA | NA | 0.52 | 2.95 | NA | 4.36 | 0.93 | 0.96 | NA | 1.00 |
| GAMMA-BUTYROLACTONE (CAS# 96-48-0); (M+HCOO)- | ME193111 | 0.29 | 0.25 | NA | 0.22 | 4.06 | NA | 0.08 | NA | 0.30 | 4.64 | 0.55 | 0.28 | 0.17 | 0.13 | NA | 0.20 | NA | NA | NA | NA | NA | 0.41 | 0.45 | NA | 2.68 | 0.31 | 0.27 | 0.61 | 0.15 | 6.48 | 0.29 | NA | 0.47 |
| 5^-DEOXYADENOSINE (CAS# 4754-39-6); (M+HCOO)- | ME192981 | 0.75 | 1.23 | 0.23 | 0.10 | 1.17 | 0.99 | 3.08 | NA | 0.81 | NA | 1.11 | 0.88 | 0.95 | NA | 0.07 | NA | NA | NA | NA | NA | 0.61 | 0.70 | 0.66 | NA | NA | 0.62 | 1.09 | NA | 1.12 | 1.39 | 1.66 | 1.35 | 1.41 |
| BETA-MALTOSE (CAS# 69-79-4); (M+CL)- | ME193021 | 0.63 | 0.21 | 1.07 | 0.27 | 0.38 | NA | NA | NA | NA | NA | 2.22 | NA | 2.05 | NA | 2.12 | 1.34 | NA | NA | NA | NA | NA | 0.13 | 0.95 | NA | 0.38 | 0.64 | NA | 1.41 | 1.13 | 1.53 | 1.10 | NA | 1.07 |
| CIS-VACCENIC ACID (CAS# 506-17-2); (M-H)- | ME193040 | 3.69 | 1.54 | 1.02 | 0.06 | 3.25 | 2.14 | 0.08 | 0.18 | 2.38 | 0.18 | 0.68 | 0.13 | 1.34 | 0.37 | 1.55 | 0.36 | NA | NA | NA | NA | 1.81 | 1.36 | 0.20 | 0.09 | 0.91 | 1.20 | 0.08 | 0.09 | 0.24 | 0.03 | 0.10 | 0.03 | 0.03 |
| ASPARTATE (CAS# 56-84-8); (M-H)- | ME193014 | 1.60 | 1.39 | 2.30 | 7.97 | 0.40 | 1.23 | 0.24 | 0.62 | 0.50 | NA | 0.38 | 0.16 | 0.27 | NA | 0.64 | NA | NA | NA | NA | NA | 0.73 | 0.51 | NA | 1.15 | 0.27 | NA | NA | 0.24 | 0.25 | NA | NA | 0.12 | 0.19 |
| ELAIDIC ACID (CAS# 112-79-8); (M-H)- | ME193097 | 3.69 | 1.54 | 1.02 | 0.06 | 3.25 | 2.14 | 0.08 | 0.18 | 2.38 | 0.18 | 0.68 | 0.13 | 1.34 | 0.37 | 1.55 | 0.36 | NA | NA | NA | NA | 1.81 | 1.36 | 0.20 | 0.09 | 0.91 | 1.20 | 0.08 | 0.09 | 0.24 | 0.03 | 0.10 | 0.03 | 0.03 |
| GIBBERELLIC ACID [ISTD] (CAS# 77-06-5); (2M-H)- | ME193116 | 3.00 | 2.10 | 3.51 | NA | 3.21 | 1.48 | 0.21 | 0.16 | 0.21 | 0.19 | 0.17 | 0.22 | 0.21 | NA | NA | NA | NA | NA | NA | NA | NA | 1.22 | NA | NA | NA | NA | NA | NA | NA | 0.28 | 0.15 | 0.27 | 0.15 |
| ADENOSINE (CAS# 58-61-7); (M+HCOO)- | ME192996 | 1.41 | 0.35 | 0.98 | 2.77 | 0.73 | 1.06 | 1.17 | 3.40 | 0.34 | 0.12 | 0.43 | 0.59 | 0.95 | NA | 4.74 | NA | NA | NA | NA | NA | 0.12 | NA | NA | 0.26 | NA | NA | 0.04 | NA | NA | NA | NA | 0.21 | NA |
| CITRAMALATE (CAS# 2306-22-1); (M-H)- | ME193043 | 0.56 | 2.05 | 0.20 | 1.09 | 0.30 | 1.21 | 0.17 | NA | 0.22 | 0.55 | 1.21 | 0.53 | 1.41 | 0.25 | 0.13 | 0.29 | NA | NA | NA | NA | 0.41 | 1.25 | 0.24 | NA | NA | 0.60 | 0.19 | NA | 0.21 | 0.23 | 3.09 | 0.04 | 3.50 |
