Clustering data with hclust algorithm for (Study ST000987)
(Analysis AN001613)| Metabolite | Structure | F1 | F2 | F3 | F4 | F5 | F6 | F7 | F8 | F9 |
|---|---|---|---|---|---|---|---|---|---|---|
| DG (36:3) [M+K]+ | ME244653 | 0.66 | 0.89 | 1.46 | 0.91 | 1.78 | 0.64 | 0.32 | 1.01 | 0.51 |
| PE (p-40:4) or PE (o-40:5) A [M+H]+ | ME244801 | NA | 0.89 | 0.97 | 0.61 | 0.90 | 2.92 | NA | 0.45 | NA |
| CE (16:0) [2M+Na]+ | ME244531 | 1.33 | 0.97 | 0.90 | 1.06 | 0.80 | 1.03 | 1.43 | 0.97 | 0.78 |
| CE (22:6) [M+Na]+ | ME244594 | 1.19 | 1.00 | 0.99 | 1.31 | 0.90 | 1.02 | 0.61 | 0.73 | 0.60 |
| PC (32:2) [M+H]+ | ME244707 | 0.93 | 1.01 | 1.10 | 1.01 | 1.00 | 1.04 | 0.56 | 1.03 | 0.84 |
| PE (38:4) [M+H]+ | ME244793 | 0.81 | 1.10 | 1.00 | 0.87 | 1.17 | 1.07 | 0.50 | 1.16 | 0.81 |
| PC (34:2) [M+H]+ | ME244713 | 0.89 | 1.06 | 1.09 | 0.97 | 1.03 | 1.03 | 0.81 | 1.07 | 0.78 |
| CE (18:3) [M+NH4]+ | ME244557 | 1.09 | 1.04 | 0.94 | 1.09 | 0.93 | 1.12 | 0.83 | 1.10 | 0.45 |
| LPC (16:0) [M+H]+ | ME244686 | 1.00 | 1.08 | 0.97 | 1.02 | 1.06 | 0.96 | 1.14 | 1.05 | 0.73 |
| PC (40:6) B [M+H]+ | ME244756 | 0.97 | 1.04 | 1.07 | 0.99 | 1.03 | 0.96 | 0.60 | 1.13 | 0.77 |
| CE (18:3) [M+Na]+ | ME244558 | 1.25 | 1.14 | 1.13 | 1.11 | 1.03 | 1.04 | 0.39 | 0.55 | 0.28 |
| PC (o-34:0) [M+H]+ | ME244762 | 0.93 | 1.35 | 0.97 | 1.08 | 0.13 | 1.68 | NA | 0.73 | 0.19 |
| Cer (d42:2) A [M+H]+ | ME244617 | 0.95 | 1.41 | 1.26 | 0.87 | 0.68 | 0.94 | 0.62 | 1.36 | NA |
| LPC (18:0) [M+H]+ | ME244688 | 1.04 | 1.08 | 0.97 | 1.06 | 1.00 | 0.97 | 1.15 | 1.03 | 0.68 |
| PC (p-38:6) or PC (o-38:7) [M+H]+ | ME244778 | 1.02 | 1.05 | 1.05 | 0.97 | 0.99 | 0.96 | 0.48 | 1.22 | 0.72 |
| SM (d40:1) [M+H]+ | ME244820 | 1.03 | 1.09 | 1.08 | 0.98 | 1.02 | 0.97 | 0.78 | 1.04 | 0.69 |
| 1_CE (22:1) [M+Chol-head -H2O+H]+ ISTD | ME244483 | 0.98 | 1.11 | 1.07 | 1.14 | 0.92 | 1.01 | 1.25 | 1.05 | 0.40 |
| PC (p-38:3) or PC (o-38:4) B [M+H]+ | ME244773 | 1.04 | 1.09 | 1.08 | 0.99 | 0.99 | 0.97 | 0.73 | 1.05 | 0.67 |
| CE (20:4) [M+Na]+ | ME244576 | 1.39 | 1.07 | 1.14 | 1.27 | 0.81 | 0.78 | 1.27 | 0.80 | 0.38 |
| 1_MG (17:0/0:0/0:0) [M+H]+ ISTD | ME244500 | 1.00 | 1.03 | 1.09 | 0.93 | 0.98 | 0.92 | 1.03 | 1.10 | 0.96 |
| SM (d42:1) [M+H]+ | ME244826 | 0.98 | 1.10 | 1.09 | 1.02 | 0.99 | 1.01 | 0.54 | 1.04 | 0.63 |
| 1_LPE (17:1) [M+H]+ ISTD | ME244499 | 1.00 | 1.06 | 1.05 | 0.99 | 1.00 | 0.98 | 1.01 | 1.03 | 0.82 |
| SM (d41:2) A [M+H]+ | ME244824 | 0.92 | 1.37 | 0.72 | 1.48 | 1.01 | 0.81 | NA | 1.40 | 0.28 |
| Cer (d42:1) [M+Na]+ | ME244616 | 0.96 | 1.03 | 1.19 | 0.93 | 0.96 | 0.96 | 0.83 | 1.04 | 0.93 |
| DG (36:5) [M+NH4]+ | ME244627 | 0.35 | 0.37 | 0.30 | 0.35 | 1.55 | 1.96 | 0.42 | 0.78 | 0.71 |
| CE (20:5) [Chol-head -H2O+H]+ | ME244586 | 1.01 | 1.10 | 1.05 | 0.95 | 1.17 | 1.19 | 0.19 | 0.73 | 0.55 |
