Clustering data with hclust algorithm for Metabolic responses to PD1 immune-checkpoint blockade and association with therapeutic benefits - Part II (Study ST001236)
HILIC POSITIVE ION MODE (Analysis AN002054)| Metabolite | Structure | F1 | F2 | F3 | F4 | F5 | F6 | F7 | F8 | F9 | F10 | F11 | F12 | F13 | F14 | F15 | F16 | F17 | F18 |
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| atenolol | ME291737 | 1.57 | 0.76 | 0.64 | NA | 1.08 | 0.52 | 1.95 | 0.62 | NA | 0.52 | 1.18 | 0.48 | 1.43 | 0.56 | 0.54 | 0.52 | 1.48 | NA |
| allopurinol riboside | ME291621 | 1.12 | 0.87 | 0.91 | 0.61 | 1.12 | 1.19 | 0.99 | 0.81 | 1.01 | 0.69 | 1.39 | 1.48 | 1.33 | 1.04 | 0.85 | 0.78 | 1.10 | 2.54 |
| metoprolol | ME291740 | 0.49 | 0.84 | 1.33 | 1.27 | 1.73 | 0.71 | 0.47 | 0.84 | 1.18 | 0.98 | 1.55 | 0.40 | 0.20 | 0.80 | 1.31 | 0.95 | 1.52 | 0.67 |
| valsartan | ME291743 | 0.98 | 1.04 | 0.76 | 0.83 | 1.41 | 1.04 | 0.95 | 1.08 | 0.27 | 0.57 | 1.32 | 1.04 | 1.29 | 1.10 | 0.55 | 1.08 | 1.22 | 0.98 |
| Kyn/Trp | ME291599 | 0.94 | 0.91 | 0.92 | 0.92 | 0.87 | 0.91 | 1.08 | 1.08 | 1.06 | 1.13 | 1.01 | 0.85 | 1.18 | 0.89 | 1.12 | 1.70 | 1.00 | 0.83 |
| Kynurenine_μM | ME291597 | 1.03 | 0.92 | 0.94 | 0.90 | 0.84 | 0.79 | 1.10 | 1.08 | 1.15 | 1.16 | 0.93 | 0.88 | 1.24 | 1.04 | 1.10 | 1.18 | 0.89 | 0.96 |
| metronidazole | ME291741 | 1.02 | 0.86 | 1.00 | 1.25 | 0.96 | 1.00 | 0.95 | 1.00 | 1.01 | 1.24 | 1.00 | 0.91 | 1.00 | 1.07 | 0.94 | 1.27 | 0.81 | 1.00 |
| 3-(N-acetyl-L-cystein-S-yl) acetaminophen | ME291736 | 0.91 | 0.82 | 0.96 | 1.05 | 1.23 | 0.99 | 0.99 | 1.01 | 1.13 | 1.09 | 1.15 | 0.59 | 1.01 | 0.83 | 1.04 | 1.05 | 1.08 | 0.98 |
| acetaminophen | ME291734 | 0.97 | 0.90 | 1.01 | 0.97 | 1.14 | 1.10 | 1.03 | 0.91 | 1.08 | 1.03 | 1.08 | 0.80 | 1.02 | 0.98 | 1.06 | 1.03 | 1.07 | 0.89 |
| acetaminophen glucuronide | ME291735 | 1.02 | 0.84 | 1.00 | 1.02 | 1.17 | 0.98 | 0.96 | 0.99 | 1.07 | 1.01 | 1.06 | 0.73 | 1.04 | 0.94 | 1.05 | 1.00 | 1.00 | 0.88 |
| metformin | ME291739 | 0.94 | 1.05 | 1.02 | 0.94 | 0.94 | 1.08 | 0.94 | 1.04 | 1.01 | 0.94 | 0.95 | 1.10 | 0.94 | 1.04 | 0.98 | 0.95 | 0.95 | 1.17 |
| cotinine | ME291729 | 0.98 | 0.97 | 1.05 | 0.96 | 0.97 | 1.21 | 0.91 | 1.01 | 0.98 | 1.01 | 1.03 | 1.20 | 0.88 | 0.96 | 1.08 | 0.87 | 0.99 | 1.06 |
| hydroxycotinine | ME291731 | 1.00 | 0.98 | 0.98 | 1.00 | 0.99 | 1.25 | 0.82 | 1.01 | 0.95 | 0.93 | 1.03 | 1.22 | 0.87 | 1.02 | 0.98 | 0.94 | 0.98 | 1.15 |
| urobilinogen | ME291726 | 1.11 | 0.95 | 0.96 | 1.11 | 1.03 | 1.11 | 0.99 | 0.98 | 1.10 | 0.97 | 0.98 | 0.94 | 1.04 | 0.93 | 0.97 | 1.11 | 0.93 | 1.16 |
| guanine | ME291671 | 1.05 | 1.01 | 1.05 | 0.84 | 0.91 | 0.87 | 1.06 | 1.03 | 0.94 | 0.96 | 0.99 | 1.04 | 1.17 | 1.08 | 1.01 | 0.97 | 0.97 | 0.93 |
| anthranilic acid | ME291623 | 0.98 | 0.98 | 0.94 | 0.91 | 1.06 | 0.96 | 0.96 | 0.96 | 1.00 | 0.98 | 1.06 | 1.23 | 1.04 | 1.02 | 0.98 | 1.04 | 1.06 | 0.98 |
| Tryptophan_μM | ME291598 | 1.07 | 0.97 | 0.97 | 0.96 | 0.94 | 0.81 | 1.03 | 1.01 | 1.10 | 0.97 | 1.03 | 0.98 | 1.03 | 1.09 | 1.03 | 0.86 | 0.98 | 1.06 |
| 1,7-dimethyluric acid | ME291604 | 1.08 | 0.93 | 1.04 | 1.02 | 1.08 | 0.93 | 1.02 | 0.98 | 0.96 | 0.91 | 1.04 | 0.86 | 1.07 | 1.06 | 0.96 | 0.96 | 1.04 | 0.98 |
| caffeine | ME291732 | 1.12 | 0.97 | 1.00 | 1.01 | 1.07 | 0.97 | 1.02 | 0.92 | 0.97 | 0.95 | 1.00 | 0.88 | 1.11 | 1.02 | 1.01 | 1.00 | 1.04 | 1.04 |
| linoleoyl ethanolamide | ME291681 | 0.93 | 1.01 | 0.99 | 1.01 | 1.02 | 0.96 | 1.03 | 1.01 | 1.09 | 1.02 | 1.03 | 0.90 | 0.90 | 1.01 | 1.03 | 0.90 | 1.07 | 0.93 |
| gabapentin | ME291738 | 1.06 | 0.99 | 1.03 | 1.00 | 0.96 | 0.96 | 1.05 | 0.98 | 0.96 | 0.95 | 1.00 | 0.95 | 1.08 | 1.04 | 0.95 | 0.95 | 1.02 | 1.15 |
| diacetylspermine | ME291662 | 0.96 | 0.96 | 1.00 | 1.03 | 1.04 | 1.05 | 0.95 | 0.97 | 1.00 | 1.09 | 1.07 | 0.99 | 0.95 | 0.96 | 0.99 | 1.07 | 1.01 | 1.00 |
| pantothenol | ME291705 | 0.99 | 0.98 | 0.96 | 1.04 | 1.01 | 1.03 | 1.01 | 1.00 | 1.01 | 0.94 | 1.05 | 1.02 | 0.99 | 1.00 | 1.02 | 0.98 | 1.04 | 0.87 |
| 5-hydroxytryptophan | ME291615 | 1.04 | 0.94 | 1.00 | 1.02 | 1.03 | 0.99 | 1.04 | 0.93 | 1.01 | 1.05 | 1.05 | 1.03 | 1.07 | 0.97 | 1.01 | 1.02 | 1.01 | 1.08 |
| serotonin | ME291715 | 1.05 | 0.94 | 1.00 | 1.01 | 1.01 | 1.00 | 1.04 | 0.95 | 1.02 | 1.05 | 1.05 | 1.04 | 1.06 | 0.96 | 1.02 | 1.01 | 1.01 | 1.08 |