| 4-METHYL-2-OXOVALERIC ACID (CAS# 816-66-0); (M-H)- | ME192976 | 0.76 | NA | 0.16 | 0.24 | NA | 0.47 | 0.88 | 2.19 | 2.88 | NA | 0.22 | 0.46 | 0.44 | 0.13 | NA | 0.11 | NA | NA | NA | NA | NA | NA | 0.56 | 0.77 | NA | 1.20 | NA | NA | 7.29 | NA | 0.37 | NA | NA |
| CIS-ZEATIN (CAS# 1637-39-4); (M-H)- | ME193042 | 0.67 | 0.60 | 0.78 | 0.67 | 0.68 | 0.67 | 3.46 | 3.07 | 3.47 | 1.35 | 2.64 | 1.40 | 1.67 | 0.90 | 0.23 | 0.93 | NA | NA | NA | NA | 0.25 | 0.31 | 0.25 | 0.24 | 0.29 | 0.28 | 0.76 | 0.96 | 0.86 | 0.78 | 0.68 | 0.66 | 0.87 |
| ETHYLMALONIC ACID (CAS# 601-75-2); (M-H)- | ME193101 | 1.12 | 1.03 | 1.22 | 0.35 | 1.57 | 1.13 | 0.82 | 0.93 | 0.85 | 0.89 | 1.48 | 0.16 | 1.41 | 0.95 | NA | 0.45 | NA | NA | NA | NA | 1.09 | 0.41 | 1.40 | NA | 0.56 | NA | 1.31 | 0.13 | 1.07 | 1.35 | 1.75 | NA | NA |
| AZELAIC ACID (CAS# 123-99-9); (M-H)- | ME193015 | 2.13 | 1.64 | 1.52 | 0.69 | 1.80 | 1.41 | 0.62 | 0.67 | 0.81 | 0.74 | 0.81 | 0.60 | 0.73 | 0.83 | 0.55 | 0.45 | NA | NA | NA | NA | 0.97 | 1.95 | 1.37 | 0.89 | 1.11 | 1.08 | 0.52 | 0.43 | 0.56 | 0.41 | 0.54 | 0.59 | 0.67 |
| CIS-ZEATIN (CAS# 1637-39-4); (M+CL)- | ME193041 | 0.37 | 0.27 | 0.46 | 1.05 | 0.41 | 0.38 | 3.26 | 3.02 | 3.23 | 1.68 | 2.85 | 1.88 | 2.29 | 0.93 | 0.09 | 1.13 | NA | NA | NA | NA | 0.11 | NA | 0.08 | NA | 0.11 | 0.12 | 0.73 | 0.98 | 0.84 | 0.56 | 0.48 | 0.45 | 0.70 |
| GIBBERELLIC ACID [ISTD] (CAS# 77-06-5); (M-H)- | ME193118 | 1.14 | 1.28 | 1.27 | 0.25 | 1.12 | 1.21 | 1.36 | 1.22 | 1.35 | 1.28 | 1.28 | 1.29 | 1.27 | 1.25 | 0.35 | 1.07 | NA | NA | NA | NA | 0.44 | 0.68 | 0.42 | 0.45 | 0.48 | 0.47 | 1.14 | 1.22 | 1.13 | 1.22 | 1.07 | 1.19 | 1.14 |
| EPIBRASSINOLIDE [ISTD] (CAS# 78821-43-9); (M+HCOO)- | ME193099 | 1.05 | 1.00 | 1.21 | 0.17 | 1.54 | 1.00 | 1.13 | 0.96 | 1.12 | 1.12 | 1.09 | 1.10 | 1.06 | 1.02 | 1.02 | 0.86 | NA | NA | NA | NA | 0.95 | 0.98 | 1.10 | 1.05 | 1.15 | 0.90 | 0.88 | 0.94 | 0.87 | 0.97 | 0.93 | 0.93 | 0.97 |
| GUANINE (CAS# 73-40-5); (M-H)- | ME193140 | 1.78 | 1.89 | NA | 0.44 | NA | 1.33 | 0.99 | 0.70 | 0.77 | NA | 1.06 | NA | 0.81 | NA | 0.56 | NA | NA | NA | NA | NA | 0.85 | 1.63 | 0.37 | 0.63 | NA | 1.39 | 0.51 | 0.46 | 0.66 | NA | 0.40 | NA | 0.63 |
| D-PSICOSE (CAS# 551-68-8); (M+CL)- | ME193071 | 2.47 | 2.46 | NA | 2.37 | 0.25 | 1.24 | 0.19 | 0.20 | 0.26 | NA | 0.19 | 0.05 | 0.24 | 0.15 | 1.59 | 0.14 | NA | NA | NA | NA | 2.07 | 1.46 | NA | 1.97 | 1.48 | 1.91 | 0.18 | 0.23 | NA | 0.21 | 0.17 | NA | 0.16 |
| 16:0 LYSO PC (CAS# 17364-16-8); (M+HCOO)- | ME192932 | 2.15 | 0.71 | 4.23 | 0.51 | 4.98 | 2.22 | 0.03 | 0.10 | NA | 2.74 | 3.06 | 2.08 | 2.81 | 0.06 | 0.30 | 0.11 | NA | NA | NA | NA | 0.05 | 0.05 | 0.04 | 0.10 | 0.01 | 0.08 | 0.11 | 0.02 | 0.03 | 0.03 | 0.06 | 0.02 | 0.06 |