| 1_Cer (d18:1/17:0) [M+H]+ ISTD | ME244487 | 1.02 | 1.05 | 1.07 | 1.03 | 0.99 | 0.96 | 1.03 | 1.00 | 0.75 |
| CE (18:3) [2M+Na]+ | ME244561 | 1.23 | 0.76 | 0.97 | 1.11 | 0.89 | 1.32 | NA | 0.83 | 0.57 |
| PC (35:2) B [M+H]+ | ME244720 | 0.93 | 1.09 | 1.11 | 0.93 | 1.06 | 1.05 | 0.51 | 1.04 | 0.70 |
| SM (d36:2) [M+H]+ | ME244814 | 1.00 | 1.05 | 1.08 | 0.97 | 1.02 | 1.00 | 0.74 | 1.07 | 0.69 |
| PC (p-38:5) or PC (o-38:6) B [M+H]+ | ME244777 | 1.03 | 1.12 | 1.09 | 0.92 | 0.95 | 1.03 | 0.78 | 1.12 | 0.62 |
| 1_Cer (d18:1/17:0) [M+H-H2O]+ ISTD | ME244488 | 1.00 | 1.06 | 1.08 | 0.95 | 0.97 | 0.92 | 1.06 | 1.00 | 1.05 |
| 1_CE (22:1) [2M+NH4]+ ISTD | ME244484 | 1.06 | 1.00 | 1.04 | 1.04 | 0.98 | 1.00 | 1.09 | 0.98 | 0.76 |
| PE (p-38:5) or PE (o-38:6) [M+H]+ | ME244800 | 0.89 | 0.95 | 0.99 | 1.08 | 1.08 | 1.07 | 0.87 | 1.09 | 0.73 |
| 1_DG (12:0/12:0/0:0) [M+NH4]+ ISTD | ME244492 | 1.02 | 1.05 | 1.05 | 0.99 | 1.00 | 0.98 | 1.00 | 1.02 | 0.78 |
| PC (37:4) [M+H]+ | ME244736 | 1.02 | 1.15 | 1.10 | 1.00 | 1.00 | 1.01 | 0.44 | 0.98 | 0.60 |
| 1_PC (12:0/13:0) [M+H]+ ISTD | ME244502 | 1.00 | 1.01 | 1.08 | 0.98 | 0.96 | 1.00 | 1.12 | 1.02 | 0.90 |
| PE (36:4) [M+H]+ | ME244792 | 1.00 | 1.23 | 1.02 | 0.91 | 1.06 | 0.94 | 0.20 | 1.13 | 0.65 |
| PC (p-40:3) or PC (o-40:4) [M+H]+ | ME244779 | 1.02 | 1.11 | 1.18 | 1.07 | 0.90 | 1.04 | 0.61 | 0.91 | 0.58 |
| Cer (d42:2) B [M+H]+ | ME244620 | 0.76 | 1.08 | 1.35 | 1.17 | 0.62 | 1.28 | 0.41 | 1.25 | 0.41 |
| PC (38:6) B [M+H]+ | ME244748 | 0.97 | 1.04 | 0.98 | 1.00 | 1.05 | 1.02 | 0.57 | 1.13 | 0.75 |
| CE (20:4) [M+NH4]+ | ME244575 | 1.16 | 1.07 | 1.09 | 1.09 | 0.93 | 0.90 | 0.95 | 0.97 | 0.62 |
| DG (34:1) [M+Na]+ | ME244658 | 0.81 | 1.22 | 1.14 | 0.84 | 0.95 | 1.08 | 0.59 | 1.18 | 0.79 |
| PC (38:4) A [M+H]+ | ME244742 | 0.94 | 1.28 | 0.95 | 1.04 | 0.95 | 1.03 | 0.43 | 0.95 | 0.81 |
| DG (36:3) [M+Na]+ | ME244652 | 0.79 | 1.19 | 1.20 | 0.87 | 1.00 | 1.04 | 0.57 | 1.09 | 0.79 |
| PC (p-42:4) or PC (o-42:5) [M+H]+ | ME244785 | 0.99 | 1.14 | 1.16 | 0.92 | 1.05 | 0.93 | 0.77 | 1.02 | 0.63 |
| 1_Cer (d18:1/17:0) [M+Na]+ ISTD | ME244489 | 1.02 | 1.02 | 1.03 | 1.03 | 0.98 | 0.98 | 1.07 | 1.02 | 0.84 |
| DG (32:1) [M+Na]+ | ME244646 | 1.08 | 0.48 | 1.61 | 0.94 | 0.60 | 1.95 | NA | 0.42 | 0.88 |
| PC (34:0) [M+H]+ | ME244711 | 1.02 | 1.04 | 1.01 | 0.99 | 1.01 | 1.03 | 0.57 | 1.07 | 0.74 |
| PE (p-36:2) or PE (o-36:3) [M+H]+ | ME244797 | 1.00 | 1.31 | 0.59 | 0.77 | 0.81 | 1.16 | NA | 1.02 | 0.79 |
| PC (33:1) [M+H]+ | ME244709 | 1.00 | 1.04 | 1.07 | 0.99 | 1.04 | 0.97 | 0.49 | 1.06 | 0.77 |
| CE (18:1) [M+NH4]+ | ME244545 | 1.15 | 1.01 | 1.02 | 1.11 | 0.95 | 1.01 | 1.00 | 0.93 | 0.62 |
