Clustering data with hclust algorithm for (Study ST004385)
Reversed phase NEGATIVE ION MODE (Analysis AN007327)| Metabolite | Structure | F1 | F2 | F3 | F4 | F5 | F6 | F7 | F8 | F9 |
|---|---|---|---|---|---|---|---|---|---|---|
| PE(P-16:0/20:5) | ME1215550 | 0.96 | 0.95 | 0.94 | 0.81 | 0.97 | 1.33 | 0.91 | 1.15 | 0.97 |
| CL(72:7/18:2) | ME1215497 | 0.86 | 0.93 | 0.90 | 0.92 | 1.07 | 1.56 | 0.82 | 0.96 | 0.98 |
| LPG(22:6) | ME1215532 | 0.85 | 1.02 | 0.91 | 0.96 | 0.93 | 1.46 | 0.91 | 0.97 | 1.00 |
| Hemi-BMP(18:1/18:1)_18:1 | ME1215514 | 0.96 | 1.01 | 0.89 | 0.93 | 1.10 | 1.35 | 0.93 | 0.90 | 0.89 |
| Hemi-BMP(22:6/22:6)_16:0 | ME1215519 | 1.00 | 1.08 | 0.84 | 0.86 | 1.12 | 1.35 | 0.85 | 0.91 | 0.99 |
| BMP(18:0_20:4) | ME1215489 | 1.00 | 0.99 | 0.91 | 0.83 | 1.06 | 1.54 | 0.84 | 0.84 | 0.99 |
| LPG(20:4) | ME1215531 | 1.01 | 0.95 | 0.94 | 0.87 | 1.07 | 1.42 | 0.88 | 0.87 | 0.99 |
| BMP(18:1/18:1) | ME1215491 | 1.00 | 0.98 | 0.82 | 0.89 | 1.10 | 1.44 | 0.91 | 0.86 | 0.99 |
| Hemi-BMP(18:1/18:1)_18:0 | ME1215513 | 1.01 | 0.96 | 0.87 | 0.87 | 1.11 | 1.45 | 0.87 | 0.89 | 0.94 |
| Hemi-BMP(20:4/20:4)_16:0 | ME1215515 | 0.94 | 1.08 | 0.98 | 0.89 | 1.02 | 1.44 | 0.84 | 0.83 | 0.95 |
| PS(16:0_20:4) | ME1215581 | 0.99 | 1.00 | 0.95 | 0.93 | 1.05 | 1.39 | 0.79 | 0.89 | 1.00 |
| BMP(16:1/16:1) | ME1215487 | 1.00 | 0.96 | 0.79 | 0.86 | 1.00 | 1.57 | 0.91 | 0.90 | 1.01 |
| PE(P-18:0/20:5) | ME1215556 | 1.02 | 0.94 | 0.78 | 0.75 | 1.09 | 1.49 | 0.92 | 1.02 | 0.99 |
| Cholesterol sulfate | ME1215494 | 1.04 | 1.16 | 1.18 | 1.20 | 0.86 | 0.84 | 0.87 | 0.84 | 1.02 |
| CL(72:8-2(OOH)/18:2) | ME1215498 | 0.92 | 0.96 | 0.89 | 0.90 | 1.06 | 1.26 | 1.05 | 1.04 | 0.88 |
| (3-O-sulfo)GalCer(d18:1/16:0) | ME1215471 | 1.01 | 1.01 | 0.93 | 0.95 | 1.06 | 1.20 | 0.98 | 0.95 | 0.84 |
| (3-O-sulfo)GalCer(d18:1/24:1) | ME1215478 | 1.00 | 0.97 | 0.91 | 0.96 | 1.06 | 1.16 | 1.05 | 0.98 | 0.87 |
| PA(16:0_18:1) | ME1215537 | 0.99 | 0.94 | 0.86 | 0.90 | 1.12 | 1.18 | 1.04 | 0.98 | 0.97 |
| PE(P-18:0/18:2) | ME1215554 | 0.96 | 0.99 | 0.90 | 0.96 | 1.11 | 1.14 | 0.98 | 1.00 | 0.95 |
| PI(16:0_18:1) | ME1215571 | 0.95 | 0.93 | 0.88 | 0.99 | 1.03 | 1.15 | 1.12 | 0.99 | 0.94 |