| GIBBERELLIC ACID [ISTD] (CAS# 77-06-5); (M+CL)- | ME193117 | 2.45 | 2.01 | 2.97 | NA | 2.90 | 0.84 | 0.53 | 0.44 | 0.49 | 0.42 | 0.45 | 0.50 | 0.47 | 0.65 | 0.32 | 0.45 | NA | NA | NA | NA | 0.85 | 2.21 | NA | NA | NA | NA | 0.44 | 0.54 | 0.48 | 0.51 | 0.51 | 0.51 | 0.47 |
| 4-NITROBENZOIC ACID (CAS# 62-23-7); (M-H)- | ME192977 | 1.09 | 1.38 | 1.59 | 0.28 | 1.55 | 1.61 | 0.73 | 0.60 | 0.86 | 0.11 | 0.53 | 0.85 | 1.32 | 2.05 | NA | 0.34 | NA | NA | NA | NA | 0.04 | 0.10 | NA | 0.04 | NA | 3.05 | 3.23 | 1.17 | 1.34 | 0.45 | 0.44 | 1.93 | 0.42 |
| FRUCTOSE (CAS# 57-48-7); (M+CL)- | ME193105 | 2.32 | 2.48 | NA | 2.39 | 0.25 | 1.25 | 0.19 | 0.21 | 0.26 | NA | 0.19 | 0.05 | 0.24 | 0.16 | 1.60 | 0.14 | NA | NA | NA | NA | 2.09 | 1.48 | NA | 1.98 | 1.50 | 1.92 | 0.18 | 0.24 | NA | 0.21 | 0.18 | NA | 0.16 |
| D-ORNITHINE (CAS# 348-66-3); (M-H)- | ME193070 | 0.38 | 0.43 | 1.95 | 0.49 | 2.77 | 0.43 | 0.39 | 0.39 | 0.78 | 0.32 | NA | 0.71 | 0.09 | NA | NA | NA | NA | NA | NA | NA | 1.13 | 0.61 | 3.92 | NA | 4.98 | 1.37 | 0.31 | 0.24 | 0.83 | 0.53 | NA | 0.64 | 0.11 |
| D-TAGATOSE (CAS# 87-81-0); (M+CL)- | ME193072 | 2.32 | 2.48 | NA | 2.39 | 0.25 | 1.25 | 0.19 | 0.21 | 0.26 | NA | 0.19 | 0.05 | 0.24 | 0.16 | 1.61 | 0.14 | NA | NA | NA | NA | 2.09 | 1.48 | NA | 1.98 | 1.50 | 1.92 | 0.18 | 0.24 | NA | 0.21 | 0.18 | NA | 0.16 |
| CITRATE (CAS# 77-92-9); (M-H)- | ME193044 | 1.11 | 1.09 | 0.83 | 0.39 | NA | 1.04 | 0.90 | 0.64 | 0.78 | NA | 0.83 | NA | 0.89 | 1.09 | 1.31 | 1.09 | NA | NA | NA | NA | 1.31 | 1.36 | 1.14 | 1.34 | NA | 1.44 | 1.11 | 1.05 | 0.96 | 0.04 | 1.03 | 0.02 | 1.05 |
| 4-METHYL-2-OXOPENTANOATE (CAS# 816-66-0); (M-H)- | ME192975 | 0.77 | NA | 0.17 | 0.24 | NA | 0.47 | 0.86 | 2.22 | 2.92 | NA | 0.22 | 0.47 | 0.45 | 0.13 | NA | 0.11 | NA | NA | NA | NA | NA | NA | 0.56 | 0.78 | NA | 1.22 | NA | NA | 7.41 | NA | 0.38 | NA | 0.70 |
| D-GLUCOSE 6-PHOSPHATE (CAS# 56-73-5); (M-H)- | ME193065 | 0.00 | 0.00 | 0.50 | 0.39 | 0.15 | 0.33 | 2.19 | NA | 1.87 | 2.18 | 1.56 | NA | 1.77 | 1.30 | NA | 1.06 | NA | NA | NA | NA | NA | NA | NA | NA | 0.00 | NA | 0.98 | 1.47 | NA | NA | 0.83 | NA | 0.94 |
| FUMARATE (CAS# 110-17-8); (M-H)- | ME193107 | 0.26 | 0.27 | 0.19 | NA | NA | 0.35 | 0.09 | 0.04 | 0.68 | 0.44 | 0.32 | NA | 0.25 | 1.84 | NA | 1.79 | NA | NA | NA | NA | 0.41 | 6.14 | 0.42 | NA | 4.68 | 0.64 | 0.11 | NA | 0.67 | 0.73 | 0.51 | NA | 0.64 |