| 5-hydroxytryptophol | ME291616 | 1.06 | 0.99 | 1.00 | 0.97 | 0.98 | 0.86 | 1.04 | 1.02 | 1.02 | 1.04 | 0.98 | 1.02 | 1.01 | 1.00 | 0.98 | 1.03 | 1.03 | 1.02 |
| glycodeoxycholate/glycochenodeoxycholate | ME291670 | 1.06 | 1.03 | 0.97 | 1.00 | 1.03 | 1.05 | 0.98 | 0.96 | 0.93 | 0.96 | 0.98 | 0.98 | 1.07 | 1.02 | 0.97 | 0.98 | 1.02 | 1.04 |
| C34:2 DAG | ME291776 | 0.97 | 1.01 | 1.02 | 0.94 | 1.01 | 0.95 | 0.96 | 1.04 | 1.01 | 0.95 | 1.00 | 0.93 | 0.97 | 1.06 | 1.00 | 0.91 | 1.02 | 0.99 |
| C20:4 carnitine | ME291652 | 1.07 | 0.99 | 0.99 | 1.05 | 0.97 | 0.98 | 1.02 | 1.00 | 1.00 | 1.05 | 1.03 | 0.98 | 0.95 | 0.97 | 0.93 | 1.02 | 1.02 | 1.03 |
| C9 carnitine | ME291641 | 1.04 | 0.97 | 0.97 | 0.98 | 0.98 | 0.94 | 1.06 | 1.04 | 0.98 | 1.01 | 1.03 | 0.92 | 1.03 | 1.00 | 1.01 | 0.95 | 1.02 | 0.95 |
| piperine | ME291708 | 0.97 | 1.00 | 1.04 | 0.97 | 0.99 | 0.94 | 1.02 | 0.99 | 1.06 | 0.94 | 0.99 | 0.90 | 1.04 | 1.04 | 1.06 | 1.04 | 0.97 | 0.93 |
| thiamine | ME291718 | 1.02 | 0.99 | 1.06 | 0.97 | 0.99 | 0.97 | 1.02 | 0.98 | 1.05 | 0.95 | 0.98 | 0.97 | 1.06 | 1.02 | 1.03 | 0.96 | 0.98 | 1.00 |
| 2-aminooctanoate | ME291608 | 1.01 | 0.98 | 1.08 | 0.95 | 0.99 | 0.98 | 0.99 | 0.98 | 1.04 | 0.98 | 0.96 | 0.97 | 1.02 | 1.02 | 1.10 | 0.99 | 1.00 | 0.98 |
| cotinine N-oxide | ME291730 | 1.01 | 0.99 | 1.04 | 1.00 | 0.98 | 0.95 | 1.02 | 0.97 | 1.04 | 1.01 | 0.96 | 0.93 | 1.04 | 1.02 | 1.07 | 0.99 | 1.02 | 0.97 |
| cortisone | ME291658 | 1.00 | 1.03 | 0.98 | 1.03 | 0.97 | 0.95 | 1.00 | 1.04 | 1.00 | 1.05 | 1.00 | 1.01 | 0.90 | 1.00 | 0.97 | 0.99 | 0.96 | 0.94 |
| cortisol | ME291657 | 0.99 | 1.01 | 0.99 | 1.01 | 1.00 | 0.93 | 1.01 | 1.02 | 1.01 | 1.05 | 1.03 | 0.95 | 0.95 | 0.99 | 0.99 | 1.01 | 1.00 | 0.99 |
| oleoyl glycine | ME291702 | 0.97 | 1.00 | 0.97 | 1.01 | 0.98 | 0.96 | 1.03 | 1.04 | 1.00 | 1.06 | 1.03 | 0.99 | 0.94 | 1.01 | 0.98 | 0.93 | 0.98 | 1.00 |
| adenosine | ME291600 | 1.02 | 0.99 | 1.02 | 0.98 | 0.99 | 1.01 | 0.98 | 0.99 | 1.04 | 0.98 | 1.00 | 0.99 | 1.05 | 1.01 | 1.02 | 0.96 | 1.00 | 0.95 |
| 8-hydroxy-deoxyguanosine | ME291618 | 1.02 | 0.98 | 0.99 | 0.95 | 0.97 | 0.98 | 1.01 | 1.03 | 1.05 | 0.98 | 1.05 | 1.03 | 1.05 | 1.00 | 1.03 | 0.93 | 0.97 | 0.92 |
| inosine | ME291601 | 1.01 | 0.99 | 1.00 | 0.96 | 0.99 | 0.99 | 1.00 | 1.02 | 1.03 | 0.99 | 1.02 | 1.02 | 1.02 | 1.01 | 1.01 | 0.94 | 0.97 | 0.93 |
| imidazole propionate | ME291677 | 1.00 | 0.97 | 0.97 | 1.03 | 1.02 | 1.03 | 0.99 | 0.97 | 0.98 | 1.05 | 1.03 | 0.99 | 1.03 | 0.99 | 1.00 | 1.03 | 1.02 | 0.99 |
| N-methylproline | ME291700 | 1.01 | 1.00 | 0.98 | 1.01 | 1.04 | 0.96 | 0.98 | 0.98 | 0.97 | 1.04 | 1.03 | 0.95 | 1.02 | 1.00 | 0.96 | 1.03 | 1.05 | 0.96 |
| proline-betaine | ME291710 | 0.99 | 0.98 | 1.01 | 1.00 | 1.02 | 0.96 | 0.99 | 0.99 | 1.01 | 1.05 | 1.04 | 0.95 | 0.99 | 0.98 | 1.00 | 1.04 | 1.04 | 0.96 |
| 4-hydroxyhippurate | ME291613 | 1.03 | 0.98 | 0.99 | 0.99 | 1.04 | 0.97 | 1.01 | 0.98 | 0.99 | 0.95 | 1.01 | 0.97 | 1.06 | 1.01 | 0.99 | 1.04 | 1.01 | 1.03 |
| trigonelline | ME291722 | 1.03 | 0.99 | 1.01 | 1.00 | 1.01 | 0.99 | 0.99 | 0.97 | 0.97 | 1.01 | 1.00 | 0.93 | 1.08 | 1.02 | 1.01 | 1.03 | 0.99 | 1.04 |
| ectoine | ME291665 | 0.97 | 1.01 | 1.04 | 0.99 | 0.98 | 0.93 | 0.97 | 1.01 | 1.03 | 1.00 | 1.00 | 0.94 | 0.99 | 1.02 | 1.00 | 1.01 | 1.03 | 1.02 |
| hypotaurine | ME291675 | 1.02 | 0.98 | 0.96 | 1.02 | 1.03 | 1.00 | 1.01 | 0.98 | 0.98 | 1.04 | 1.03 | 0.96 | 1.02 | 0.98 | 0.98 | 0.97 | 1.05 | 1.07 |
| DMGV | ME291664 | 1.03 | 0.97 | 1.02 | 1.02 | 1.03 | 0.98 | 1.01 | 0.96 | 1.03 | 1.02 | 1.03 | 0.95 | 1.02 | 0.96 | 1.02 | 1.02 | 1.03 | 1.02 |
| sphinganine | ME291716 | 1.01 | 0.97 | 1.00 | 1.01 | 1.00 | 0.98 | 1.02 | 0.98 | 1.01 | 1.02 | 1.02 | 0.98 | 1.01 | 0.99 | 1.01 | 1.00 | 1.05 | 1.06 |
| threo-sphingosine | ME291720 | 1.01 | 0.98 | 1.00 | 1.03 | 1.00 | 0.99 | 1.01 | 0.97 | 1.02 | 1.04 | 1.02 | 0.98 | 0.99 | 0.98 | 1.00 | 1.00 | 1.04 | 1.05 |
| 3-methylxanthine | ME291610 | 1.01 | 0.98 | 1.03 | 1.00 | 1.04 | 0.96 | 1.04 | 0.97 | 1.00 | 0.96 | 1.02 | 0.97 | 1.02 | 0.99 | 1.05 | 0.98 | 1.01 | 1.00 |
| 4-pyridoxate | ME291614 | 1.05 | 0.98 | 1.04 | 1.01 | 1.01 | 0.98 | 1.00 | 0.98 | 1.04 | 1.01 | 1.00 | 0.98 | 1.02 | 0.99 | 0.99 | 1.04 | 0.97 | 1.01 |
| cytosine | ME291661 | 1.06 | 0.99 | 1.02 | 1.00 | 1.01 | 0.96 | 1.01 | 0.98 | 1.01 | 0.98 | 1.00 | 0.97 | 1.04 | 1.00 | 1.02 | 0.99 | 0.99 | 1.03 |