| CE (18:2) [Chol-head -H2O+H]+ | ME244556 | 1.11 | 1.02 | 1.03 | 1.09 | 0.97 | 0.95 | 1.04 | 0.96 | 0.68 |
| 1_DG (18:1/2:0/0:0) [M+K]+ ISTD | ME244497 | 0.91 | 0.98 | 0.98 | 1.05 | 0.91 | 1.01 | 0.98 | 1.04 | 1.26 |
| DG (36:2) [M+Na]+ | ME244661 | 0.92 | 1.26 | 1.13 | 0.93 | 0.98 | 0.91 | 0.49 | 1.03 | 0.86 |
| DG (36:2) [M+NH4]+ | ME244660 | 0.87 | 1.28 | 1.24 | 0.87 | 0.91 | 0.88 | 0.55 | 1.16 | 0.81 |
| PE (p-38:4) or PE (o-38:5) [M+H]+ | ME244799 | 1.14 | 1.21 | 1.15 | 0.73 | 0.91 | 0.79 | 2.13 | 1.30 | 0.60 |
| PC (36:3) A [M+H]+ | ME244725 | 1.03 | 1.14 | 1.36 | 0.91 | 0.98 | 0.86 | 0.61 | 1.03 | 0.50 |
| PE (p-40:4) or PE (o-40:5) B [M+H]+ | ME244802 | 1.24 | 0.96 | 0.37 | 0.87 | 0.56 | 2.71 | NA | 1.08 | 0.23 |
| SM (d32:1) [M+H]+ | ME244806 | 1.01 | 1.06 | 1.09 | 0.97 | 1.02 | 1.01 | 0.56 | 1.00 | 0.76 |
| PC (34:3) A [M+H]+ | ME244714 | 0.98 | 1.08 | 1.24 | 0.98 | 1.09 | 0.95 | 0.40 | 1.05 | 0.42 |
| PC (p-38:5) or PC (o-38:6) A [M+H]+ | ME244776 | 0.95 | 1.04 | 1.03 | 1.02 | 1.01 | 1.01 | 0.72 | 1.16 | 0.68 |
| PC (36:1) [M+H]+ | ME244723 | 0.97 | 1.09 | 1.10 | 0.96 | 1.02 | 0.98 | 0.76 | 1.07 | 0.70 |
| CE (18:2) [2M+Na]+ | ME244555 | 1.14 | 1.05 | 1.01 | 1.11 | 0.95 | 1.01 | 1.08 | 0.89 | 0.60 |
| PC (38:5) A [M+H]+ | ME244745 | 1.00 | 1.07 | 1.08 | 1.00 | 1.03 | 1.02 | 0.73 | 1.03 | 0.59 |
| PC (p-36:4) or PC (o-36:5) [M+H]+ | ME244770 | 1.00 | 1.09 | 1.08 | 0.99 | 0.99 | 0.99 | 0.75 | 1.07 | 0.68 |
| 1_DG (12:0/12:0/0:0) [M+K]+ ISTD | ME244494 | 0.94 | 1.03 | 1.07 | 1.00 | 1.09 | 1.02 | 1.13 | 0.95 | 0.75 |
| Cer (d40:1) [M+H]+ | ME244608 | 0.93 | 1.19 | 1.08 | 0.90 | 0.94 | 0.95 | 0.78 | 1.02 | 1.02 |
| Cer (d41:1) [M+H]+ | ME244611 | 1.00 | 1.36 | 1.22 | 0.98 | 0.79 | 0.96 | 0.71 | 0.84 | 0.71 |
| 1_CE (22:1) [2M+Na]+ ISTD | ME244485 | 1.04 | 1.02 | 1.03 | 1.05 | 0.99 | 0.98 | 1.14 | 0.98 | 0.75 |
| PE (38:6) [M+H]+ | ME244794 | 1.08 | 1.07 | 0.82 | 1.04 | 1.11 | 0.98 | 0.30 | 1.30 | 0.44 |
| PC (36:2) [M+H]+ | ME244724 | 0.93 | 1.08 | 1.11 | 0.94 | 1.03 | 1.04 | 0.75 | 1.06 | 0.72 |
| Cholesterol [M-H2O+H]+ | ME244623 | 1.02 | 1.05 | 1.04 | 1.01 | 1.01 | 0.98 | 1.02 | 1.00 | 0.80 |
| PC (28:0) [M+H]+ | ME244701 | 0.59 | 0.75 | 1.42 | 0.55 | 1.10 | 1.68 | NA | 0.93 | 0.84 |
| PC (40:4) [M+H]+ | ME244752 | 0.97 | 1.08 | 1.03 | 0.95 | 1.00 | 1.02 | 1.11 | 1.05 | 0.83 |
| 1_CE (22:1) [M+NH4]+ ISTD | ME244481 | 1.05 | 1.03 | 1.04 | 1.05 | 0.98 | 0.98 | 1.09 | 0.98 | 0.77 |
| CE (16:1) [M+NH4]+ | ME244533 | 1.06 | 1.01 | 1.01 | 1.06 | 0.93 | 1.04 | 0.87 | 1.14 | 0.61 |
| 1_CE (22:1) [Chol-head -H2O+H]+ ISTD | ME244486 | 1.05 | 1.02 | 1.01 | 1.04 | 0.99 | 0.97 | 1.09 | 1.00 | 0.82 |
| 1_CE (22:1) [M+Na]+ ISTD | ME244482 | 1.11 | 1.03 | 1.02 | 0.97 | 1.00 | 0.97 | 1.18 | 0.98 | 0.82 |
| SM (d33:1) [M+H]+ | ME244808 | 1.00 | 1.04 | 1.08 | 1.00 | 1.01 | 1.01 | 0.64 | 1.05 | 0.72 |
