Clustering data with hclust algorithm for (Study ST000855)
(Analysis AN001422)| Metabolite | Structure | F1 | F2 | F3 | F4 | F5 | F6 | F7 | F8 | F9 | F10 | F11 | F12 | F13 | F14 | F15 | F16 | F17 |
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| ARACHIDONIC ACID (M-H)- | ME226430 | 0.10 | 0.53 | 0.28 | 1.12 | 0.72 | 2.67 | 0.53 | 0.51 | 0.67 | 2.29 | 0.92 | 0.33 | 9.64 | 1.02 | 0.49 | 1.87 | NA |
| DOCOSAHEXAENOIC ACID (M-H)- | ME226434 | NA | 0.25 | 0.16 | 1.02 | 0.52 | 2.76 | 0.47 | 0.48 | 0.70 | 1.54 | 0.77 | 0.42 | 8.85 | 0.77 | 0.32 | 1.73 | NA |
| LINOLEIC ACID (M-H)- | ME226444 | 0.17 | 0.35 | 0.44 | 1.40 | 0.32 | 2.46 | 0.54 | 0.50 | 0.63 | 0.42 | 0.76 | 0.46 | 11.69 | 0.72 | 0.55 | 4.43 | NA |
| OLEIC ACID (M-H)- | ME226448 | 0.16 | 1.13 | 0.53 | 1.46 | 0.25 | 2.60 | 0.55 | 0.61 | 0.64 | 0.36 | 0.48 | 0.29 | 11.54 | 0.67 | 0.64 | 1.84 | NA |
| SUBERIC ACID (M-H)- | ME226458 | 0.41 | 0.79 | 1.20 | 1.10 | 1.13 | 0.90 | 0.79 | 1.06 | 1.05 | 0.88 | 1.45 | 0.96 | 1.90 | 1.77 | 0.53 | 5.29 | NA |
| PIMELIC ACID (M-H)- | ME226455 | 0.75 | 1.06 | 4.32 | 0.25 | 0.75 | 0.86 | 0.72 | 0.64 | 1.22 | 3.08 | 1.22 | 0.72 | 4.01 | 1.11 | 0.90 | 0.80 | NA |
| 4-ACETAMIDOBUTANOIC ACID (M-H)- | ME226424 | 0.49 | 0.20 | 3.11 | 0.25 | 2.67 | 0.94 | 0.65 | 1.05 | 1.17 | 0.54 | 2.96 | 0.83 | 0.28 | 2.49 | 1.53 | 0.31 | NA |
| 4-PYRIDOXIC ACID (M-H)- | ME226428 | 3.32 | 3.53 | 0.50 | 0.16 | 0.02 | 0.97 | 1.28 | 0.77 | 0.82 | 0.13 | 0.28 | 0.29 | 1.48 | 0.28 | 2.12 | 1.18 | NA |
| XANTHOSINE (M-H)- | ME226465 | 3.59 | 1.85 | 0.73 | 0.11 | NA | 1.02 | 1.03 | 0.91 | 1.00 | 1.10 | 0.68 | 0.73 | 0.20 | 1.10 | 0.61 | 2.51 | NA |
| PALMITIC ACID (M-H)- | ME226451 | 0.45 | 0.67 | 0.83 | 0.83 | 0.57 | 2.19 | 0.76 | 0.74 | 0.76 | 0.70 | 0.77 | 0.66 | 6.23 | 0.77 | 1.01 | 1.02 | NA |
| PALMITOLEIC ACID (M-H)- | ME226452 | 0.53 | 0.67 | 1.20 | 0.87 | 0.39 | 1.69 | 0.83 | 0.67 | 0.95 | 0.30 | 0.63 | 0.57 | 4.56 | 0.78 | 0.72 | 1.32 | NA |
| STEARIC ACID (M-H)- | ME226457 | 0.52 | 0.83 | 0.98 | 1.22 | 0.73 | 1.15 | 0.91 | 0.92 | 0.93 | 0.85 | 0.94 | 0.75 | 3.74 | 1.01 | 1.20 | 1.25 | NA |
| PANTOTHENIC ACID (M+Cl)- | ME226453 | 0.40 | 0.73 | 3.49 | 0.23 | 0.19 | 0.95 | 1.10 | 1.02 | 0.97 | 0.96 | 0.46 | 0.57 | 1.26 | 0.97 | 1.11 | 0.09 | NA |
| PANTOTHENIC ACID (M-H)- | ME226454 | 0.56 | 0.60 | 4.47 | 0.46 | 0.13 | 0.94 | 1.07 | 1.11 | 0.97 | 0.89 | 0.44 | 0.74 | 1.25 | 0.96 | 0.98 | 0.08 | NA |