| cinnamoylglycine | ME291655 | 1.00 | 1.00 | 1.00 | 1.00 | 1.01 | 0.94 | 0.98 | 1.00 | 1.00 | 1.03 | 1.01 | 0.92 | 1.00 | 1.02 | 1.01 | 1.00 | 1.00 | 1.01 |
| kynurenic acid | ME291678 | 1.03 | 1.00 | 1.00 | 0.99 | 0.98 | 0.95 | 1.02 | 1.01 | 1.02 | 1.02 | 0.99 | 0.96 | 1.01 | 1.01 | 1.00 | 0.98 | 1.00 | 0.98 |
| N-acetyltryptophan | ME291696 | 1.02 | 1.01 | 0.99 | 1.02 | 0.99 | 0.96 | 1.00 | 1.00 | 1.00 | 1.02 | 0.99 | 0.95 | 1.01 | 1.02 | 1.00 | 1.01 | 0.97 | 1.00 |
| N-alpha-acetylarginine | ME291697 | 1.01 | 0.99 | 1.02 | 1.00 | 0.98 | 0.94 | 1.00 | 1.00 | 1.02 | 1.02 | 0.98 | 0.95 | 1.03 | 1.03 | 1.01 | 1.02 | 0.97 | 0.99 |
| niacinamide | ME291699 | 1.00 | 1.00 | 1.02 | 0.99 | 1.00 | 0.98 | 1.01 | 1.01 | 0.98 | 0.98 | 0.98 | 0.96 | 0.97 | 1.02 | 0.98 | 1.01 | 1.02 | 1.04 |
| allantoin | ME291620 | 1.01 | 0.97 | 0.99 | 0.98 | 0.98 | 0.96 | 1.00 | 1.00 | 1.01 | 1.00 | 1.03 | 0.97 | 1.03 | 1.03 | 1.01 | 1.00 | 1.05 | 1.01 |
| C12 carnitine | ME291643 | 0.99 | 0.98 | 0.98 | 0.99 | 1.00 | 0.98 | 1.03 | 1.03 | 1.01 | 1.03 | 1.03 | 0.98 | 0.99 | 0.99 | 0.97 | 0.96 | 1.02 | 0.99 |
| C10 carnitine | ME291642 | 0.99 | 0.98 | 0.98 | 0.98 | 1.00 | 0.98 | 1.03 | 1.03 | 1.01 | 1.03 | 1.04 | 0.99 | 0.99 | 0.99 | 0.97 | 0.95 | 1.02 | 0.99 |
| C8 carnitine | ME291640 | 0.99 | 0.98 | 0.98 | 0.98 | 1.00 | 0.98 | 1.03 | 1.03 | 1.01 | 1.02 | 1.04 | 0.99 | 0.99 | 0.99 | 0.97 | 0.94 | 1.03 | 0.99 |
| C14:1 carnitine | ME291646 | 0.98 | 0.98 | 0.98 | 0.99 | 1.00 | 0.99 | 1.02 | 1.03 | 1.00 | 1.04 | 1.04 | 1.00 | 0.98 | 0.99 | 0.97 | 0.96 | 1.02 | 1.00 |
| C12:1 carnitine | ME291644 | 0.99 | 0.98 | 0.99 | 0.98 | 1.00 | 0.98 | 1.02 | 1.03 | 1.01 | 1.04 | 1.03 | 0.99 | 0.98 | 0.99 | 0.98 | 0.96 | 1.02 | 0.99 |
| C14:2 carnitine | ME291647 | 0.99 | 0.98 | 0.98 | 0.98 | 0.99 | 0.99 | 1.02 | 1.04 | 1.01 | 1.04 | 1.03 | 0.99 | 0.98 | 0.99 | 0.97 | 0.95 | 1.02 | 1.00 |
| C6 carnitine | ME291639 | 0.99 | 0.98 | 0.99 | 0.99 | 1.01 | 0.99 | 1.00 | 1.02 | 1.00 | 1.01 | 1.02 | 1.00 | 0.98 | 1.00 | 0.99 | 0.96 | 1.02 | 1.02 |
| C14 carnitine | ME291645 | 0.99 | 0.98 | 0.99 | 0.99 | 1.00 | 0.98 | 1.02 | 1.02 | 1.01 | 1.02 | 1.03 | 0.97 | 0.99 | 0.99 | 0.99 | 0.98 | 1.02 | 1.00 |
| C16 carnitine | ME291648 | 0.99 | 0.99 | 1.00 | 1.00 | 0.99 | 0.99 | 1.01 | 1.01 | 1.01 | 1.02 | 1.01 | 0.99 | 0.99 | 1.00 | 0.99 | 0.99 | 1.01 | 1.01 |
| C18:1 carnitine | ME291650 | 0.99 | 0.99 | 0.99 | 1.01 | 0.99 | 1.00 | 1.01 | 1.01 | 1.00 | 1.03 | 1.02 | 1.00 | 0.98 | 0.99 | 0.98 | 0.99 | 1.01 | 1.02 |
| C18:2 carnitine | ME291651 | 1.00 | 0.99 | 0.99 | 1.00 | 0.99 | 0.99 | 1.01 | 1.01 | 1.00 | 1.03 | 1.02 | 0.98 | 0.99 | 0.99 | 0.98 | 0.98 | 1.02 | 1.02 |
| C34:1 DAG* | ME291777 | 1.00 | 1.00 | 1.01 | 0.97 | 1.01 | 0.98 | 0.98 | 1.02 | 1.01 | 0.97 | 0.99 | 0.96 | 0.99 | 1.04 | 1.00 | 0.94 | 1.01 | 1.01 |
| creatine | ME291659 | 0.98 | 1.00 | 1.01 | 1.00 | 1.01 | 0.98 | 0.97 | 1.01 | 1.01 | 0.96 | 1.01 | 0.99 | 0.99 | 1.02 | 1.01 | 0.97 | 1.02 | 1.02 |
| C4-OH carnitine | ME291635 | 0.97 | 0.99 | 1.02 | 0.98 | 1.00 | 1.02 | 0.99 | 1.02 | 1.03 | 1.00 | 1.01 | 1.01 | 0.97 | 0.99 | 0.99 | 0.99 | 1.00 | 0.99 |
| C18:1 LPE | ME291760 | 1.00 | 1.00 | 1.01 | 1.00 | 0.99 | 1.00 | 0.98 | 0.98 | 1.02 | 0.98 | 0.99 | 0.98 | 1.02 | 1.02 | 1.03 | 1.00 | 0.99 | 1.04 |
| C18:2 LPE | ME291759 | 1.00 | 0.99 | 1.02 | 0.99 | 0.98 | 1.01 | 0.99 | 0.98 | 1.02 | 0.98 | 0.99 | 0.98 | 1.04 | 1.03 | 1.03 | 0.99 | 0.99 | 1.03 |
| 4-hydroxy-3-methylacetophenone | ME291612 | 1.01 | 0.98 | 1.03 | 0.95 | 0.98 | 1.01 | 1.00 | 0.99 | 1.02 | 0.96 | 0.99 | 0.98 | 1.04 | 1.02 | 1.05 | 1.01 | 1.01 | 1.00 |
| N-acetylleucine | ME291692 | 1.00 | 0.98 | 1.03 | 1.00 | 0.99 | 1.00 | 1.00 | 0.98 | 1.02 | 0.98 | 0.99 | 0.99 | 1.03 | 1.00 | 1.04 | 1.01 | 1.01 | 0.99 |
| urocanic acid | ME291727 | 1.02 | 0.99 | 1.00 | 1.00 | 1.01 | 0.97 | 1.02 | 0.99 | 1.01 | 0.98 | 0.98 | 0.98 | 1.02 | 1.01 | 1.00 | 1.03 | 1.03 | 0.99 |
| glutamate | ME291667 | 1.00 | 1.00 | 0.99 | 1.02 | 1.02 | 1.00 | 0.99 | 1.00 | 0.99 | 0.99 | 1.00 | 0.99 | 0.96 | 1.01 | 0.98 | 0.97 | 1.02 | 1.02 |
| xanthine | ME291728 | 1.01 | 1.00 | 0.99 | 0.99 | 1.01 | 1.00 | 1.02 | 1.00 | 0.98 | 1.00 | 1.01 | 1.00 | 1.00 | 1.00 | 0.98 | 0.98 | 1.01 | 1.05 |
| N-carbamoyl-beta-alanine | ME291698 | 0.98 | 0.99 | 0.97 | 1.00 | 1.01 | 1.01 | 0.97 | 1.00 | 0.99 | 1.04 | 1.03 | 1.00 | 0.99 | 1.00 | 0.98 | 1.03 | 1.01 | 0.98 |