| DG (34:1) [M+NH4]+ | ME244657 | 0.69 | 1.41 | 1.22 | 1.13 | 0.89 | 1.03 | 0.14 | 0.84 | 0.54 |
| PC (p-42:5) or PC (o-42:6) A [M+H]+ | ME244786 | 1.13 | 0.99 | 0.98 | 0.98 | 1.08 | 1.07 | 1.27 | 0.78 | 0.61 |
| DG (36:4) A [M+NH4]+ | ME244636 | 0.68 | 1.17 | 1.35 | 0.73 | 1.13 | 1.14 | 0.45 | 0.86 | 0.98 |
| PC (33:0) [M+H]+ | ME244708 | 1.16 | 1.02 | 1.26 | 0.82 | 1.00 | 1.00 | 0.37 | 1.02 | 0.60 |
| PC (p-32:1) or PC (o-32:2) [M+H]+ | ME244763 | 0.98 | 0.95 | 1.06 | 1.09 | 1.18 | 1.02 | 0.79 | 0.78 | 0.46 |
| PC (40:7) A [M+H]+ | ME244757 | 1.08 | 1.14 | 1.17 | 1.09 | 0.90 | 0.86 | 0.76 | 0.92 | 0.73 |
| PC (40:7) B [M+H]+ | ME244758 | 1.01 | 1.12 | 1.09 | 0.96 | 1.02 | 1.02 | 0.58 | 1.03 | 0.60 |
| CE (18:1) [M+Chol-head -H2O+H]+ | ME244547 | 1.13 | 1.00 | 0.93 | 1.21 | 0.83 | 1.02 | 0.67 | 1.16 | 0.57 |
| LPE (22:3) [M+H]+ | ME244699 | 1.05 | 0.95 | 0.95 | 0.88 | 0.91 | 0.81 | 0.79 | 1.05 | 1.94 |
| 1_CUDA [M+H]+ ISTD | ME244491 | 1.02 | 1.03 | 1.04 | 1.02 | 1.02 | 0.98 | 1.04 | 0.98 | 0.80 |
| PC (o-32:0) [M+H]+ | ME244761 | 0.99 | 1.09 | 1.04 | 1.07 | 1.03 | 1.00 | 0.81 | 1.05 | 0.51 |
| PE (p-36:4) or PE (o-36:5) [M+H]+ | ME244798 | 0.92 | 1.07 | 1.08 | 0.96 | 1.04 | 1.02 | 0.64 | 1.25 | 0.53 |
| SM (d40:2) A [M+H]+ | ME244821 | 0.89 | 0.97 | 0.65 | 1.11 | 1.10 | 1.14 | 0.39 | 1.37 | 0.81 |
| PC (p-38:4) or PC (o-38:5) A [M+H]+ | ME244774 | 1.04 | 1.06 | 1.05 | 1.01 | 1.01 | 1.03 | 0.71 | 1.01 | 0.64 |
| SM (d40:2) B [M+H]+ | ME244822 | 1.02 | 1.10 | 1.09 | 0.97 | 1.00 | 0.96 | 0.75 | 1.04 | 0.72 |
| Hex2Cer (d34:1) [M-H2O+H]+ | ME244673 | 2.36 | 0.42 | 0.46 | 0.17 | NA | 0.23 | NA | NA | NA |
| 1_TG d5 (17:0/17:1/17:0) ISTD [M+NH4]+ | ME244506 | 1.02 | 1.04 | 1.06 | 1.05 | 1.02 | 0.95 | 1.05 | 0.94 | 0.80 |
| LPC (16:1) [M+H]+ | ME244687 | 1.10 | 0.88 | 0.87 | 1.09 | 1.16 | 0.89 | 1.57 | 1.06 | 0.79 |
| SM (d32:2) [M+H]+ | ME244807 | 0.88 | 1.11 | 0.99 | 1.03 | 1.07 | 1.16 | 0.80 | 0.83 | 0.79 |
| DG (34:2) [M+Na]+ | ME244649 | 0.83 | 1.29 | 0.99 | 0.72 | 1.05 | 0.97 | 0.83 | 1.10 | 1.23 |
| PC (40:6) A [M+H]+ | ME244755 | 0.97 | 1.12 | 1.09 | 0.99 | 0.83 | 1.15 | 1.04 | 0.82 | 0.97 |
| PE (36:2) [M+H]+ | ME244791 | 0.55 | 1.41 | 1.19 | 0.60 | 1.30 | 1.08 | 0.55 | 1.10 | 0.68 |
| SM (d34:1) [M+H]+ | ME244810 | 0.99 | 1.08 | 1.07 | 0.98 | 1.00 | 1.01 | 0.80 | 1.07 | 0.70 |
| PC (p-38:3) or PC (o-38:4) A [M+H]+ | ME244772 | 0.80 | 1.33 | 1.48 | 0.90 | 0.64 | 0.98 | 0.46 | 1.08 | 0.79 |
| PC (p-36:5) or PC (o-36:6) [M+H]+ | ME244771 | 1.06 | 1.07 | 0.84 | 1.10 | 1.11 | 0.97 | 0.42 | 1.27 | 0.37 |
| PC (p-44:4) or PC (o-44:5) [M+H]+ | ME244788 | 0.94 | 1.08 | 1.08 | 0.96 | 1.09 | 1.00 | 0.63 | 1.03 | 0.73 |
