Clustering data with hclust algorithm for (Study ST000523)
(Analysis AN000798)| Metabolite | Structure | F1 | F2 | F3 | F4 | F5 | F6 | F7 | F8 | F9 | F10 |
|---|---|---|---|---|---|---|---|---|---|---|---|
| ASCORBIC ACID (M+H)+[-H2O] | ME157470 | 0.12 | 0.69 | 1.15 | 1.08 | NA | 1.19 | 1.28 | 1.25 | 1.24 | NA |
| 3-AMINOISOBUTYRIC ACID (M+H)+[-H2O] | ME157558 | 0.45 | 0.40 | 1.79 | 0.84 | NA | 1.57 | NA | 1.07 | NA | NA |
| 5^-METHYLTHIOADENOSINE (M+H)+ | ME157532 | 0.19 | 0.74 | 1.46 | 0.69 | NA | 1.63 | 1.01 | 1.53 | 1.54 | NA |
| EICOSANOYLCARNITINE (*) (M+H)+ | ME157497 | 2.11 | 1.20 | 0.51 | 1.18 | NA | 0.71 | 0.38 | 0.40 | 0.54 | NA |
| GLUCOSE (M+Na)+ | ME157525 | 2.04 | 0.90 | 0.70 | 1.37 | NA | 0.66 | 0.60 | 0.73 | 0.62 | NA |
| 5-AMINOPENTANOIC ACID (M+H)+ | ME157522 | 1.11 | 1.17 | 0.96 | 0.87 | NA | 0.97 | 1.09 | 0.95 | 0.81 | NA |
| 18:0 LYSO-PE (M+H)+ | ME157506 | 0.79 | 0.89 | 0.89 | 1.36 | NA | 0.83 | 0.67 | 0.85 | NA | NA |
| 4-PYRIDOXIC ACID (M+Na)+ | ME157541 | 0.10 | 1.02 | 1.45 | 0.51 | NA | 1.68 | 0.67 | 0.66 | 0.51 | NA |
| BUTYRYLCARNITINE (*) (M+H)+ | ME157527 | 0.67 | 1.14 | 1.46 | 0.82 | NA | 1.16 | 0.52 | 0.43 | 0.56 | NA |
| 20:0 LYSO PC (M+H)+ | ME157563 | 1.80 | 1.39 | 0.56 | 1.21 | NA | 0.52 | 0.35 | NA | NA | NA |
| 1-METHYLXANTHINE (M+H)+ | ME157458 | 0.89 | 0.98 | 1.14 | 0.91 | NA | 1.12 | 1.01 | 1.01 | NA | NA |
| 3-(4-HYDROXYPHENYL)LACTIC ACID (M+Na)+ | ME157440 | 1.34 | 0.86 | 1.16 | 0.95 | NA | 1.15 | 0.93 | 0.97 | NA | NA |
| GLYCEROL MYRISTATE (M+Na)+ | ME157533 | 0.96 | 0.91 | 0.66 | 1.26 | NA | 0.60 | 1.49 | 1.21 | 1.34 | NA |
| CREATININE (M+H)+ | ME157564 | 0.09 | 0.48 | 1.61 | 1.48 | NA | 0.97 | 0.68 | NA | NA | NA |
| ACETYLCARNITINE (M+H)+ | ME157495 | 0.58 | 0.76 | 1.89 | 0.68 | NA | 1.78 | 0.51 | 0.21 | 0.52 | NA |
| BIS(2-ETHYLHEXYL)PHTHALIC ACID (M+Na)+ | ME157442 | 0.71 | 0.95 | 1.12 | 0.96 | NA | 1.19 | 0.93 | 0.94 | 0.99 | NA |
| ALPHA-LINOLENIC ACID (M+Na)+ | ME157483 | 1.46 | 0.93 | 0.62 | 1.34 | NA | 0.57 | 0.98 | 1.18 | 1.02 | NA |
| 1-METHYLADENOSINE (M+H)+ | ME157475 | 0.92 | 0.72 | 1.49 | 0.86 | NA | 1.46 | 0.86 | 0.90 | 0.86 | NA |