| METHYLMALONIC ACID (M-H)- | ME226445 | 0.89 | 0.78 | 3.65 | 0.91 | 0.21 | 0.97 | 0.87 | 1.15 | 1.03 | 2.02 | 0.69 | 1.00 | 1.56 | 0.98 | 0.74 | 1.16 | NA |
| N-ACETYL-L-LEUCINE (M-H)- | ME226446 | 0.34 | 1.45 | 2.95 | 0.50 | 0.04 | 1.15 | 0.96 | 0.94 | 0.97 | 1.53 | 1.06 | 1.14 | 1.63 | 0.82 | 1.43 | 0.53 | NA |
| XANTHURENIC ACID (M-H)- | ME226466 | 0.70 | 1.39 | 1.71 | NA | 0.44 | 1.24 | 0.65 | 0.98 | 1.37 | 0.62 | 0.31 | 0.45 | 0.78 | 0.50 | 0.49 | 0.26 | NA |
| 4-ACETAMINOPHEN SULFATE (M-H)- | ME226425 | 0.00 | 0.43 | 0.00 | 0.00 | 0.21 | 1.30 | 0.38 | 1.64 | 1.29 | 0.52 | 0.62 | 0.41 | 0.16 | 0.04 | 0.14 | 0.00 | NA |
| P-ACETAMIDOPHENYL BETA-D-GLUCURONIDE (M-H)- | ME226450 | NA | 1.85 | 0.17 | NA | NA | 1.42 | 0.66 | 1.22 | 1.25 | 0.37 | 0.24 | 0.49 | 0.04 | 1.64 | 0.16 | 0.12 | NA |
| 4-METHYL-2-OXOPENTANOIC ACID (M-H)- | ME226427 | NA | 0.32 | 0.67 | 0.25 | 0.13 | 1.27 | 0.74 | 0.56 | 1.28 | 0.34 | 1.05 | 1.46 | 2.27 | 0.43 | 0.27 | NA | NA |
| 4-HYDROXYBENZOIC ACID (M-H)- | ME226426 | 0.23 | 0.24 | 1.99 | 0.75 | 0.64 | 1.44 | 0.91 | 1.27 | 0.88 | 0.40 | 0.73 | 2.48 | 0.61 | 0.45 | 0.54 | 0.11 | NA |
| 3-METHYL-2-OXOPENTANOIC ACID (M-H)- | ME226422 | 0.10 | 0.70 | 1.39 | 0.42 | 0.12 | 0.75 | 0.77 | 0.93 | 1.29 | 0.67 | 0.98 | 2.33 | 1.05 | 1.24 | 0.34 | 0.04 | NA |
| ITACONIC ACID (M-H)- | ME226442 | 0.11 | 0.02 | 1.75 | 0.10 | NA | 1.07 | 0.95 | 1.33 | 0.85 | 0.75 | 1.11 | 2.60 | 0.84 | 1.30 | 0.85 | 0.16 | NA |
| HIPPURIC ACID (M-H)- | ME226439 | 1.23 | 0.76 | 1.36 | 0.18 | 0.82 | 0.64 | 1.05 | 0.78 | 1.04 | 0.50 | 1.72 | 1.66 | 0.50 | 1.60 | 1.37 | 2.14 | NA |
| GLUCURONIC ACID (M-H)- | ME226438 | 0.97 | 1.53 | 0.24 | 0.94 | NA | 1.03 | 1.09 | 0.90 | 0.92 | 2.61 | 0.67 | 0.69 | 2.10 | 0.63 | 0.86 | 1.76 | NA |
| L-HISTIDINE (M-H)- | ME226443 | 1.11 | 1.29 | 0.89 | 0.49 | 0.04 | 1.07 | 1.03 | 0.92 | 0.98 | 2.45 | 0.45 | 0.88 | 0.58 | 1.15 | 1.55 | 1.33 | NA |
| 3^,5^-CYCLIC AMP (M-H)- | ME226420 | 2.24 | 1.77 | 0.61 | 0.63 | 1.63 | 0.93 | 0.92 | 0.92 | 1.08 | 0.59 | 0.95 | 1.09 | 1.71 | 0.62 | 0.85 | 0.80 | NA |
| GLUCONIC ACID (M-H)- | ME226436 | 1.78 | 1.16 | NA | 1.50 | 0.80 | 1.04 | 1.17 | 0.76 | 0.90 | 1.06 | 0.59 | 0.83 | 1.88 | 0.43 | 1.48 | 0.91 | NA |
| GLUCOSE (M+Cl)- | ME226437 | 1.52 | 2.11 | 0.03 | 1.10 | 0.14 | 0.93 | 1.16 | 0.82 | 0.90 | 1.15 | 0.26 | 1.03 | 1.47 | 0.61 | 2.23 | 1.22 | NA |