| SM (d40:0) [M+H]+ | ME244819 | 1.06 | 1.05 | 0.95 | 1.01 | 1.11 | 1.06 | 0.56 | 0.87 | 0.75 |
| CE (20:4) [2M+NH4]+ | ME244578 | 1.14 | 1.07 | 1.09 | 1.11 | 0.96 | 0.91 | 0.75 | 0.95 | 0.57 |
| CE (20:4) [2M+Na]+ | ME244579 | 1.29 | 1.06 | 1.06 | 1.24 | 0.83 | 0.84 | 1.23 | 0.86 | 0.55 |
| PC (39:4) [M+H]+ | ME244751 | 0.59 | 2.89 | 0.69 | 0.85 | 0.42 | 0.44 | NA | 0.59 | 0.32 |
| PC (40:5) B [M+H]+ | ME244754 | 0.99 | 1.04 | 1.08 | 0.94 | 0.96 | 0.99 | 1.00 | 1.05 | 0.94 |
| PC (40:8) [M+H]+ | ME244759 | 1.07 | 0.95 | 1.17 | 0.97 | 1.02 | 0.93 | 0.53 | 1.06 | 0.80 |
| CE (16:0) [Chol-head -H2O+H]+ | ME244532 | 1.15 | 1.01 | 1.02 | 1.08 | 0.95 | 0.98 | 1.00 | 0.94 | 0.71 |
| 1_Sphingosine (d17:1) [M+H]+ ISTD | ME244505 | 1.06 | 1.06 | 1.03 | 0.99 | 1.01 | 0.98 | 1.06 | 0.95 | 0.78 |
| PC (35:2) A [M+H]+ | ME244719 | 0.83 | 1.60 | 1.04 | 0.97 | 0.78 | 1.23 | 0.14 | 0.91 | 0.37 |
| PC (36:6) [M+H]+ | ME244734 | 0.78 | 1.14 | 0.98 | 0.96 | 1.08 | 1.08 | 0.73 | 0.92 | 1.13 |
| SM (d39:1) [M+H]+ | ME244818 | 1.01 | 1.09 | 1.07 | 0.98 | 1.00 | 1.03 | 0.48 | 1.01 | 0.72 |
| PC (p-34:1) or PC (o-34:2) [M+H]+ | ME244765 | 0.95 | 1.04 | 1.01 | 1.02 | 1.06 | 1.05 | 0.93 | 1.09 | 0.61 |
| PC (38:7) [M+H]+ | ME244750 | 0.90 | 1.21 | 1.21 | 0.99 | 1.06 | 1.11 | 0.30 | 0.73 | 0.55 |
| PC (p-36:2) or PC (o-36:3) [M+H]+ | ME244769 | 0.90 | 1.02 | 1.05 | 0.95 | 1.09 | 1.02 | 0.67 | 1.09 | 0.86 |
| CE (18:1) [2M+Na]+ | ME244549 | 1.27 | 0.90 | 1.01 | 1.12 | 0.93 | 1.03 | 1.32 | 0.92 | 0.51 |
| CE (18:3) [2M+NH4]+ | ME244560 | 1.13 | 0.65 | 1.18 | 0.37 | 1.49 | 0.97 | NA | NA | 0.24 |
| CE (22:6) [M+NH4]+ | ME244593 | 1.01 | 1.10 | 1.07 | 0.96 | 1.04 | 0.98 | 0.57 | 1.07 | 0.67 |
| CE (16:0) [2M+NH4]+ | ME244530 | 1.16 | 0.98 | 0.99 | 1.12 | 0.91 | 1.02 | 0.90 | 0.99 | 0.66 |
| CE (20:5) [2M+Na]+ | ME244585 | NA | 0.84 | 0.45 | 0.97 | 2.48 | 1.92 | NA | NA | NA |
| PC (36:5) D [M+H]+ | ME244733 | 0.90 | 1.00 | 0.97 | 1.04 | 1.07 | 1.05 | 0.64 | 1.18 | 0.70 |
| PC (p-40:4) or PC (o-40:5) [M+H]+ | ME244780 | 1.03 | 1.01 | 1.07 | 1.04 | 1.01 | 1.05 | 0.70 | 1.07 | 0.50 |
| PC (38:2) [M+H]+ | ME244740 | 0.93 | 1.12 | 1.03 | 0.90 | 0.99 | 1.01 | 1.13 | 1.06 | 0.93 |
| PC (38:5) B [M+H]+ | ME244746 | 0.95 | 1.01 | 1.04 | 0.99 | 1.06 | 1.06 | 0.81 | 1.14 | 0.58 |
| Cer (d42:2) B [M+Na]+ | ME244622 | 1.23 | 1.55 | 0.81 | 0.75 | 0.83 | 0.81 | NA | 1.02 | 0.51 |
| LPC (18:2) [M+H]+ | ME244690 | 0.91 | 1.11 | 1.00 | 1.00 | 1.10 | 1.03 | 0.67 | 1.05 | 0.66 |
| PC (38:3) [M+H]+ | ME244741 | 0.97 | 1.03 | 1.08 | 0.96 | 1.00 | 1.02 | 0.77 | 1.05 | 0.86 |
| 1_SM (d18:1/17:0) [M+H]+ ISTD | ME244504 | 1.03 | 1.06 | 1.03 | 1.02 | 0.99 | 0.98 | 0.89 | 1.02 | 0.81 |
| CE (22:2) [Chol-head -H2O+H]+ | ME244592 | 1.00 | 1.13 | 1.19 | 1.07 | 0.97 | 0.87 | 1.40 | 0.99 | 0.57 |