| 3-METHOXYTYROSINE (M+H)+ | ME157538 | 0.86 | 0.74 | 1.45 | 0.82 | NA | 1.47 | 0.89 | 0.95 | 0.86 | NA |
| CAFFEINE (M+H)+ | ME157530 | 0.75 | 0.82 | 0.89 | 1.18 | NA | 1.05 | 1.39 | 1.00 | 1.12 | NA |
| CHOLINE M+ | ME157501 | 0.43 | 0.55 | 2.08 | 0.76 | NA | 1.19 | 2.52 | 0.71 | 0.83 | NA |
| CREATINE (M+H)+ | ME157517 | 1.84 | 0.96 | 0.57 | 1.43 | NA | 0.66 | 0.63 | 0.63 | 0.77 | NA |
| 3-(4-HYDROXYPHENYL)LACTIC ACID (M+H)+ | ME157542 | NA | 0.53 | 1.63 | 0.65 | NA | 1.64 | 0.56 | 0.59 | NA | NA |
| HIPPURIC ACID (M+H)+ | ME157487 | 0.84 | 0.87 | 1.16 | 1.04 | NA | 1.00 | 1.09 | 1.15 | 1.01 | NA |
| EPIBRASSINOLIDE [ISTD] (M+Na)+ | ME157471 | 1.00 | 1.08 | 0.87 | 1.07 | NA | 0.86 | 0.94 | 0.95 | 0.98 | NA |
| GLYCOCHENODEOXYCHOLIC ACID (M+Na)+ | ME157450 | 1.71 | 1.42 | 0.70 | 0.76 | NA | 0.65 | 1.10 | 1.29 | 0.90 | NA |
| GLYCOCHOLIC ACID (M+H)+[-H2O] | ME157519 | 0.68 | 1.49 | NA | 0.68 | NA | 0.36 | 0.84 | 0.59 | 0.61 | NA |
| EDTA (M+Na)+ | ME157464 | 2.65 | 0.81 | 0.91 | 0.86 | NA | 0.99 | 1.38 | 1.17 | 1.00 | NA |
| 3-METHYLXANTHINE (M+H)+ | ME157498 | 0.91 | 0.98 | 1.13 | 0.91 | NA | 1.11 | 1.01 | 1.01 | NA | NA |
| GLYCOCHENODEOXYCHOLIC ACID (M+H)+[-H2O] | ME157488 | 1.56 | 1.36 | 0.72 | 0.79 | NA | 0.65 | 1.22 | 1.30 | 0.97 | NA |
| DODECENOYLCARNITINE (*) II M+ | ME157505 | 0.77 | 0.73 | 0.96 | 1.53 | NA | 0.80 | 0.86 | 0.70 | 0.72 | NA |
| GLYCOCHENODEOXYCHOLIC ACID (M+H)+ | ME157545 | 0.70 | 1.09 | 0.81 | 1.22 | NA | NA | NA | 0.80 | NA | NA |
| CALCIDIOL (M+H)+[-H2O] | ME157555 | 0.46 | 0.94 | 0.57 | 1.52 | NA | 0.82 | NA | 0.70 | 0.78 | NA |
| BILIVERDIN (M+Na)+ | ME157460 | 0.27 | 0.45 | 2.44 | 0.36 | NA | 2.12 | 0.70 | 0.67 | 0.77 | NA |
| EPIBRASSINOLIDE [ISTD] (M+H)+ | ME157515 | 1.01 | 1.02 | 0.94 | 1.07 | NA | 0.96 | 0.87 | 0.90 | 0.96 | NA |
| DESMOSTEROL (M+H)+[-H2O] | ME157465 | 0.81 | 0.53 | 1.79 | 0.57 | NA | 2.05 | 1.08 | 0.97 | 0.99 | NA |
| 16:0 LYSO PC (M+H)+ | ME157521 | 1.26 | 1.03 | 0.88 | 1.11 | NA | 0.93 | 0.68 | 0.75 | 0.93 | NA |
| 2-HYDROXY-3-METHYLBUTYRIC ACID (M+Na)+ | ME157459 | 1.48 | 0.60 | 1.57 | 0.85 | NA | 1.31 | 0.91 | 0.98 | 0.92 | NA |
| DECANOIC ACID (2M+Na)+ | ME157551 | 1.53 | 0.99 | 0.41 | 1.34 | NA | 0.23 | NA | 0.68 | 1.28 | NA |