| PI(18:0_18:1) | ME1215574 | 0.98 | 0.95 | 0.89 | 0.97 | 0.97 | 1.12 | 1.17 | 1.03 | 0.87 |
| PA(18:1/18:1) | ME1215541 | 0.99 | 0.97 | 0.90 | 0.97 | 1.13 | 0.97 | 1.07 | 1.01 | 1.01 |
| PA(18:0_18:1) | ME1215538 | 0.99 | 0.96 | 0.88 | 0.93 | 1.09 | 1.08 | 1.13 | 0.98 | 0.95 |
| PI(18:1/18:1) | ME1215577 | 0.99 | 0.96 | 0.86 | 0.96 | 1.08 | 1.05 | 1.08 | 1.03 | 0.99 |
| PI(16:0_22:6) | ME1215573 | 0.95 | 0.94 | 0.89 | 1.00 | 1.10 | 1.07 | 1.06 | 1.01 | 0.96 |
| PI(18:0_22:6) | ME1215576 | 0.95 | 0.92 | 0.88 | 0.98 | 1.11 | 1.09 | 1.08 | 0.99 | 0.97 |
| (3-O-sulfo)GalCer(d18:1/18:0) | ME1215474 | 1.01 | 1.00 | 0.93 | 0.97 | 1.09 | 1.25 | 0.95 | 0.96 | 0.72 |
| (3-O-sulfo)GalCer(d18:1/18:0(d3)) | ME1215473 | 1.01 | 1.01 | 0.96 | 0.98 | 1.05 | 1.27 | 0.94 | 0.96 | 0.71 |
| GM3(d36:1) | ME1215509 | 1.02 | 1.00 | 0.96 | 0.97 | 1.03 | 1.28 | 0.87 | 0.94 | 0.89 |
| Hemi-BMP(18:1/18:1)_16:0 | ME1215512 | 0.97 | 1.00 | 0.96 | 0.98 | 0.97 | 1.23 | 0.94 | 1.02 | 0.86 |
| CL(74:9/18:2) | ME1215500 | 0.88 | 0.96 | 0.97 | 1.03 | 1.09 | 1.15 | 0.89 | 1.06 | 0.98 |
| PI(20:4/20:4) | ME1215578 | 0.87 | 1.03 | 0.99 | 1.04 | 0.96 | 1.26 | 0.88 | 0.94 | 1.03 |
| CL(72:6/18:2) | ME1215496 | 0.92 | 0.94 | 0.88 | 0.97 | 1.06 | 1.29 | 0.92 | 1.02 | 1.00 |
| LPG(18:1) | ME1215530 | 0.98 | 0.98 | 0.91 | 0.97 | 1.09 | 1.18 | 0.96 | 0.91 | 1.01 |
| LPG(16:0) | ME1215528 | 1.00 | 0.95 | 0.94 | 0.97 | 1.06 | 1.27 | 0.89 | 0.91 | 1.01 |
| LPG(18:0) | ME1215529 | 0.96 | 1.00 | 0.92 | 0.93 | 1.07 | 1.26 | 0.93 | 0.93 | 1.01 |
| PE(O-16:0/20:4) | ME1215545 | 1.01 | 1.06 | 1.19 | 1.05 | 0.86 | 0.87 | 0.93 | 1.05 | 1.00 |
| PE(P-16:0/20:4) | ME1215549 | 1.01 | 1.06 | 1.19 | 1.06 | 0.84 | 0.81 | 0.94 | 1.08 | 1.00 |
| PE(P-16:0/22:4) | ME1215551 | 1.01 | 1.06 | 1.17 | 1.04 | 0.86 | 0.82 | 0.95 | 1.08 | 0.99 |
| LPI(16:0) | ME1215533 | 1.15 | 0.97 | 1.08 | 1.03 | 0.94 | 0.87 | 0.97 | 0.97 | 1.02 |
| LPI(18:0) | ME1215534 | 1.16 | 0.97 | 1.15 | 1.02 | 0.89 | 0.85 | 0.97 | 0.99 | 0.99 |
| GD3(d36:1) | ME1215506 | 1.02 | 0.98 | 1.09 | 1.01 | 0.92 | 1.13 | 1.02 | 0.97 | 0.76 |
| Hemi-BMP(14:0/14:0)_14:0 | ME1215511 | 0.97 | 1.03 | 1.06 | 1.02 | 0.92 | 1.07 | 1.02 | 1.03 | 0.80 |