| N-acetylputrescine | ME291695 | 1.00 | 0.98 | 1.00 | 1.02 | 1.02 | 1.01 | 0.99 | 0.99 | 1.00 | 1.03 | 1.02 | 1.02 | 1.00 | 0.99 | 0.99 | 1.03 | 1.00 | 1.01 |
| hippurate | ME291672 | 0.99 | 0.99 | 0.99 | 0.99 | 0.99 | 1.00 | 0.99 | 1.00 | 1.01 | 1.02 | 1.01 | 1.01 | 0.98 | 1.00 | 1.00 | 1.01 | 0.99 | 1.02 |
| N1-acetylspermidine | ME291685 | 1.00 | 0.99 | 1.00 | 1.01 | 1.00 | 1.01 | 1.00 | 1.00 | 1.01 | 1.02 | 1.01 | 1.01 | 0.99 | 0.99 | 0.99 | 1.01 | 0.99 | 1.00 |
| 1-methylnicotinamide | ME291607 | 0.98 | 0.98 | 1.01 | 0.99 | 0.99 | 0.94 | 1.00 | 1.01 | 1.04 | 1.01 | 1.00 | 1.01 | 1.00 | 1.02 | 1.03 | 1.01 | 1.00 | 0.98 |
| N1-methyl-2-pyridone-5-carboxamide | ME291686 | 1.01 | 0.98 | 1.02 | 0.99 | 1.00 | 0.95 | 1.00 | 1.00 | 1.02 | 1.01 | 1.00 | 0.99 | 1.01 | 1.00 | 1.02 | 0.99 | 1.00 | 0.99 |
| C34:4 PC | ME291767 | 1.00 | 1.00 | 1.01 | 0.98 | 1.01 | 0.95 | 1.00 | 1.00 | 1.01 | 0.96 | 1.01 | 0.98 | 1.01 | 1.02 | 1.02 | 0.96 | 1.01 | 0.99 |
| C4 carnitine | ME291634 | 1.00 | 1.00 | 1.00 | 0.99 | 1.00 | 0.97 | 1.00 | 1.01 | 1.00 | 0.99 | 1.02 | 0.98 | 1.01 | 1.01 | 1.00 | 0.97 | 1.02 | 1.00 |
| N-acetylornithine | ME291694 | 1.01 | 1.00 | 1.00 | 0.97 | 1.01 | 0.96 | 1.00 | 0.99 | 1.02 | 1.00 | 1.01 | 0.99 | 1.02 | 1.01 | 1.01 | 0.97 | 1.01 | 1.02 |
| C18 carnitine | ME291649 | 0.99 | 0.98 | 0.98 | 1.00 | 0.99 | 0.99 | 1.03 | 1.01 | 1.01 | 1.01 | 1.00 | 1.00 | 1.02 | 1.00 | 1.01 | 0.98 | 1.01 | 1.02 |
| C26 carnitine | ME291653 | 1.01 | 0.99 | 0.99 | 0.99 | 0.99 | 0.99 | 1.00 | 1.00 | 1.02 | 1.00 | 1.00 | 0.99 | 1.01 | 1.02 | 1.01 | 0.98 | 1.01 | 0.97 |
| bilirubin | ME291627 | 1.01 | 0.99 | 1.00 | 1.01 | 0.98 | 1.00 | 1.01 | 1.01 | 1.01 | 1.01 | 1.00 | 1.01 | 1.01 | 1.01 | 1.00 | 0.97 | 0.97 | 0.99 |
| biliverdin | ME291628 | 1.01 | 1.00 | 1.00 | 1.00 | 0.98 | 0.99 | 1.01 | 1.01 | 1.01 | 1.01 | 1.00 | 1.00 | 1.01 | 1.01 | 1.00 | 0.98 | 0.99 | 0.97 |
| GABA | ME291666 | 1.00 | 1.01 | 0.99 | 0.99 | 0.98 | 1.00 | 1.00 | 1.02 | 1.00 | 0.99 | 0.99 | 1.00 | 1.00 | 1.02 | 0.98 | 0.97 | 0.99 | 1.00 |
| NMMA | ME291701 | 1.00 | 1.00 | 1.00 | 1.00 | 0.99 | 0.99 | 0.99 | 1.01 | 1.01 | 0.99 | 0.98 | 1.00 | 1.02 | 1.02 | 1.00 | 0.98 | 0.99 | 1.01 |
| 3-methylhistidine | ME291609 | 0.98 | 1.01 | 1.00 | 0.98 | 1.01 | 0.97 | 0.99 | 1.00 | 1.01 | 1.00 | 1.01 | 0.99 | 0.99 | 1.01 | 0.99 | 0.98 | 1.01 | 1.01 |
| C22:6 LPE | ME291764 | 0.98 | 1.00 | 1.00 | 0.99 | 1.00 | 1.00 | 0.98 | 1.00 | 1.01 | 1.00 | 1.01 | 0.99 | 0.99 | 1.01 | 1.01 | 0.97 | 1.00 | 1.02 |
| C14:0 LPC | ME291745 | 1.00 | 1.00 | 1.01 | 0.99 | 1.00 | 0.97 | 1.00 | 0.99 | 1.02 | 0.97 | 1.00 | 0.98 | 1.02 | 1.02 | 1.03 | 0.98 | 1.01 | 1.01 |
| C16:1 LPC plasmalogen | ME291755 | 0.99 | 0.99 | 1.00 | 0.99 | 0.99 | 0.97 | 1.00 | 1.00 | 1.02 | 0.99 | 1.00 | 0.98 | 1.01 | 1.02 | 1.02 | 0.98 | 1.01 | 1.00 |
| C18:1 LPC plasmalogen_B | ME291757 | 0.99 | 1.00 | 1.00 | 0.98 | 0.98 | 0.97 | 1.00 | 1.00 | 1.02 | 0.98 | 0.99 | 0.97 | 1.02 | 1.03 | 1.02 | 0.96 | 1.01 | 1.00 |
| C16:1 LPC | ME291746 | 0.99 | 0.99 | 1.01 | 0.99 | 1.00 | 0.98 | 0.99 | 1.00 | 1.02 | 0.98 | 1.01 | 1.00 | 1.00 | 1.01 | 1.02 | 0.99 | 1.00 | 1.02 |
| C20:4 LPE | ME291762 | 0.99 | 0.99 | 1.01 | 0.99 | 0.99 | 1.00 | 0.99 | 0.99 | 1.02 | 1.00 | 1.00 | 0.99 | 1.01 | 1.02 | 1.02 | 0.99 | 1.00 | 1.02 |
| C22:5 LPC | ME291754 | 0.98 | 1.00 | 1.01 | 0.99 | 0.99 | 0.99 | 0.99 | 1.00 | 1.02 | 0.98 | 1.00 | 0.99 | 1.01 | 1.02 | 1.03 | 0.98 | 1.00 | 1.02 |
| C16:0 LPE | ME291758 | 0.99 | 0.99 | 1.01 | 0.99 | 0.99 | 0.99 | 0.99 | 0.99 | 1.03 | 0.98 | 1.00 | 0.99 | 1.01 | 1.02 | 1.03 | 0.99 | 1.01 | 1.02 |
| C18:0 LPE | ME291761 | 0.99 | 0.99 | 1.01 | 0.99 | 1.00 | 0.99 | 0.99 | 0.99 | 1.02 | 0.99 | 1.00 | 0.99 | 1.01 | 1.02 | 1.03 | 0.98 | 1.01 | 1.02 |
| C34:3 PE plasmalogen | ME291784 | 1.00 | 0.99 | 1.00 | 1.00 | 0.99 | 0.98 | 1.01 | 0.99 | 1.02 | 0.99 | 0.99 | 0.99 | 1.03 | 1.02 | 1.02 | 0.99 | 1.00 | 1.01 |
| C36:3 PE plasmalogen | ME291787 | 1.01 | 0.99 | 1.00 | 1.00 | 0.99 | 0.99 | 1.01 | 0.99 | 1.02 | 0.99 | 0.99 | 0.99 | 1.03 | 1.01 | 1.02 | 1.00 | 0.99 | 1.00 |
| C20:5 LPC | ME291751 | 1.00 | 1.00 | 1.01 | 0.99 | 0.99 | 1.00 | 0.99 | 0.99 | 1.01 | 0.98 | 0.99 | 0.99 | 1.02 | 1.02 | 1.02 | 0.99 | 0.99 | 1.01 |
| C36:2 PE | ME291780 | 1.01 | 0.99 | 1.01 | 0.99 | 1.00 | 1.00 | 1.00 | 0.98 | 1.01 | 0.98 | 0.99 | 0.99 | 1.01 | 1.01 | 1.02 | 0.99 | 1.00 | 1.01 |