| ADENOSINE 5^-MONOPHOSPHATE (M+H)+ | ME157539 | 0.32 | 0.90 | 1.48 | 0.95 | NA | 1.10 | 0.87 | 0.79 | NA | NA |
| HOMOGENTISIC ACID (M+H)+ | ME157486 | 0.55 | 0.75 | 0.64 | 1.55 | NA | 0.85 | 1.29 | 0.87 | 0.80 | NA |
| 1,3,7-TRIMETHYLURIC ACID (M+H)+ | ME157543 | 0.34 | 0.81 | 1.16 | 1.12 | NA | 1.06 | 1.00 | 0.83 | 0.88 | NA |
| DECENOYLCARNITINE (*) (M+H)+ | ME157511 | 1.52 | 1.01 | 0.86 | 1.15 | NA | 0.82 | 0.91 | 0.73 | 0.85 | NA |
| 4-QUINOLINECARBOXYLIC ACID #2 (M+H)+ | ME157438 | 0.76 | 1.13 | 1.03 | 0.90 | NA | 1.07 | 0.86 | 0.86 | NA | NA |
| HEXANOYLCARNITINE (*) M+ | ME157494 | 0.90 | 0.57 | 1.82 | 0.75 | NA | 1.73 | 0.81 | 0.78 | 0.84 | NA |
| BILIVERDIN (M+H)+ | ME157477 | 0.26 | 0.46 | 2.66 | 0.33 | NA | 2.18 | 0.71 | 0.63 | 0.89 | NA |
| GLUTARYLCARNITINE (*) (M+H)+ | ME157461 | 0.70 | 1.03 | 0.83 | 1.08 | NA | 0.86 | 1.32 | 1.02 | 1.20 | NA |
| HIPPURIC ACID (M+Na)+ | ME157513 | 0.99 | 0.84 | 1.14 | 1.12 | NA | 0.97 | 0.99 | 0.95 | 0.91 | NA |
| DECANOYLCARNITINE (*) (M+H)+ | ME157456 | 1.42 | 1.06 | 0.69 | 1.28 | NA | 0.62 | 0.92 | 0.83 | 0.84 | NA |
| ELAIDIC ACID (M+H)+ | ME157472 | 1.97 | 0.87 | 0.59 | 1.49 | NA | 0.60 | 0.68 | 1.11 | 0.81 | NA |
| BIS(2-ETHYLHEXYL)PHTHALIC ACID (M+H)+ | ME157451 | 11.48 | 0.43 | 0.64 | 0.50 | NA | 0.67 | 0.39 | 0.31 | 0.41 | NA |
| AHBA (M+H)+ | ME157503 | 1.04 | 0.80 | 1.04 | 1.13 | NA | 1.11 | 0.91 | 0.97 | 0.99 | NA |
| ADIPIC ACID (M+Na)+ | ME157478 | 0.54 | 0.62 | 1.56 | 1.02 | NA | 1.25 | 0.99 | 0.93 | 1.04 | NA |
| 16:0-18:0 PC (M+H)+ | ME157468 | 1.72 | 1.12 | 0.79 | 0.98 | NA | 1.02 | 0.55 | 0.80 | 0.87 | NA |
| ACETAMINOPHEN (TN TYLENOL) (M+Na)+ | ME157463 | 0.80 | 0.26 | 2.33 | 0.28 | NA | 2.70 | 1.36 | 1.69 | 2.03 | NA |
| CARNITINE (M+H)+ | ME157516 | 8.53 | 1.01 | 0.49 | 0.49 | NA | 0.53 | 0.46 | 0.37 | 0.29 | NA |
| CITRIC ACID (M+Na)+ | ME157474 | 11.39 | 0.54 | 0.40 | 0.72 | NA | 0.41 | 0.44 | 0.63 | 0.50 | NA |
| ACETAMINOPHEN (TN TYLENOL) (M+H)+ | ME157499 | 0.57 | 0.36 | 1.66 | 0.44 | NA | 1.98 | 1.11 | 1.08 | 1.46 | NA |
| 3-AMINO-4-HYDROXYBENZOIC ACID (M+H)+ | ME157570 | NA | 1.03 | 0.87 | 1.12 | NA | 0.97 | 0.92 | NA | NA | NA |