| CYCLOHEPTANECARBOXYLIC ACID (CAS# 1460-16-8); (M+HCOO)- | ME193053 | 2.13 | 1.64 | 1.55 | 0.69 | 1.80 | 1.41 | 0.62 | 0.67 | 0.81 | 0.74 | 0.81 | 0.60 | 0.72 | 0.83 | 0.54 | 0.44 | NA | NA | NA | NA | 0.97 | 1.95 | 1.37 | 0.89 | 1.11 | 1.08 | 0.52 | 0.43 | 0.56 | 0.41 | 0.54 | 0.59 | 0.67 |
| EDTA (CAS# 60-00-4); (M-H)- | ME193096 | 0.96 | NA | NA | NA | NA | 0.31 | 1.43 | NA | NA | 1.26 | NA | 0.02 | 1.27 | 0.88 | 0.84 | 0.85 | NA | NA | NA | NA | 0.69 | 0.43 | 0.67 | NA | NA | 0.80 | 1.22 | 0.87 | 1.13 | 2.09 | 1.58 | NA | 1.63 |
| ARACHIDIC ACID (CAS# 506-30-9); (M-H)- | ME193011 | 4.17 | 0.78 | 3.28 | 0.34 | 3.21 | 1.73 | NA | NA | NA | 0.81 | 0.71 | 0.49 | 3.25 | 0.16 | 0.29 | 0.13 | NA | NA | NA | NA | 0.26 | 0.30 | 0.46 | 0.38 | NA | 0.33 | 0.14 | 0.16 | 0.13 | 0.27 | 0.20 | 0.15 | 0.16 |
| FRUCTOSE (CAS# 57-48-7); (M+HCOO)- | ME193106 | 0.87 | 1.24 | 1.02 | 0.34 | 0.92 | 0.87 | NA | NA | NA | NA | NA | NA | NA | NA | 0.79 | 0.16 | NA | NA | NA | NA | 1.29 | 2.07 | 1.36 | 1.26 | 2.05 | 1.49 | NA | 0.24 | NA | 0.25 | 0.19 | NA | 0.31 |
| CELLOBIOSE (CAS# 528-50-7); (M+CL)- | ME193034 | 0.63 | 0.21 | 1.07 | 0.27 | 0.38 | NA | NA | NA | NA | NA | 2.22 | NA | 2.05 | NA | 2.12 | 1.34 | NA | NA | NA | NA | NA | 0.13 | 0.95 | NA | 0.38 | 0.64 | NA | 1.41 | 1.13 | 1.53 | 1.10 | NA | 1.07 |
| CIS-11-EICOSENOIC ACID (CAS# 5561-99-9); (M-H)- | ME193038 | 3.11 | 0.64 | 0.55 | 0.02 | 4.42 | 2.35 | 0.06 | NA | 0.04 | 0.03 | 2.31 | 0.02 | 2.71 | NA | 0.03 | NA | NA | NA | NA | NA | 0.09 | 0.06 | 0.07 | 0.02 | 0.03 | 0.07 | NA | NA | NA | NA | 0.04 | NA | NA |
| DIACETYL (CAS# 431-03-8); (M+HCOO)- | ME193089 | 0.28 | 0.25 | NA | 0.21 | 3.92 | NA | 0.08 | NA | 0.29 | 4.49 | 0.53 | 0.27 | 0.16 | 0.12 | NA | 0.41 | NA | NA | NA | NA | NA | 0.39 | 0.43 | NA | 2.15 | 0.30 | 0.27 | 0.57 | 0.42 | 6.29 | NA | NA | 0.46 |
| 2-HYDROXY-3-METHYLBUTYRIC ACID (CAS# 4026-18-0); (M-H)- | ME192942 | 0.49 | 0.71 | 0.45 | 0.24 | 0.78 | 0.55 | 1.21 | 3.30 | NA | 0.94 | NA | NA | 0.60 | 0.93 | 0.50 | NA | NA | NA | NA | NA | 0.51 | 0.72 | 0.51 | 0.51 | 0.99 | 0.64 | 1.98 | 3.31 | 1.41 | 1.44 | 1.43 | NA | NA |
| GLYCOCHOLATE (CAS# 475-31-0); (M-H)- | ME193138 | 1.37 | 1.33 | NA | NA | NA | 1.37 | NA | 0.25 | 0.41 | 0.71 | NA | NA | 0.39 | NA | 1.26 | 0.41 | NA | NA | NA | NA | 1.13 | 0.59 | 1.50 | 1.14 | 1.61 | 1.16 | NA | NA | NA | 0.41 | NA | 0.58 | NA |
| 3-HYDROXY-3-METHYLGLUTARATE (CAS# 503-49-1); (M-H)- | ME192956 | 1.37 | 0.94 | 1.06 | 0.81 | 1.81 | 0.87 | 0.98 | 1.14 | 1.06 | 0.16 | 1.31 | 0.10 | 1.30 | 1.10 | 1.43 | 1.02 | NA | NA | NA | NA | 0.85 | 0.89 | 1.15 | NA | 1.33 | 0.74 | 1.14 | 0.92 | 0.92 | NA | 0.49 | NA | 1.42 |