| hydroxyproline | ME291674 | 1.00 | 1.01 | 0.99 | 0.99 | 1.00 | 0.98 | 0.99 | 1.00 | 0.99 | 0.99 | 1.00 | 0.99 | 1.03 | 1.01 | 1.00 | 0.99 | 1.00 | 1.02 |
| 4-acetamidobutanoate | ME291611 | 1.00 | 0.99 | 1.00 | 1.01 | 1.01 | 0.98 | 0.99 | 0.99 | 1.00 | 1.02 | 1.01 | 0.98 | 1.00 | 1.00 | 1.00 | 1.02 | 1.01 | 1.00 |
| phenylacetylglutamine | ME291706 | 1.01 | 0.99 | 1.00 | 1.01 | 1.00 | 0.99 | 1.00 | 0.99 | 1.01 | 1.01 | 1.00 | 0.98 | 1.01 | 1.00 | 1.01 | 1.01 | 1.01 | 1.01 |
| C18:1 LPC plasmalogen_A | ME291756 | 0.99 | 0.99 | 1.00 | 1.00 | 0.99 | 0.98 | 1.00 | 1.00 | 1.01 | 1.01 | 1.00 | 0.98 | 1.00 | 1.01 | 1.02 | 0.98 | 1.01 | 1.02 |
| alpha-glycerophosphocholine | ME291622 | 1.00 | 0.99 | 0.99 | 1.00 | 1.01 | 0.99 | 0.99 | 0.99 | 1.00 | 1.00 | 1.01 | 0.98 | 1.00 | 1.00 | 1.01 | 0.99 | 1.03 | 1.03 |
| taurine | ME291717 | 1.01 | 0.99 | 1.00 | 1.00 | 1.01 | 0.98 | 1.00 | 0.99 | 1.01 | 1.01 | 1.01 | 0.97 | 1.00 | 1.00 | 1.01 | 0.99 | 1.01 | 1.02 |
| citrulline | ME291656 | 1.02 | 0.99 | 1.00 | 1.00 | 1.00 | 0.97 | 1.01 | 0.99 | 1.01 | 1.00 | 1.00 | 0.99 | 1.02 | 1.01 | 1.00 | 1.00 | 0.99 | 1.00 |
| kynurenine | ME291602 | 1.01 | 0.99 | 1.00 | 0.99 | 0.99 | 0.98 | 1.01 | 1.00 | 1.01 | 1.01 | 1.00 | 0.99 | 1.02 | 1.00 | 1.01 | 1.01 | 0.99 | 1.00 |
| C5 carnitine | ME291636 | 1.01 | 1.00 | 1.01 | 1.00 | 1.00 | 0.99 | 1.01 | 1.00 | 1.00 | 0.99 | 1.00 | 0.99 | 1.02 | 1.00 | 0.99 | 0.99 | 1.00 | 1.00 |
| ornithine | ME291703 | 1.02 | 1.00 | 1.00 | 1.01 | 1.00 | 0.99 | 1.00 | 0.99 | 1.00 | 0.99 | 0.99 | 0.98 | 1.02 | 1.01 | 1.00 | 0.99 | 0.99 | 1.01 |
| C38:6 PE | ME291781 | 1.00 | 0.99 | 1.00 | 0.99 | 1.01 | 1.00 | 0.99 | 1.00 | 1.01 | 1.00 | 1.01 | 1.01 | 0.98 | 0.99 | 1.00 | 0.99 | 1.01 | 1.01 |
| C40:6 PE | ME291783 | 1.00 | 0.99 | 1.01 | 0.99 | 1.02 | 1.00 | 0.99 | 1.00 | 1.01 | 0.99 | 1.01 | 1.01 | 0.98 | 1.00 | 1.01 | 0.98 | 1.01 | 1.00 |
| N6,N6-dimethyllysine | ME291689 | 1.00 | 0.99 | 1.01 | 1.00 | 1.01 | 1.00 | 1.00 | 0.99 | 1.02 | 0.99 | 1.01 | 1.00 | 1.00 | 0.99 | 1.00 | 0.99 | 1.01 | 1.02 |
| C16:0 ceramide (d18:1) | ME291793 | 1.00 | 0.99 | 0.99 | 1.01 | 1.00 | 1.02 | 1.00 | 0.99 | 1.01 | 1.01 | 1.01 | 1.01 | 1.01 | 0.99 | 1.00 | 0.99 | 1.01 | 1.00 |
| C18:0 SM | ME291800 | 1.00 | 0.99 | 1.00 | 1.00 | 1.00 | 1.01 | 1.00 | 1.00 | 1.01 | 1.00 | 1.01 | 1.01 | 1.00 | 0.99 | 1.00 | 0.99 | 1.01 | 1.00 |
| C24:1 ceramide (d18:1) | ME291794 | 1.00 | 0.99 | 1.00 | 1.00 | 1.00 | 1.01 | 1.00 | 1.00 | 1.01 | 1.00 | 1.00 | 1.01 | 1.01 | 1.00 | 1.00 | 0.99 | 1.01 | 0.99 |
| C34:2 PE | ME291774 | 1.01 | 0.99 | 1.01 | 1.00 | 1.00 | 1.01 | 1.00 | 0.98 | 1.02 | 0.99 | 1.00 | 1.00 | 1.01 | 1.00 | 1.02 | 1.00 | 1.01 | 1.00 |
| C36:4 PE | ME291779 | 1.00 | 0.99 | 1.01 | 1.00 | 1.00 | 1.01 | 0.99 | 0.99 | 1.01 | 0.99 | 1.00 | 1.00 | 1.00 | 1.00 | 1.01 | 1.00 | 1.01 | 1.01 |
| C18:1 SM | ME291798 | 1.00 | 0.99 | 1.01 | 1.00 | 1.00 | 1.01 | 1.00 | 1.00 | 1.01 | 0.99 | 1.00 | 1.00 | 1.00 | 1.00 | 1.01 | 0.99 | 1.01 | 0.99 |
| C38:4 PE | ME291782 | 1.00 | 0.99 | 1.01 | 1.00 | 1.00 | 1.00 | 1.00 | 1.00 | 1.01 | 0.99 | 1.00 | 1.00 | 1.00 | 1.00 | 1.01 | 0.99 | 1.01 | 1.00 |
| myristoleate | ME291684 | 1.01 | 1.00 | 1.01 | 0.98 | 0.99 | 1.00 | 1.00 | 1.00 | 1.01 | 0.99 | 1.00 | 1.00 | 1.01 | 1.00 | 1.01 | 0.98 | 1.00 | 1.00 |
| pantothenate | ME291704 | 1.02 | 0.99 | 1.01 | 0.98 | 0.99 | 0.99 | 1.01 | 1.00 | 1.02 | 0.99 | 1.00 | 0.98 | 1.02 | 1.01 | 1.01 | 0.98 | 0.99 | 1.00 |
| C30:0 PC | ME291765 | 1.00 | 0.99 | 1.01 | 1.00 | 1.00 | 0.98 | 1.00 | 0.99 | 1.02 | 0.98 | 1.01 | 0.98 | 1.01 | 1.00 | 1.02 | 0.99 | 1.01 | 1.00 |
| C34:0 PE | ME291775 | 1.00 | 0.99 | 1.00 | 1.00 | 1.01 | 0.98 | 1.01 | 1.00 | 1.01 | 0.99 | 1.01 | 0.98 | 1.00 | 1.00 | 1.01 | 1.00 | 1.01 | 1.00 |
| C18:2 SM | ME291799 | 1.01 | 1.00 | 1.01 | 1.00 | 0.99 | 1.00 | 1.01 | 1.00 | 1.02 | 0.99 | 1.00 | 0.99 | 1.00 | 1.00 | 1.01 | 0.98 | 1.01 | 0.98 |
| C34:3 PC | ME291768 | 1.00 | 1.00 | 1.01 | 0.99 | 1.00 | 0.99 | 0.99 | 1.00 | 1.01 | 0.98 | 1.00 | 1.00 | 1.00 | 1.01 | 1.01 | 0.98 | 1.00 | 0.99 |
| C32:2 PC | ME291766 | 1.00 | 0.99 | 1.01 | 0.99 | 1.00 | 0.98 | 1.00 | 1.00 | 1.01 | 0.98 | 1.00 | 0.99 | 1.01 | 1.01 | 1.02 | 0.97 | 1.01 | 0.99 |
| C14:0 SM | ME291795 | 1.00 | 0.99 | 1.00 | 1.00 | 1.00 | 0.98 | 1.00 | 1.00 | 1.01 | 0.99 | 1.00 | 0.98 | 1.01 | 1.01 | 1.01 | 0.98 | 1.01 | 0.99 |