| 3-DEHYDROXYCARNITINE (M+H)+ | ME157554 | 1.72 | 1.24 | 0.68 | 1.03 | NA | 0.63 | NA | 0.90 | 0.89 | NA |
| ALPHA-TOCOPHEROL (M+H)+ | ME157490 | 1.21 | 0.92 | 1.11 | 0.82 | NA | 1.06 | 1.36 | 1.35 | 1.19 | NA |
| 3-HYDROXYLAUROYLCARNITINE (*) (M+H)+ | ME157565 | 0.90 | 0.95 | 1.15 | 1.12 | NA | 0.89 | 0.71 | NA | NA | NA |
| 25-HYDROXYCHOLESTEROL (M+H)+[-H2O] | ME157549 | 1.32 | 0.97 | 0.72 | 1.24 | NA | 0.81 | NA | 0.86 | 0.98 | NA |
| EDTA (M+H)+ | ME157547 | 5.22 | 0.51 | 0.75 | 0.54 | NA | 1.08 | NA | 0.65 | 0.85 | NA |
| 3-HYDROXYBENZALDEHYDE (M+H)+[-H2O] | ME157466 | 0.84 | 0.86 | 1.19 | 1.03 | NA | 1.00 | 1.06 | 1.15 | 1.01 | NA |
| 1-METHYLXANTHINE (M+Na)+ | ME157548 | 1.10 | 1.12 | 0.96 | 0.85 | NA | 1.03 | NA | 1.01 | NA | NA |
| CHOLESTEROL (M+H)+[-H2O] | ME157439 | 1.16 | 0.96 | 1.21 | 0.61 | NA | 1.29 | 1.40 | 1.43 | 1.24 | NA |
| CAFFEINE (M+Na)+ | ME157462 | 0.81 | 0.87 | 0.77 | 1.29 | NA | 0.90 | 1.44 | 0.88 | 0.98 | NA |
| DODECENOYLCARNITINE (*) M+ | ME157444 | 0.96 | 0.79 | 0.92 | 1.48 | NA | 0.76 | 0.80 | 0.61 | 0.76 | NA |
Factors:
| F1 | Gender:CHEAR_REFERENCE | Timing of Sample Collection:CHEAR_REFERENCE | Type of Family Member:CHEAR_REFERENCE |
| F2 | Gender:Female | Timing of Sample Collection:1st trimester | Type of Family Member:mother |
| F3 | Gender:Female | Timing of Sample Collection:term (birth) | Type of Family Member:child |
| F4 | Gender:Female | Timing of Sample Collection:term (birth) | Type of Family Member:mother |
| F5 | Gender:LIPIDOMICS_STD | Timing of Sample Collection:LIPIDOMICS_STD | Type of Family Member:LIPIDOMICS_STD |
| F6 | Gender:Male | Timing of Sample Collection:term (birth) | Type of Family Member:child |
| F7 | Gender:POOL_BATCH1 | Timing of Sample Collection:POOL_BATCH1 | Type of Family Member:POOL_BATCH1 |
| F8 | Gender:POOL_BATCH2 | Timing of Sample Collection:POOL_BATCH2 | Type of Family Member:POOL_BATCH2 |
| F9 | Gender:POOL_BATCH3 | Timing of Sample Collection:POOL_BATCH3 | Type of Family Member:POOL_BATCH3 |
| F10 | Gender:RED_CROSS_REFERENCE | Timing of Sample Collection:RED_CROSS_REFERENCE | Type of Family Member:RED_CROSS_REFERENCE |