| LPE(16:0) | ME1215525 | 1.03 | 1.06 | 0.96 | 0.97 | 0.92 | 1.07 | 0.98 | 1.05 | 0.93 |
| LPE(18:0) | ME1215526 | 1.05 | 1.07 | 0.97 | 0.98 | 0.93 | 1.00 | 0.95 | 1.08 | 0.94 |
| GM3(d18:1/18:0(d5)) | ME1215507 | 0.97 | 1.00 | 1.00 | 1.01 | 0.97 | 1.06 | 1.05 | 0.98 | 0.92 |
| PG(16:0_22:6) | ME1215565 | 0.97 | 0.99 | 0.96 | 1.00 | 1.03 | 1.04 | 1.01 | 1.00 | 0.98 |
| PS(18:0_18:1) | ME1215583 | 0.99 | 1.00 | 0.97 | 0.96 | 1.00 | 1.05 | 1.05 | 0.99 | 0.98 |
| PS(18:0_20:4) | ME1215584 | 1.00 | 1.00 | 0.97 | 0.99 | 0.99 | 1.08 | 1.00 | 0.99 | 0.99 |
| PA(18:0_20:4) | ME1215539 | 0.99 | 0.96 | 0.95 | 0.94 | 1.05 | 1.11 | 1.04 | 0.99 | 0.97 |
| PE(P-18:0/18:1) | ME1215553 | 1.00 | 0.99 | 0.94 | 0.97 | 1.01 | 1.09 | 1.06 | 0.99 | 0.93 |
| PE(15:0/18:1(d7)) | ME1215544 | 0.98 | 0.97 | 1.02 | 1.00 | 0.95 | 1.02 | 0.99 | 1.10 | 0.94 |
| PS(15:0/18:1(d7)) | ME1215579 | 1.01 | 1.01 | 1.05 | 1.00 | 0.90 | 0.99 | 1.00 | 1.06 | 0.98 |
| PA(15:0/18:1(d7)) | ME1215536 | 1.01 | 1.01 | 1.01 | 0.98 | 0.95 | 1.02 | 1.02 | 1.04 | 0.94 |
| PI(15:0/18:1(d7)) | ME1215570 | 1.02 | 0.99 | 1.04 | 0.99 | 0.91 | 1.02 | 1.03 | 1.05 | 0.92 |
| PE(P-18:1/22:6) | ME1215559 | 1.01 | 1.02 | 0.98 | 0.99 | 0.99 | 0.98 | 1.00 | 1.03 | 1.00 |
| PEth(16:0_18:1) | ME1215560 | 1.01 | 1.02 | 0.98 | 0.99 | 0.98 | 0.99 | 0.98 | 1.05 | 1.01 |
| PE(O-18:0/22:6) | ME1215548 | 1.00 | 1.02 | 1.01 | 1.00 | 0.97 | 1.02 | 0.98 | 1.02 | 0.97 |
| PG(15:0/18:1(d7)) | ME1215562 | 1.01 | 1.01 | 1.02 | 0.99 | 0.97 | 1.03 | 0.96 | 1.01 | 0.98 |
| LPE(18:1(d7)) | ME1215527 | 0.98 | 1.01 | 1.00 | 0.99 | 0.97 | 1.01 | 1.00 | 1.02 | 1.02 |
| PE(P-18:0/22:6) | ME1215557 | 1.00 | 0.99 | 0.99 | 1.00 | 0.98 | 1.01 | 1.01 | 1.03 | 0.98 |
| Arachidonic acid-d8 | ME1215481 | 1.01 | 1.01 | 1.00 | 0.99 | 0.99 | 1.01 | 1.00 | 1.00 | 0.99 |
| Arachidonic acid-d8_MRM | ME1215482 | 1.00 | 1.00 | 1.02 | 0.99 | 0.97 | 1.02 | 1.00 | 1.00 | 0.99 |
| PI(16:0_20:4) | ME1215572 | 1.00 | 1.03 | 1.00 | 1.00 | 0.99 | 0.98 | 1.01 | 1.01 | 0.95 |
| BMP(14:0/14:0) | ME1215483 | 1.00 | 1.00 | 1.04 | 1.01 | 0.96 | 0.99 | 1.02 | 1.01 | 0.96 |
| PI(18:0_20:4) | ME1215575 | 1.00 | 1.02 | 1.04 | 0.99 | 0.96 | 0.97 | 1.01 | 1.03 | 0.96 |