| C16:1 SM | ME291796 | 1.00 | 0.99 | 1.00 | 1.00 | 1.00 | 0.99 | 1.00 | 1.00 | 1.01 | 0.99 | 1.00 | 0.99 | 1.01 | 1.01 | 1.01 | 0.98 | 1.00 | 0.99 |
| arginine | ME291624 | 1.01 | 1.00 | 1.00 | 1.00 | 1.00 | 1.00 | 1.00 | 1.00 | 1.01 | 1.00 | 0.99 | 1.01 | 1.01 | 1.00 | 1.01 | 0.98 | 0.98 | 1.00 |
| acetyl-galactosamine | ME291619 | 1.02 | 0.99 | 1.00 | 1.00 | 0.99 | 1.01 | 1.00 | 1.00 | 1.01 | 1.00 | 1.00 | 0.99 | 1.01 | 1.00 | 1.01 | 1.00 | 0.99 | 1.02 |
| thyroxine | ME291721 | 1.01 | 0.99 | 1.00 | 1.00 | 0.99 | 1.01 | 1.00 | 1.00 | 1.01 | 1.01 | 1.00 | 1.01 | 1.01 | 1.00 | 1.01 | 0.99 | 0.99 | 1.02 |
| 7-methylguanine | ME291617 | 1.00 | 0.99 | 1.00 | 0.99 | 1.00 | 0.99 | 0.99 | 1.00 | 1.01 | 1.01 | 1.01 | 0.99 | 1.00 | 1.01 | 1.00 | 1.01 | 1.00 | 1.01 |
| N6-acetyllysine | ME291690 | 1.00 | 1.00 | 1.00 | 1.00 | 0.99 | 0.99 | 0.99 | 1.00 | 1.02 | 1.01 | 1.00 | 1.00 | 1.00 | 1.01 | 1.00 | 1.00 | 1.00 | 1.02 |
| dimethylglycine | ME291663 | 0.99 | 0.99 | 1.00 | 1.01 | 1.00 | 1.00 | 0.99 | 1.01 | 1.00 | 1.02 | 1.00 | 0.99 | 1.00 | 1.01 | 1.00 | 1.00 | 1.00 | 1.00 |
| 1-methylguanosine | ME291606 | 1.00 | 0.99 | 0.99 | 0.99 | 1.00 | 0.99 | 1.00 | 1.00 | 1.00 | 1.01 | 1.01 | 0.99 | 1.00 | 1.00 | 1.00 | 0.99 | 1.01 | 1.01 |
| N4-acetylcytidine | ME291687 | 1.00 | 0.99 | 1.00 | 1.00 | 1.00 | 1.00 | 0.99 | 1.00 | 1.01 | 1.02 | 1.01 | 0.99 | 0.99 | 0.99 | 0.99 | 1.00 | 1.01 | 1.00 |
| 1-methyladenosine | ME291605 | 1.00 | 0.99 | 1.00 | 1.00 | 1.00 | 1.00 | 1.00 | 1.00 | 1.01 | 1.01 | 1.01 | 1.00 | 1.00 | 1.00 | 1.00 | 1.00 | 1.00 | 0.99 |
| pseudouridine | ME291711 | 1.00 | 0.99 | 1.00 | 1.00 | 1.00 | 0.99 | 1.00 | 1.00 | 1.01 | 1.01 | 1.01 | 0.99 | 1.00 | 1.00 | 1.00 | 1.00 | 1.01 | 1.00 |
| butyrobetaine | ME291629 | 1.01 | 1.00 | 0.99 | 0.99 | 1.00 | 0.99 | 1.00 | 1.01 | 0.99 | 1.00 | 1.00 | 0.99 | 1.01 | 1.01 | 0.99 | 0.99 | 1.01 | 1.00 |
| hypoxanthine | ME291676 | 1.01 | 1.00 | 1.00 | 0.99 | 1.01 | 0.99 | 1.01 | 1.00 | 1.00 | 1.00 | 1.01 | 0.99 | 1.00 | 1.00 | 1.00 | 0.98 | 1.00 | 1.00 |
| C2 carnitine | ME291631 | 1.00 | 0.99 | 1.00 | 0.99 | 1.00 | 1.00 | 1.00 | 1.01 | 1.01 | 1.00 | 1.01 | 0.99 | 1.00 | 1.00 | 1.00 | 0.97 | 1.01 | 1.00 |
| C36:2 PS plasmalogen | ME291792 | 1.00 | 1.00 | 1.00 | 0.99 | 1.00 | 1.00 | 1.00 | 1.01 | 1.01 | 1.00 | 1.01 | 0.99 | 1.00 | 1.00 | 1.00 | 0.98 | 1.01 | 0.99 |
| C3 carnitine | ME291632 | 1.00 | 0.99 | 1.00 | 1.00 | 1.00 | 0.99 | 1.00 | 0.99 | 1.00 | 0.99 | 1.01 | 0.99 | 1.01 | 1.01 | 1.00 | 0.98 | 1.01 | 1.02 |
| C18:0 LPC | ME291750 | 1.00 | 1.00 | 1.01 | 0.99 | 0.99 | 0.98 | 1.00 | 1.00 | 1.01 | 0.99 | 1.00 | 0.99 | 1.01 | 1.01 | 1.02 | 0.98 | 1.00 | 1.01 |
| C20:0 LPE | ME291763 | 0.99 | 1.00 | 1.00 | 0.99 | 1.00 | 0.98 | 1.00 | 1.00 | 1.01 | 0.99 | 1.00 | 0.99 | 1.01 | 1.02 | 1.01 | 0.98 | 1.00 | 1.02 |
| serine | ME291714 | 1.00 | 1.00 | 1.00 | 1.00 | 1.00 | 1.00 | 0.99 | 1.00 | 1.00 | 1.00 | 1.00 | 1.00 | 0.99 | 1.01 | 1.01 | 0.99 | 1.00 | 1.02 |
| C18:1 LPC | ME291749 | 0.99 | 1.00 | 1.00 | 1.00 | 0.99 | 1.00 | 0.99 | 1.00 | 1.01 | 0.99 | 1.00 | 1.00 | 1.00 | 1.01 | 1.02 | 0.99 | 1.00 | 1.02 |
| C22:6 LPC | ME291753 | 0.98 | 1.00 | 1.00 | 0.99 | 0.99 | 1.00 | 0.99 | 1.00 | 1.01 | 0.99 | 1.00 | 1.00 | 1.00 | 1.01 | 1.02 | 0.98 | 1.00 | 1.02 |
| C18:3 LPC | ME291748 | 1.00 | 1.00 | 1.00 | 1.00 | 1.00 | 0.99 | 0.99 | 1.00 | 1.01 | 0.99 | 1.00 | 1.00 | 1.00 | 1.01 | 1.01 | 0.98 | 1.00 | 1.00 |
| C38:7 PE plasmalogen | ME291788 | 1.00 | 1.00 | 1.00 | 1.00 | 1.00 | 0.99 | 0.99 | 1.00 | 1.01 | 1.00 | 1.00 | 1.00 | 1.00 | 1.01 | 1.01 | 0.98 | 1.00 | 1.01 |
| histidine | ME291673 | 1.00 | 1.00 | 1.00 | 0.99 | 0.99 | 0.99 | 0.99 | 1.00 | 1.01 | 0.99 | 1.00 | 1.00 | 1.01 | 1.01 | 1.01 | 0.98 | 0.99 | 1.01 |
| C16:0 LPC | ME291747 | 0.99 | 1.00 | 1.00 | 1.00 | 0.99 | 0.99 | 0.99 | 1.00 | 1.01 | 0.99 | 1.00 | 0.99 | 1.01 | 1.01 | 1.01 | 0.98 | 1.00 | 1.01 |
| C20:4 LPC | ME291752 | 0.99 | 1.00 | 1.00 | 0.99 | 0.99 | 0.99 | 0.99 | 1.00 | 1.01 | 0.99 | 1.00 | 1.00 | 1.00 | 1.01 | 1.01 | 0.99 | 1.00 | 1.01 |
| betaine | ME291626 | 1.00 | 1.00 | 1.00 | 1.01 | 1.00 | 1.00 | 1.00 | 1.00 | 1.00 | 1.01 | 0.99 | 1.00 | 1.00 | 1.00 | 1.00 | 1.00 | 0.99 | 1.00 |
| N6,N6,N6-trimethyllysine | ME291688 | 1.00 | 1.00 | 1.00 | 1.01 | 1.00 | 0.99 | 1.00 | 1.00 | 1.01 | 1.00 | 1.00 | 0.99 | 1.00 | 1.01 | 0.99 | 1.00 | 1.00 | 1.00 |