| PC (34:1) [M+H]+ | ME244712 | 0.98 | 1.06 | 1.06 | 0.99 | 1.01 | 1.00 | 0.81 | 1.06 | 0.74 |
| PC (34:3) B [M+H]+ | ME244715 | 1.00 | 1.09 | 1.06 | 1.00 | 1.00 | 0.93 | 0.74 | 1.09 | 0.78 |
| PC (36:4) B [M+H]+ | ME244728 | 0.83 | 0.93 | 0.84 | 0.85 | 1.01 | 1.25 | 0.92 | 1.31 | 1.12 |
| CE (18:2) [M+Na]+ | ME244552 | 1.24 | 0.98 | 1.02 | 1.17 | 0.98 | 0.97 | 1.20 | 0.85 | 0.44 |
| 1_DG (12:0/12:0/0:0) [M+Na]+ ISTD | ME244493 | 1.01 | 1.03 | 1.02 | 1.01 | 1.00 | 1.00 | 1.08 | 1.01 | 0.83 |
| PC (35:4) [M+H]+ | ME244722 | 0.99 | 1.11 | 1.15 | 0.96 | 0.98 | 1.00 | 0.43 | 1.03 | 0.70 |
| PC (37:5) [M+H]+ | ME244737 | 0.96 | 1.06 | 1.06 | 0.96 | 1.08 | 1.18 | 0.60 | 0.93 | 0.51 |
| PC (38:4) C [M+H]+ | ME244744 | 1.00 | 1.07 | 1.07 | 0.98 | 1.01 | 1.00 | 0.82 | 1.00 | 0.76 |
| PC (p-40:6) or PC (o-40:7) B [M+H]+ | ME244783 | 1.04 | 0.91 | 0.81 | 1.12 | 1.17 | 1.17 | 0.32 | 0.98 | 0.64 |
| DG (36:3) [M+NH4]+ | ME244651 | 0.78 | 1.17 | 1.25 | 0.80 | 1.01 | 1.04 | 0.57 | 1.04 | 0.93 |
| LPC (20:3) [M+H]+ | ME244692 | 1.09 | 1.10 | 0.97 | 1.07 | 0.97 | 0.85 | 0.75 | 1.20 | 0.66 |
| PC (34:4) [M+H]+ | ME244717 | 0.88 | 1.05 | 1.10 | 0.85 | 0.99 | 1.07 | 0.56 | 1.03 | 1.20 |
| PC (36:5) A [M+H]+ | ME244730 | 0.97 | 1.11 | 1.22 | 1.44 | 0.68 | 0.73 | 0.59 | 1.03 | 0.67 |
| CE (18:2) [M+NH4]+ | ME244551 | 1.15 | 1.05 | 1.04 | 1.06 | 0.96 | 0.96 | 1.02 | 0.95 | 0.62 |
| PC (32:0) [M+H]+ | ME244705 | 0.99 | 1.07 | 1.05 | 1.00 | 0.97 | 1.06 | 0.79 | 1.07 | 0.65 |
| PC (36:4) A [M+H]+ | ME244727 | 0.90 | 1.03 | 1.11 | 0.99 | 1.06 | 1.07 | 0.63 | 0.99 | 0.76 |
| CE (18:3) [Chol-head -H2O+H]+ | ME244562 | 0.82 | 1.00 | 1.11 | 1.14 | 0.98 | 1.05 | 0.41 | 1.08 | 0.77 |
| Hex2Cer (d34:1) [M+H]+ | ME244672 | 1.00 | 1.06 | 1.06 | 0.98 | 1.00 | 1.00 | 0.85 | 1.06 | 0.73 |
| Cer (d42:2) A [M+Na]+ | ME244619 | 1.06 | 1.07 | 1.13 | 0.91 | 0.99 | 1.01 | 0.65 | 1.07 | 0.69 |
| CE (20:3) [M+NH4]+ | ME244569 | 1.31 | 0.85 | 0.95 | 1.23 | 0.95 | 0.97 | 1.44 | 0.79 | 0.69 |
| Hex2Cer (d34:1) [M+Na]+ | ME244674 | 1.11 | 1.12 | 0.98 | 1.07 | 1.23 | 0.92 | 0.66 | 0.85 | 0.43 |
| PC (p-34:2) or PC (o-34:3) [M+H]+ | ME244766 | 0.96 | 1.08 | 1.07 | 0.94 | 1.04 | 1.04 | 0.71 | 1.09 | 0.64 |
| PC (37:6) [M+H]+ | ME244738 | 0.96 | 0.97 | 1.11 | 0.78 | 0.93 | 1.09 | 0.40 | 1.22 | 1.14 |
| PC (30:0) [M+H]+ | ME244702 | 1.03 | 1.04 | 1.07 | 1.00 | 0.98 | 1.01 | 0.65 | 1.01 | 0.78 |
| PC (31:0) [M+H]+ | ME244703 | 1.08 | 1.13 | 1.05 | 1.06 | 1.00 | 0.93 | 0.59 | 1.04 | 0.54 |
| PC (36:3) B [M+H]+ | ME244726 | 0.97 | 1.09 | 1.08 | 0.94 | 1.01 | 1.05 | 0.65 | 1.00 | 0.79 |
| SM (d41:1) [M+H]+ | ME244823 | 0.98 | 1.08 | 1.05 | 1.02 | 1.02 | 1.00 | 0.78 | 1.06 | 0.66 |
| PC (p-36:1) or PC (o-36:2) A [M+H]+ | ME244767 | 1.01 | 1.28 | 1.07 | 0.95 | 1.04 | 0.90 | 1.00 | 1.14 | 0.32 |