| HYODEOXYCHOLIC ACID (M-H)- | ME226440 | 1.11 | 0.72 | 0.93 | 2.62 | 0.87 | 1.01 | 0.93 | 0.92 | 1.09 | 1.05 | 0.66 | 1.17 | 0.92 | 0.96 | 0.75 | 0.53 | NA |
| XANTHINE (M-H)- | ME226464 | 0.99 | 1.67 | 0.68 | 1.73 | 1.91 | 0.93 | 0.98 | 1.04 | 0.99 | 1.04 | 1.14 | 0.80 | 0.88 | 1.48 | 0.92 | 0.59 | NA |
| 3-METHYLXANTHINE (M-H)- | ME226423 | 0.24 | 0.46 | 0.50 | 1.52 | 0.00 | 0.70 | 0.95 | 0.92 | 1.16 | 1.77 | 0.92 | 1.01 | 1.24 | 0.62 | 1.16 | 1.82 | NA |
| THEOPHYLLINE (M-H)- | ME226460 | 0.19 | 0.40 | 0.44 | 1.08 | 0.43 | 1.04 | 0.76 | 1.14 | 1.15 | 1.50 | 0.73 | 1.59 | 0.74 | 0.61 | 1.51 | 1.19 | NA |
| SUCCINIC ACID (M-H)- | ME226459 | 1.45 | 0.81 | 0.32 | 0.92 | 0.50 | 1.14 | 1.04 | 0.99 | 0.95 | 1.46 | 1.05 | 0.70 | 0.64 | 1.25 | 1.32 | 0.25 | NA |
| TYROSINE (M-H)- | ME226463 | 1.32 | 1.10 | 0.72 | 0.95 | NA | 0.98 | 0.91 | 0.88 | 1.08 | 1.17 | 0.95 | 1.13 | 0.83 | 1.60 | 1.51 | 0.21 | NA |
| CITRAMALIC ACID (M-H)- | ME226431 | 0.79 | 0.51 | 0.71 | 1.29 | 0.87 | 1.05 | 0.96 | 1.02 | 1.02 | 0.93 | 0.76 | 0.94 | 1.39 | 0.98 | 0.84 | 1.76 | NA |
| TRICARBALLYLIC ACID (M-H)- | ME226461 | 0.79 | 0.64 | 1.73 | 1.19 | 1.46 | 1.15 | 0.97 | 0.85 | 1.03 | 0.97 | 1.03 | 0.67 | 0.77 | 1.29 | 1.45 | 1.29 | NA |
| 3-HYDROXY-3-METHYLGLUTARIC ACID (M-H)- | ME226421 | 0.50 | 0.66 | 1.83 | 0.63 | 1.00 | 1.09 | 0.90 | 0.91 | 1.09 | 1.01 | 1.22 | 0.71 | 1.30 | 1.19 | 0.85 | 0.86 | NA |
| ADIPIC ACID (M-H)- | ME226429 | 0.45 | 0.71 | 1.35 | 0.55 | 0.72 | 0.93 | 1.03 | 1.05 | 1.03 | 1.15 | 0.49 | 0.70 | 1.15 | 0.98 | 1.13 | 1.02 | NA |
| EPIBRASSINOLIDE [ISTD] (M+Cl)- | ME226435 | 1.14 | 0.73 | 1.16 | 0.88 | 0.91 | 1.05 | 0.99 | 0.91 | 1.02 | 0.90 | 1.05 | 1.20 | 0.82 | 1.06 | 1.08 | 0.69 | NA |
| TRYPTOPHAN (M-H)- | ME226462 | 1.14 | 0.79 | 1.13 | 0.72 | 0.41 | 1.04 | 0.94 | 0.88 | 1.06 | 1.03 | 1.14 | 1.22 | 0.85 | 1.34 | 1.26 | 0.54 | NA |
| ISOLEUCINE (M-H)- | ME226441 | 0.73 | 0.94 | 1.30 | 1.27 | 0.47 | 0.99 | 1.02 | 0.99 | 1.03 | 1.36 | 0.80 | 0.58 | 0.79 | 0.98 | 0.98 | 0.68 | NA |
| OXALOACETIC ACID (M-H)-[-H2O] | ME226449 | 0.98 | 1.12 | 1.10 | 1.19 | 1.02 | 1.02 | 1.00 | 0.98 | 1.00 | 1.08 | 1.03 | 0.97 | 0.93 | 0.99 | 0.98 | 1.16 | NA |
| SEBACIC ACID (M-H)- | ME226456 | 0.19 | 0.98 | 0.98 | 1.25 | 0.03 | 1.01 | 1.08 | 0.97 | 1.00 | 0.49 | 0.36 | 0.65 | 1.66 | 1.32 | 0.66 | 0.25 | NA |
| DEOXYCHOLIC ACID (M+Cl)- | ME226432 | 0.54 | 1.16 | 1.12 | 1.38 | NA | 0.82 | 0.98 | 1.06 | 1.04 | 0.25 | 0.95 | 0.56 | 1.50 | 0.95 | 1.28 | 1.05 | NA |