| ALPHA-D-GALACTOSE 1-PHOSPHATE (CAS# 2255-14-3); (M-H)- | ME193006 | 0.00 | NA | 0.51 | 1.49 | 0.02 | 0.22 | 2.24 | NA | 1.91 | 0.01 | 1.58 | NA | 1.81 | 1.32 | NA | 1.08 | NA | NA | NA | NA | NA | NA | NA | NA | 0.00 | NA | 1.00 | 1.51 | NA | NA | 0.85 | NA | 0.98 |
| GLUCARIC ACID (CAS# 87-73-0); (M-H)+[-H2O] | ME193119 | 1.08 | 1.08 | 0.73 | 0.87 | NA | 0.88 | 0.00 | 0.53 | 0.44 | 0.08 | 0.70 | NA | 0.89 | 1.43 | 1.28 | 1.33 | NA | NA | NA | NA | 1.28 | 1.27 | 1.10 | 1.30 | NA | 1.30 | 1.21 | 1.33 | 1.22 | 0.08 | 1.29 | NA | 1.27 |
Factors:
| F1 | Fraction:Cells | Growth media:NOS with TPP | Growth phase:Early log phase | Sample type:Cells, Cultured | species:denticola |
| F2 | Fraction:Cells | Growth media:NOS with TPP | Growth phase:Late log phase | Sample type:Cells, Cultured | species:denticola |
| F3 | Fraction:Cells | Growth media:NOS with TPP | Growth phase:Late log phase | Sample type:Cells, Cultured | species:medium |
| F4 | Fraction:Cells | Growth media:NOS with TPP | Growth phase:Late log phase | Sample type:Cells, Cultured | species:phagedenis |
| F5 | Fraction:Cells | Growth media:NOS with TPP | Growth phase:Late log phase | Sample type:Cells, Cultured | species:vincentii |
| F6 | Fraction:Cells | Growth media:NOS with TPP | Growth phase:Mid log phase | Sample type:Cells, Cultured | species:denticola |
| F7 | Fraction:Cells | Growth media:OMIZ | Growth phase:Late log phase | Sample type:Cells, Cultured | species:maltophilum |
| F8 | Fraction:Cells | Growth media:OMIZ | Growth phase:Late log phase | Sample type:Cells, Cultured | species:parvum |
| F9 | Fraction:Cells | Growth media:OMIZ | Growth phase:Late log phase | Sample type:Cells, Cultured | species:pectinovorum |
| F10 | Fraction:Cells | Growth media:OMIZ | Growth phase:Late log phase | Sample type:Cells, Cultured | species:vincentii |
| F11 | Fraction:Cells | Growth media:OMIZ with TPP | Growth phase:Late log phase | Sample type:Cells, Cultured | species:denticola |
| F12 | Fraction:Cells | Growth media:OMIZ with TPP | Growth phase:Late log phase | Sample type:Cells, Cultured | species:medium |
| F13 | Fraction:Cells | Growth media:OMIZ with TPP | Growth phase:Mid log phase | Sample type:Cells, Cultured | species:denticola |
| F14 | Fraction:Control media | Growth media:NOS + TPP | Growth phase:control media | Sample type:Culture | species:none |