| CE (20:5) [M+Na]+ | ME244582 | 1.57 | 1.21 | 0.79 | 1.38 | 1.26 | 0.79 | 0.63 | 0.34 | 0.28 |
| PC (p-38:4) or PC (o-38:5) B [M+H]+ | ME244775 | 1.06 | 1.11 | 1.12 | 0.95 | 1.03 | 0.99 | 0.61 | 1.05 | 0.50 |
| SM (d36:3) [M+H]+ | ME244815 | 1.06 | 0.85 | 0.91 | 1.44 | 0.86 | 1.29 | 0.55 | 0.73 | 0.69 |
| CE (16:1) [2M+NH4]+ | ME244536 | 1.09 | 1.07 | 0.95 | 1.11 | 1.00 | 1.02 | 1.04 | 1.02 | 0.47 |
| PC (32:1) [M+H]+ | ME244706 | 0.95 | 1.02 | 1.01 | 1.01 | 1.02 | 0.99 | 1.01 | 1.13 | 0.79 |
| Cer (d42:1) [M+H]+ | ME244614 | 1.09 | 1.10 | 1.09 | 0.98 | 1.02 | 0.98 | 0.58 | 1.02 | 0.57 |
| 1_PE (17:0/17:0) [M+H]+ ISTD | ME244503 | 1.05 | 1.04 | 1.05 | 1.02 | 1.01 | 0.95 | 1.07 | 1.01 | 0.76 |
| SM (d34:2) [M+H]+ | ME244811 | 0.97 | 1.05 | 1.08 | 0.97 | 0.98 | 1.00 | 0.77 | 1.08 | 0.83 |
| CE (18:2) [2M+NH4]+ | ME244554 | 1.16 | 1.03 | 1.06 | 1.11 | 0.95 | 0.98 | 0.94 | 0.92 | 0.57 |
| HexCer (d42:1) [M+H]+ | ME244678 | 0.96 | 1.44 | 0.72 | 1.03 | 0.91 | 1.21 | NA | 0.97 | 0.27 |
| 1_DG (18:1/2:0/0:0) [M+Na]+ ISTD | ME244496 | 1.01 | 1.03 | 1.04 | 1.01 | 0.98 | 0.98 | 0.98 | 1.04 | 0.84 |
| DG (38:6) [M+Na]+ | ME244631 | 1.17 | 1.35 | 1.24 | 1.05 | 0.72 | 0.88 | NA | 0.68 | 0.36 |
| CE (16:0) [M+NH4]+ | ME244527 | 1.08 | 0.91 | 0.99 | 1.11 | 0.96 | 1.03 | 1.22 | 0.88 | 0.97 |
| PC (p-40:6) or PC (o-40:7) A [M+H]+ | ME244782 | 0.98 | 1.03 | 1.10 | 0.99 | 1.04 | 0.95 | 0.53 | 1.11 | 0.73 |
| 1_Cholesterol d7 [M-H2O+H]+ ISTD | ME244490 | 0.96 | 0.96 | 1.06 | 1.12 | 0.86 | 1.07 | 1.30 | 0.97 | 0.92 |
| PC (40:5) A [M+H]+ | ME244753 | 0.97 | 1.03 | 1.02 | 0.99 | 1.03 | 1.02 | 0.83 | 1.07 | 0.79 |
| CE (20:5) [M+NH4]+ | ME244581 | 0.99 | 1.03 | 0.98 | 1.05 | 1.08 | 1.03 | 0.52 | 1.21 | 0.44 |
| SM (d38:1) [M+H]+ | ME244816 | 1.01 | 1.09 | 1.07 | 0.98 | 1.00 | 0.98 | 0.61 | 1.03 | 0.77 |
| CE (18:1) [2M+NH4]+ | ME244548 | 1.20 | 0.99 | 1.03 | 1.13 | 0.91 | 1.01 | 0.91 | 0.92 | 0.59 |
| SM (d38:2) [M+H]+ | ME244817 | 1.04 | 1.05 | 1.10 | 0.96 | 0.99 | 0.96 | 0.66 | 1.10 | 0.72 |
| 1_MG (17:0/0:0/0:0) [M+Na]+ ISTD | ME244501 | 1.07 | 1.10 | 1.04 | 0.99 | 1.01 | 0.89 | 1.04 | 0.96 | 0.86 |
| LPC (18:1) [M+H]+ | ME244689 | 1.06 | 1.08 | 0.97 | 1.11 | 1.03 | 0.93 | 0.83 | 1.02 | 0.65 |
| SM (d30:1) [M+H]+ | ME244804 | 0.89 | 1.03 | 1.69 | 0.76 | 1.29 | 0.86 | 0.23 | 0.69 | 0.63 |
| PC (36:4) C [M+H]+ | ME244729 | 0.97 | 1.06 | 1.08 | 0.97 | 1.01 | 1.00 | 0.79 | 1.07 | 0.76 |
| PC (36:5) C [M+H]+ | ME244732 | 0.94 | 0.88 | 0.91 | 0.97 | 1.19 | 1.35 | 0.79 | 0.97 | 0.40 |
| CE (20:4) [Chol-head -H2O+H]+ | ME244580 | 1.15 | 1.08 | 1.09 | 1.05 | 0.95 | 0.91 | 0.82 | 0.97 | 0.66 |
| 1_TG d5 (17:0/17:1/17:0) ISTD [M+Na]+ | ME244507 | 1.05 | 1.06 | 1.02 | 1.09 | 0.96 | 0.98 | 1.18 | 0.93 | 0.72 |