| PE(P-16:0/22:6) | ME1215552 | 0.98 | 1.00 | 1.03 | 1.01 | 0.96 | 0.96 | 1.01 | 1.05 | 0.99 |
| PS(18:0_22:6) | ME1215585 | 1.01 | 1.00 | 1.01 | 0.99 | 0.98 | 0.96 | 1.01 | 1.04 | 0.99 |
| PG(16:0_18:1) | ME1215563 | 0.95 | 1.01 | 1.00 | 1.04 | 1.00 | 0.96 | 1.00 | 1.03 | 1.00 |
| PS(18:1/18:1) | ME1215586 | 1.00 | 1.02 | 0.98 | 1.00 | 0.99 | 0.94 | 1.03 | 1.05 | 0.98 |
| PS(22:6/22:6) | ME1215587 | 0.98 | 1.00 | 0.95 | 0.99 | 1.01 | 0.97 | 1.04 | 1.06 | 0.98 |
| Stearic acid | ME1215588 | 0.98 | 0.99 | 0.98 | 0.99 | 1.00 | 0.97 | 1.03 | 1.08 | 0.99 |
| Palmitic acid | ME1215542 | 1.08 | 1.00 | 1.02 | 0.99 | 0.96 | 0.94 | 0.97 | 1.03 | 1.03 |
| Arachidonic acid_MRM | ME1215480 | 1.06 | 1.04 | 1.01 | 1.01 | 0.91 | 0.86 | 1.02 | 1.07 | 1.00 |
| Oleic acid | ME1215535 | 1.09 | 1.03 | 1.01 | 1.01 | 0.94 | 0.87 | 0.97 | 1.06 | 1.01 |
| CL(72:8/18:2) | ME1215499 | 0.92 | 0.98 | 1.07 | 1.07 | 0.95 | 0.96 | 0.96 | 1.10 | 0.97 |
| PE(O-16:0/22:6) | ME1215546 | 0.97 | 1.06 | 1.07 | 1.01 | 0.93 | 0.92 | 0.97 | 1.08 | 0.98 |
| PE(O-18:0/20:4) | ME1215547 | 1.01 | 1.04 | 1.09 | 1.04 | 0.93 | 0.92 | 0.97 | 1.03 | 0.96 |
| PE(P-18:0/20:4) | ME1215555 | 1.02 | 1.03 | 1.06 | 1.02 | 0.95 | 0.94 | 0.97 | 1.02 | 0.98 |
| PG(18:0_18:1) | ME1215566 | 0.95 | 1.06 | 1.02 | 1.09 | 0.99 | 0.89 | 0.96 | 1.06 | 0.97 |
| PE(P-18:1/20:4) | ME1215558 | 1.01 | 1.05 | 1.03 | 1.03 | 0.99 | 0.90 | 0.96 | 1.02 | 1.01 |
| PG(18:0_20:4) | ME1215567 | 0.98 | 1.01 | 1.08 | 1.05 | 0.98 | 0.89 | 1.00 | 1.02 | 1.01 |
| PG(16:0_20:4) | ME1215564 | 0.95 | 1.03 | 1.06 | 1.07 | 0.98 | 0.87 | 1.03 | 1.03 | 0.97 |
| PG(18:1/18:1) | ME1215569 | 0.98 | 1.05 | 1.04 | 1.06 | 0.95 | 0.88 | 1.00 | 1.04 | 1.00 |
| Linoleic acid | ME1215523 | 1.11 | 1.06 | 0.94 | 0.96 | 1.00 | 1.06 | 0.82 | 1.02 | 1.06 |
| DHA | ME1215501 | 1.11 | 1.00 | 0.93 | 0.95 | 0.97 | 1.04 | 0.93 | 1.06 | 1.02 |
| Palmitoleic acid | ME1215543 | 1.08 | 1.01 | 0.96 | 0.95 | 0.88 | 1.12 | 0.91 | 1.07 | 1.01 |
| Hemi-BMP(22:6/22:6)_18:0 | ME1215520 | 1.02 | 1.12 | 0.90 | 0.92 | 1.07 | 1.13 | 0.86 | 0.99 | 0.97 |
| BMP(22:6/22:6) | ME1215493 | 0.99 | 1.03 | 0.94 | 1.00 | 1.00 | 1.08 | 0.94 | 1.03 | 0.99 |
| Hemi-BMP(22:6/22:6)_18:1 | ME1215521 | 0.96 | 1.08 | 0.92 | 0.96 | 1.02 | 1.06 | 0.95 | 1.03 | 1.02 |