| DEOXYCHOLIC ACID (M-H)- | ME226433 | 0.94 | 1.00 | 0.94 | 1.41 | NA | 0.72 | 1.01 | 1.12 | 1.03 | 0.28 | 0.61 | 1.04 | 1.17 | 0.96 | 1.11 | 1.05 | NA |
| 1,7-DIMETHYL URIC ACID (M-H)- | ME226418 | 0.18 | 0.33 | 0.69 | 0.86 | 0.66 | 0.97 | 0.81 | 1.00 | 1.13 | 1.21 | 1.08 | 1.27 | 2.28 | 0.57 | 1.39 | 1.09 | NA |
| 1-METHYLXANTHINE (M-H)- | ME226419 | 0.12 | 1.13 | 1.34 | 0.86 | 0.08 | 0.68 | 0.83 | 0.96 | 1.21 | 1.53 | 1.02 | 1.19 | 1.78 | 0.69 | 0.95 | 0.97 | NA |
| N-ACETYL-L-PHENYLALANINE (M-H)- | ME226447 | 0.77 | 1.07 | 0.78 | 0.42 | 0.16 | 0.97 | 0.93 | 1.16 | 1.03 | 0.79 | 0.89 | 1.11 | 1.48 | 0.70 | 0.95 | 0.71 | NA |
Factors:
| F1 | Alcohol use in pregnancy:NA | Smoking status in pregnancy:NA | Parity:nulliparous | Preterm:term |
| F2 | Alcohol use in pregnancy:NA | Smoking status in pregnancy:NA | Parity:parous | Preterm:term |
| F3 | Alcohol use in pregnancy:NA | Smoking status in pregnancy:No | Parity:nulliparous | Preterm:preterm |
| F4 | Alcohol use in pregnancy:NA | Smoking status in pregnancy:No | Parity:parous | Preterm:preterm |
| F5 | Alcohol use in pregnancy:NA | Smoking status in pregnancy:No | Parity:parous | Preterm:term |
| F6 | Alcohol use in pregnancy:No | Smoking status in pregnancy:No | Parity:nulliparous | Preterm:preterm |
| F7 | Alcohol use in pregnancy:No | Smoking status in pregnancy:No | Parity:nulliparous | Preterm:term |
| F8 | Alcohol use in pregnancy:No | Smoking status in pregnancy:No | Parity:parous | Preterm:preterm |
| F9 | Alcohol use in pregnancy:No | Smoking status in pregnancy:No | Parity:parous | Preterm:term |
| F10 | Alcohol use in pregnancy:No | Smoking status in pregnancy:Yes | Parity:nulliparous | Preterm:preterm |
| F11 | Alcohol use in pregnancy:No | Smoking status in pregnancy:Yes | Parity:nulliparous | Preterm:term |
| F12 | Alcohol use in pregnancy:No | Smoking status in pregnancy:Yes | Parity:parous | Preterm:preterm |
| F13 | Alcohol use in pregnancy:No | Smoking status in pregnancy:Yes | Parity:parous | Preterm:term |
| F14 | Alcohol use in pregnancy:Yes | Smoking status in pregnancy:No | Parity:nulliparous | Preterm:term |
| F15 | Alcohol use in pregnancy:Yes | Smoking status in pregnancy:No | Parity:parous | Preterm:term |
| F16 | Alcohol use in pregnancy:Yes | Smoking status in pregnancy:Yes | Parity:nulliparous | Preterm:term |
| F17 | Alcohol use in pregnancy:Yes | Smoking status in pregnancy:Yes | Parity:parous | Preterm:term |