| creatinine | ME291660 | 1.00 | 1.00 | 1.00 | 1.00 | 1.00 | 0.99 | 1.00 | 1.00 | 1.00 | 1.01 | 1.00 | 0.99 | 1.00 | 1.00 | 1.00 | 0.99 | 1.00 | 1.00 |
| phenylalanine | ME291707 | 1.00 | 1.00 | 1.00 | 1.00 | 1.00 | 0.99 | 1.00 | 1.00 | 1.00 | 1.00 | 1.00 | 1.00 | 1.00 | 1.00 | 1.00 | 1.00 | 1.00 | 1.00 |
| leucine | ME291680 | 1.00 | 1.00 | 0.99 | 1.00 | 1.00 | 0.99 | 1.00 | 1.00 | 1.00 | 1.00 | 1.00 | 0.99 | 1.00 | 1.01 | 1.00 | 0.98 | 1.00 | 1.01 |
| tryptophan | ME291603 | 1.00 | 1.00 | 1.00 | 1.00 | 1.00 | 0.99 | 1.00 | 1.00 | 1.00 | 1.00 | 1.00 | 1.00 | 1.00 | 1.01 | 1.00 | 0.99 | 0.99 | 1.01 |
| urate | ME291725 | 1.00 | 1.00 | 1.01 | 1.00 | 1.00 | 0.98 | 0.99 | 1.00 | 1.01 | 1.00 | 1.00 | 0.98 | 1.00 | 1.00 | 1.01 | 0.99 | 1.01 | 0.99 |
| SDMA | ME291713 | 1.00 | 1.00 | 1.00 | 1.00 | 1.00 | 0.99 | 1.00 | 1.00 | 1.01 | 1.00 | 1.00 | 0.99 | 1.01 | 1.01 | 1.00 | 0.99 | 1.00 | 0.99 |
| C34:3 PC plasmalogen | ME291770 | 1.00 | 0.99 | 1.00 | 1.00 | 1.00 | 0.99 | 1.00 | 1.00 | 1.01 | 1.00 | 1.00 | 0.98 | 1.01 | 1.01 | 1.01 | 1.00 | 1.00 | 0.99 |
| C36:5 PC plasmalogen | ME291771 | 1.00 | 0.99 | 1.00 | 1.00 | 1.00 | 0.99 | 1.00 | 1.00 | 1.00 | 1.00 | 1.00 | 0.99 | 1.01 | 1.00 | 1.01 | 1.00 | 1.01 | 0.99 |
| C38:7 PC plasmalogen | ME291772 | 0.99 | 0.99 | 0.99 | 1.00 | 1.00 | 0.99 | 0.99 | 1.00 | 1.01 | 1.00 | 1.01 | 0.99 | 1.00 | 1.01 | 1.01 | 0.99 | 1.00 | 1.00 |
| C38:6 PC plasmalogen | ME291773 | 1.00 | 1.00 | 1.00 | 1.00 | 1.00 | 0.99 | 1.00 | 1.00 | 1.01 | 1.00 | 1.00 | 0.99 | 1.00 | 1.01 | 1.01 | 0.99 | 1.01 | 1.00 |
| C40:7 PE plasmalogen | ME291791 | 1.00 | 1.00 | 1.00 | 1.00 | 1.00 | 0.99 | 0.99 | 1.00 | 1.01 | 1.00 | 1.00 | 0.99 | 1.00 | 1.01 | 1.01 | 1.00 | 1.00 | 1.01 |
| C34:1 DAG | ME291778 | 1.00 | 1.00 | 1.00 | 1.01 | 1.00 | 0.99 | 1.00 | 0.99 | 1.02 | 1.00 | 0.99 | 0.99 | 1.00 | 1.01 | 1.01 | 0.98 | 1.00 | 1.02 |
| ribothymidine | ME291712 | 1.01 | 1.00 | 1.01 | 1.00 | 1.00 | 0.99 | 1.00 | 1.00 | 1.01 | 1.00 | 1.00 | 0.99 | 1.00 | 1.00 | 1.01 | 0.98 | 1.00 | 1.01 |
| N-acetylalanine | ME291691 | 1.01 | 0.99 | 1.00 | 1.00 | 0.99 | 0.99 | 1.00 | 1.00 | 1.01 | 1.00 | 1.00 | 0.99 | 1.01 | 1.00 | 1.00 | 0.99 | 1.01 | 1.01 |
| C34:2 PE plasmalogen | ME291785 | 1.00 | 0.99 | 1.00 | 1.00 | 0.99 | 0.99 | 1.00 | 1.00 | 1.01 | 1.00 | 1.00 | 0.99 | 1.02 | 1.01 | 1.01 | 1.00 | 1.00 | 1.01 |
| C38:5 PE plasmalogen | ME291790 | 1.00 | 0.99 | 1.00 | 1.00 | 0.99 | 0.99 | 1.00 | 1.00 | 1.01 | 1.00 | 0.99 | 0.98 | 1.02 | 1.01 | 1.01 | 1.00 | 1.00 | 1.01 |
| C36:5 PE plasmalogen | ME291786 | 1.00 | 1.00 | 1.00 | 1.00 | 0.99 | 0.98 | 1.00 | 1.00 | 1.01 | 1.00 | 0.99 | 0.99 | 1.02 | 1.01 | 1.01 | 0.99 | 1.00 | 1.01 |
| C38:6 PE plasmalogen | ME291789 | 1.00 | 1.00 | 1.00 | 1.00 | 0.99 | 0.99 | 1.00 | 1.00 | 1.01 | 1.00 | 0.99 | 0.99 | 1.01 | 1.01 | 1.01 | 0.99 | 1.00 | 1.01 |
| glycocholate | ME291669 | 1.00 | 0.99 | 1.00 | 1.00 | 1.00 | 1.00 | 1.00 | 0.99 | 1.01 | 1.00 | 1.00 | 1.00 | 1.01 | 1.01 | 1.01 | 0.99 | 1.00 | 1.01 |
| glutamine | ME291668 | 1.00 | 0.99 | 1.00 | 1.00 | 1.00 | 1.00 | 1.00 | 1.00 | 1.01 | 1.00 | 1.00 | 1.00 | 1.01 | 1.01 | 1.01 | 0.99 | 1.00 | 1.00 |
| C16:0 SM | ME291797 | 1.00 | 0.99 | 1.00 | 1.00 | 1.00 | 1.00 | 1.00 | 1.00 | 1.01 | 1.00 | 1.00 | 1.00 | 1.01 | 1.00 | 1.01 | 0.99 | 1.00 | 1.00 |
| C36:2 PC | ME291769 | 1.00 | 1.00 | 1.00 | 1.00 | 1.00 | 1.00 | 1.00 | 1.00 | 1.01 | 1.00 | 1.00 | 1.00 | 1.01 | 1.00 | 1.01 | 0.99 | 1.00 | 1.00 |
| methionine | ME291683 | 1.00 | 0.99 | 1.00 | 1.00 | 0.99 | 1.00 | 1.00 | 1.00 | 1.01 | 0.99 | 1.00 | 1.00 | 1.01 | 1.01 | 1.00 | 0.98 | 1.00 | 1.01 |
| C20:0 SM | ME291801 | 1.00 | 1.00 | 1.00 | 1.00 | 1.00 | 1.00 | 1.00 | 1.00 | 1.00 | 0.99 | 1.00 | 1.00 | 1.01 | 1.01 | 1.00 | 0.98 | 1.00 | 1.00 |
| carnitine | ME291630 | 1.00 | 1.00 | 1.00 | 1.00 | 1.00 | 1.00 | 1.00 | 1.00 | 1.00 | 1.00 | 1.00 | 1.00 | 1.01 | 1.00 | 1.00 | 0.98 | 1.01 | 1.01 |
| alanine | ME291679 | 1.01 | 1.00 | 1.00 | 0.99 | 1.00 | 0.99 | 1.00 | 1.00 | 1.01 | 0.99 | 0.99 | 0.99 | 1.02 | 1.01 | 1.00 | 0.98 | 1.00 | 1.01 |
| choline | ME291654 | 1.01 | 1.00 | 1.00 | 1.00 | 1.00 | 0.99 | 1.00 | 1.00 | 1.00 | 1.00 | 0.99 | 0.99 | 1.01 | 1.01 | 1.00 | 0.98 | 1.00 | 1.01 |