| Hemi-BMP(22:6/22:6)_22:6 | ME1215522 | 0.99 | 1.07 | 0.93 | 0.98 | 1.00 | 1.08 | 0.91 | 1.01 | 1.03 |
| PS(16:0_18:1) | ME1215580 | 1.01 | 1.02 | 0.97 | 0.97 | 1.00 | 1.15 | 0.90 | 1.01 | 0.95 |
| PS(16:0_22:6) | ME1215582 | 0.98 | 1.02 | 0.98 | 0.96 | 0.98 | 1.13 | 0.97 | 0.99 | 0.98 |
| GD1a/b(d36:1) | ME1215504 | 1.02 | 1.10 | 1.16 | 1.09 | 0.91 | 0.89 | 0.95 | 1.03 | 0.76 |
| CL(14:0/14:0/14:0/14:0) | ME1215495 | 1.00 | 0.97 | 1.16 | 1.12 | 0.83 | 0.96 | 1.05 | 1.08 | 0.71 |
| GQ1b(d36:1) | ME1215510 | 0.98 | 1.01 | 1.21 | 1.15 | 0.86 | 0.88 | 0.98 | 1.13 | 0.66 |
| (3-O-sulfo)GalCer(d18:1/24:0) | ME1215476 | 1.00 | 0.92 | 0.94 | 1.00 | 1.07 | 1.26 | 1.04 | 1.01 | 0.60 |
| (3-O-sulfo)GalCer(d18:1/24:0(2OH)) | ME1215475 | 1.06 | 0.88 | 1.01 | 1.04 | 1.04 | 1.15 | 1.03 | 1.04 | 0.59 |
| (3-O-sulfo)GalCer(d18:1/18:0(2OH) | ME1215472 | 1.06 | 1.02 | 1.08 | 1.05 | 1.05 | 1.10 | 0.91 | 1.00 | 0.56 |
| (3-O-sulfo)GalCer(d18:1/24:1(2OH)) | ME1215477 | 1.04 | 0.96 | 0.99 | 1.06 | 1.06 | 1.07 | 0.98 | 1.02 | 0.71 |
| EPA | ME1215502 | 0.89 | 0.85 | 0.60 | 0.58 | 1.01 | 2.29 | 0.84 | 0.94 | 1.03 |
| BMP(20:4/20:4) | ME1215492 | 1.01 | 0.96 | 0.90 | 0.78 | 1.04 | 1.71 | 0.82 | 0.79 | 0.99 |
| GM3(d34:1) | ME1215508 | 0.93 | 0.91 | 0.85 | 0.88 | 1.00 | 1.83 | 0.83 | 0.78 | 0.98 |
| BMP(16:0_18:1) | ME1215484 | 0.93 | 0.84 | 0.72 | 0.74 | 1.19 | 2.03 | 0.74 | 0.82 | 0.98 |
| BMP(16:0_20:4) | ME1215485 | 0.98 | 0.92 | 0.79 | 0.72 | 1.11 | 2.07 | 0.73 | 0.68 | 1.01 |
Factors:
| F1 | Sample source:Brain | SEX:Female | Genotype:PS19 | Treatment:OIL |
| F2 | Sample source:Brain | SEX:Female | Genotype:PS19 | Treatment:TAMOXIFEN |
| F3 | Sample source:Brain | SEX:Female | Genotype:WT | Treatment:OIL |
| F4 | Sample source:Brain | SEX:Female | Genotype:WT | Treatment:TAMOXIFEN |
| F5 | Sample source:Brain | SEX:Male | Genotype:PS19 | Treatment:OIL |
| F6 | Sample source:Brain | SEX:Male | Genotype:PS19 | Treatment:TAMOXIFEN |
| F7 | Sample source:Brain | SEX:Male | Genotype:WT | Treatment:OIL |
| F8 | Sample source:Brain | SEX:Male | Genotype:WT | Treatment:TAMOXIFEN |
| F9 | Sample source:Brain | SEX:NA | Genotype:NA | Treatment:NA |