| F15 | Fraction:Control media | Growth media:OMIZ | Growth phase:control media | Sample type:Culture | species:none |
| F16 | Fraction:Control media | Growth media:OMIZ + TPP | Growth phase:control media | Sample type:Culture | species:none |
| F17 | Fraction:Culture | Growth media:- | Growth phase:- | Sample type:- | species:- |
| F18 | Fraction:Pooled cells | Growth media:Pooled cells | Growth phase:Pooled cells | Sample type:Pooled sample | species:Pooled cells |
| F19 | Fraction:Pooled culture | Growth media:Pooled culture | Growth phase:Pooled culture | Sample type:Pooled sample | species:Pooled culture |
| F20 | Fraction:Pooled culture media | Growth media:Pooled culture media | Growth phase:Pooled culture media | Sample type:Pooled sample | species:Pooled culture media |
| F21 | Fraction:Supernatant | Growth media:NOS with TPP | Growth phase:Early log phase | Sample type:Culture Media | species:denticola |
| F22 | Fraction:Supernatant | Growth media:NOS with TPP | Growth phase:Late log phase | Sample type:Culture Media | species:denticola |
| F23 | Fraction:Supernatant | Growth media:NOS with TPP | Growth phase:Late log phase | Sample type:Culture Media | species:medium |
| F24 | Fraction:Supernatant | Growth media:NOS with TPP | Growth phase:Late log phase | Sample type:Culture Media | species:phagedenis |
| F25 | Fraction:Supernatant | Growth media:NOS with TPP | Growth phase:Late log phase | Sample type:Culture Media | species:vincentii |
| F26 | Fraction:Supernatant | Growth media:NOS with TPP | Growth phase:Mid log phase | Sample type:Culture Media | species:denticola |
| F27 | Fraction:Supernatant | Growth media:OMIZ | Growth phase:Late log phase | Sample type:Culture Media | species:maltophilum |
| F28 | Fraction:Supernatant | Growth media:OMIZ | Growth phase:Late log phase | Sample type:Culture Media | species:parvum |
| F29 | Fraction:Supernatant | Growth media:OMIZ | Growth phase:Late log phase | Sample type:Culture Media | species:pectinovorum |
| F30 | Fraction:Supernatant | Growth media:OMIZ | Growth phase:Late log phase | Sample type:Culture Media | species:vincentii |
| F31 | Fraction:Supernatant | Growth media:OMIZ with TPP | Growth phase:Late log phase | Sample type:Culture Media | species:denticola |
| F32 | Fraction:Supernatant | Growth media:OMIZ with TPP | Growth phase:Late log phase | Sample type:Culture Media | species:medium |
| F33 | Fraction:Supernatant | Growth media:OMIZ with TPP | Growth phase:Mid log phase | Sample type:Culture Media | species:denticola |