| lysine | ME291682 | 1.01 | 1.00 | 1.00 | 1.00 | 1.00 | 1.00 | 1.00 | 1.00 | 1.00 | 0.99 | 0.99 | 1.00 | 1.01 | 1.01 | 1.00 | 0.98 | 0.99 | 1.01 |
| proline | ME291709 | 1.01 | 1.00 | 1.00 | 0.99 | 1.00 | 1.00 | 1.00 | 1.00 | 1.00 | 0.99 | 1.00 | 1.00 | 1.02 | 1.01 | 1.00 | 0.98 | 1.00 | 1.01 |
| threonine | ME291719 | 1.01 | 1.00 | 1.00 | 0.99 | 0.99 | 1.00 | 1.00 | 1.00 | 1.01 | 1.00 | 1.00 | 1.00 | 1.01 | 1.01 | 1.00 | 0.98 | 1.00 | 1.02 |
| asparagine | ME291625 | 1.01 | 1.00 | 0.99 | 1.00 | 1.00 | 1.00 | 1.00 | 1.00 | 1.01 | 1.00 | 1.00 | 1.00 | 1.01 | 1.01 | 1.00 | 0.99 | 1.00 | 1.01 |
| tyrosine | ME291724 | 1.01 | 1.00 | 1.00 | 1.00 | 1.00 | 1.00 | 1.00 | 1.00 | 1.00 | 1.00 | 1.00 | 1.00 | 1.00 | 1.01 | 0.99 | 0.99 | 1.00 | 1.01 |
| C3-DC-CH3 carnitine | ME291633 | 1.01 | 0.99 | 0.99 | 1.00 | 1.01 | 0.97 | 1.00 | 0.99 | 0.99 | 1.01 | 1.01 | 0.99 | 1.01 | 1.00 | 0.98 | 1.01 | 1.02 | 1.01 |
| C5:1 carnitine | ME291637 | 1.01 | 0.99 | 1.00 | 1.00 | 1.00 | 0.97 | 1.01 | 1.00 | 1.00 | 1.03 | 1.01 | 0.98 | 1.01 | 1.00 | 0.98 | 1.01 | 1.01 | 0.99 |
| C5-DC carnitine | ME291638 | 1.01 | 1.00 | 0.98 | 1.01 | 1.00 | 0.98 | 1.00 | 1.01 | 0.98 | 1.03 | 1.01 | 0.98 | 1.01 | 1.00 | 0.98 | 1.01 | 1.01 | 0.99 |
| N-acetylmethionine | ME291693 | 1.01 | 0.99 | 1.01 | 1.00 | 1.01 | 0.98 | 1.00 | 1.00 | 1.01 | 1.01 | 1.01 | 0.95 | 1.02 | 1.00 | 1.01 | 1.02 | 0.99 | 1.02 |
| trimethylamine-N-oxide | ME291723 | 1.00 | 0.98 | 1.01 | 1.00 | 1.04 | 0.97 | 0.98 | 0.98 | 1.01 | 1.01 | 1.01 | 0.99 | 1.02 | 1.00 | 1.00 | 1.02 | 1.02 | 1.01 |
| carvedilol | ME291733 | NA | 1.24 | 1.18 | 0.62 | 1.37 | NA | NA | 1.20 | 0.73 | 0.43 | 1.35 | NA | NA | 1.26 | NA | NA | NA | NA |
| quinine | ME291742 | 1.04 | 0.82 | NA | 0.95 | 1.34 | NA | 0.84 | 1.01 | NA | 1.50 | 1.27 | NA | NA | 0.70 | 0.73 | NA | 0.70 | NA |
Factors:
| F1 | Time point:baseline | OS_Censor (1 means the time is a censoring time and 0 means a failure time in OS):1 | Nivolumab Dose (mg/kg):0.3 |
| F2 | Time point:baseline | OS_Censor (1 means the time is a censoring time and 0 means a failure time in OS):1 | Nivolumab Dose (mg/kg):10 |
| F3 | Time point:baseline | OS_Censor (1 means the time is a censoring time and 0 means a failure time in OS):1 | Nivolumab Dose (mg/kg):2 |
| F4 | Time point:baseline | OS_Censor (1 means the time is a censoring time and 0 means a failure time in OS):- | Nivolumab Dose (mg/kg):0.3 |
| F5 | Time point:baseline | OS_Censor (1 means the time is a censoring time and 0 means a failure time in OS):- | Nivolumab Dose (mg/kg):10 |
| F6 | Time point:baseline | OS_Censor (1 means the time is a censoring time and 0 means a failure time in OS):- | Nivolumab Dose (mg/kg):2 |
| F7 | Time point:week 4 | OS_Censor (1 means the time is a censoring time and 0 means a failure time in OS):1 | Nivolumab Dose (mg/kg):0.3 |
| F8 | Time point:week 4 | OS_Censor (1 means the time is a censoring time and 0 means a failure time in OS):1 | Nivolumab Dose (mg/kg):10 |
| F9 | Time point:week 4 | OS_Censor (1 means the time is a censoring time and 0 means a failure time in OS):1 | Nivolumab Dose (mg/kg):2 |
| F10 | Time point:week 4 | OS_Censor (1 means the time is a censoring time and 0 means a failure time in OS):- | Nivolumab Dose (mg/kg):0.3 |
| F11 | Time point:week 4 | OS_Censor (1 means the time is a censoring time and 0 means a failure time in OS):- | Nivolumab Dose (mg/kg):10 |
| F12 | Time point:week 4 | OS_Censor (1 means the time is a censoring time and 0 means a failure time in OS):- | Nivolumab Dose (mg/kg):2 |
| F13 | Time point:week 9 | OS_Censor (1 means the time is a censoring time and 0 means a failure time in OS):1 | Nivolumab Dose (mg/kg):0.3 |
| F14 | Time point:week 9 | OS_Censor (1 means the time is a censoring time and 0 means a failure time in OS):1 | Nivolumab Dose (mg/kg):10 |
| F15 | Time point:week 9 | OS_Censor (1 means the time is a censoring time and 0 means a failure time in OS):1 | Nivolumab Dose (mg/kg):2 |
| F16 | Time point:week 9 | OS_Censor (1 means the time is a censoring time and 0 means a failure time in OS):- | Nivolumab Dose (mg/kg):0.3 |
| F17 | Time point:week 9 | OS_Censor (1 means the time is a censoring time and 0 means a failure time in OS):- | Nivolumab Dose (mg/kg):10 |
| F18 | Time point:week 9 | OS_Censor (1 means the time is a censoring time and 0 means a failure time in OS):- | Nivolumab Dose (mg/kg):2 |