| CE (18:2) [M+Chol-head -H2O+H]+ | ME244553 | 1.08 | 1.11 | 1.12 | 1.09 | 1.03 | 1.03 | 1.21 | 0.63 | 0.59 |
| Cer (d41:1) [M+Na]+ | ME244613 | 0.98 | 1.21 | 1.02 | 0.99 | 1.09 | 0.79 | 0.43 | 0.94 | 1.13 |
| PC (33:2) [M+H]+ | ME244710 | 0.96 | 1.07 | 1.09 | 1.01 | 1.03 | 1.01 | 0.33 | 1.06 | 0.71 |
| PC (35:1) [M+H]+ | ME244718 | 1.05 | 1.14 | 1.13 | 0.95 | 0.99 | 1.01 | 0.56 | 0.95 | 0.63 |
| PC (p-40:5) or PC (o-40:6) [M+H]+ | ME244781 | 0.96 | 0.88 | 0.93 | 1.15 | 1.10 | 1.07 | 0.49 | 1.03 | 0.81 |
| SM (d36:0) [M+H]+ | ME244812 | 0.98 | 0.91 | 1.06 | 1.27 | 0.95 | 0.77 | 1.19 | 1.10 | 0.95 |
| SM (d41:2) B [M+H]+ | ME244825 | 0.92 | 1.07 | 1.12 | 1.01 | 1.05 | 0.98 | 0.48 | 1.08 | 0.67 |
| PC (35:3) [M+H]+ | ME244721 | 0.74 | 1.22 | 1.19 | 0.83 | 1.03 | 1.12 | 0.33 | 1.00 | 0.87 |
| SM (d36:1) [M+H]+ | ME244813 | 0.98 | 1.07 | 1.08 | 0.99 | 1.02 | 0.97 | 0.75 | 1.09 | 0.68 |
| SM (d34:0) [M+H]+ | ME244809 | 0.99 | 1.05 | 1.08 | 0.99 | 1.03 | 0.99 | 0.94 | 1.14 | 0.53 |
| SM (d42:3) [M+H]+ | ME244828 | 0.99 | 1.05 | 1.07 | 0.99 | 1.02 | 0.99 | 0.79 | 1.09 | 0.69 |
| SM (d42:2) [M+H]+ | ME244827 | 1.00 | 1.04 | 1.06 | 1.00 | 1.01 | 1.01 | 0.81 | 1.11 | 0.65 |
| 1_LPC (17:0) [M+H]+ ISTD | ME244498 | 1.02 | 1.03 | 1.02 | 1.00 | 1.01 | 0.98 | 1.02 | 1.01 | 0.86 |
| DG (34:2) [M+NH4]+ | ME244648 | 0.96 | 1.31 | 1.23 | 0.34 | 1.26 | 1.46 | NA | 0.41 | 0.92 |
| 1_DG (18:1/2:0/0:0) [M+NH4]+ ISTD | ME244495 | 1.01 | 1.05 | 1.04 | 1.01 | 1.00 | 1.00 | 1.06 | 1.01 | 0.76 |
| PC (37:2) [M+H]+ | ME244735 | 0.75 | 1.00 | 1.20 | 0.86 | 0.85 | 1.13 | 0.68 | 1.25 | 1.12 |
| PC (38:6) A [M+H]+ | ME244747 | 1.00 | 1.07 | 1.05 | 1.00 | 1.00 | 1.01 | 0.68 | 1.00 | 0.79 |
| PC (38:4) B [M+H]+ | ME244743 | 0.96 | 1.08 | 1.11 | 0.93 | 0.95 | 0.97 | 0.96 | 1.10 | 0.87 |
| PC (38:6) C [M+H]+ | ME244749 | 0.97 | 1.11 | 1.13 | 0.90 | 1.05 | 1.09 | 0.53 | 0.97 | 0.63 |
| LPC (20:4) [M+H]+ | ME244693 | 1.10 | 1.04 | 0.91 | 1.10 | 1.03 | 0.90 | 0.96 | 1.05 | 0.77 |
| PC (34:3) C [M+H]+ | ME244716 | 0.51 | 0.68 | 0.67 | 0.59 | 1.29 | 2.22 | 0.54 | 1.05 | 0.88 |
| DG (36:4) A [M+Na]+ | ME244637 | 0.47 | 1.14 | 1.31 | 1.08 | 0.66 | 1.61 | 0.13 | 0.73 | 0.53 |
| PC (38:1) [M+H]+ | ME244739 | 0.95 | 1.32 | 0.91 | 0.71 | 1.12 | 1.11 | 0.63 | 1.18 | 0.57 |
Factors:
| F1 | Phenotype:CF | Collection Time (hours):0-h |
| F2 | Phenotype:CF | Collection Time (hours):2-h |
| F3 | Phenotype:CF | Collection Time (hours):4-h |
| F4 | Phenotype:GF | Collection Time (hours):0-h |
| F5 | Phenotype:GF | Collection Time (hours):2-h |
| F6 | Phenotype:GF | Collection Time (hours):4-h |
| F7 | Phenotype:NIST | Collection Time (hours):NIST |
| F8 | Phenotype:QC | Collection Time (hours):QC |
| F9 | Phenotype:Rep | Collection Time (hours):Rep |