Metabolite_name RefMet_name R10 R11 R12 R7 R8 R9 R1 R13 R14 R15 R2 R3 R4 R5 R6 Factors - Study Group:non-OC Study Group:non-OC Study Group:non-OC Study Group:non-OC Study Group:non-OC Study Group:non-OC Study Group:OC Study Group:OC Study Group:OC Study Group:OC Study Group:OC Study Group:OC Study Group:OC Study Group:OC Study Group:OC Acetyl-L-carnitine CAR 2:0 0.5000 0.4890 0.5300 0.4720 0.5210 0.5030 0.4930 0.5400 0.5570 0.5210 0.5370 0.4500 0.5160 0.5420 0.5370 Ac-Orn N-Acetylornithine Alanine Alanine 442 454 453 441 442 446 457 602 468 473 477 458 468 498 489 alpha-aminoadipate Aminoadipic acid 1.9300 1.5500 2.2900 2.0300 4.0100 2.7100 1.8200 1.9100 1.9400 2.2100 2.0600 2 2.2500 2.0200 1.9900 Arginine Arginine 386 388 347 365 310 357 398 326 409 356 336 366 300 343 417 Asparagine Asparagine 159 159 155 162 162 165 161 107 161 161 152 172 136 143 161 Aspartic Acid Aspartic acid 258 244 233 219 237 237 262 188 259 237 254 249 242 253 256 Butenyl-L-carnitine CAR 4:1 0.0290 0.0260 0.0240 0.0250 0.0190 0.0220 0.0270 0.0220 0.0260 0.0260 0.0220 0.0180 0.0200 0.0210 0.0250 Butyryl-L-carnitine CAR 4:0 0.1520 0.1460 0.1580 0.1460 0.1530 0.1470 0.1780 0.1750 0.1670 0.1580 0.1560 0.1350 0.1590 0.1470 0.1400 C16-OH CAR 16:0 0.0040 0.0040 0.0050 0.0040 0.0030 0.0040 0.0040 0.0040 0.0040 0.0040 0.0050 0.0040 0.0030 0.0040 0.0040 c4-OH-Pro cis-4-Hydroxyproline 0.1480 0.1470 0.1520 0.1490 0.1480 0.1470 0.1520 C5-OH (C3-DC-M) CAR 5:0;OH 0.4100 0.4540 0.4030 0.3880 0.3610 0.4070 0.4610 0.4740 0.4450 0.4200 0.4120 0.4020 0.3570 0.4030 0.4640 Carnosine Carnosine 4.9900 4.4900 4.7200 4.8300 4.1800 4.4300 5.0100 4.4800 5.0400 4.9200 4.4700 3.4500 3.6400 4.2100 4.2900 Citrulline Citrulline 8.9100 8.3400 8.7200 8.5200 9.6400 9.6800 9.3800 10.6000 10.2000 8.8700 9.6300 8.2400 9.7400 9.2000 8.5000 Creatinine Creatinine 28.6000 27.3000 29.3000 27 29.8000 28.1000 28.8000 29.3000 30.2000 27.2000 30 23.6000 28.3000 29.8000 24.1000 Decadienyl-L-carnitine CAR 10:2 0.0170 0.0190 0.0190 0.0170 0.0160 0.0140 0.0160 0.0190 0.0150 0.0180 0.0140 0.0150 0.0160 0.0180 0.0170 Decanoyl-L-carnitine CAR 10:0 0.0500 0.0420 0.0400 0.0400 0.0370 0.0440 0.0430 0.0410 0.0460 0.0430 0.0400 0.0380 0.0390 0.0400 0.0370 Decenoyl-L-carnitine CAR 10:1 0.0460 0.0430 0.0410 0.0500 0.0380 0.0370 0.0330 0.0440 0.0440 0.0400 0.0400 0.0390 0.0380 0.0390 0.0450 DL-Carnitine Carnitine 2.6500 2.4900 2.3900 2.4100 2.1300 2.3100 2.5400 2.6800 2.5500 2.5800 2.5100 2.2000 2.1500 2.4200 2.3200 Dodecanedioyl-L-carnitine CAR 12:2 0.0470 0.0470 0.0480 0.0490 0.0440 0.0460 0.0470 0.0520 0.0480 0.0460 0.0470 0.0470 0.0490 0.0510 0.0530 Dodecanoyl-L-carnitine CAR 12:0 0.0300 0.0240 0.0280 0.0210 0.0230 0.0310 0.0300 0.0270 0.0300 0.0310 0.0300 0.0260 0.0250 0.0270 0.0290 Dodecenoyl-L-carnitine CAR 12:1 0.0410 0.0370 0.0370 0.0420 0.0340 0.0340 0.0300 0.0410 0.0380 0.0360 0.0360 0.0380 0.0350 0.0350 0.0400 Dopamine Dopamine Fumaryl-L-carnitine CAR DC4:1 0.0430 0.0440 0.0390 0.0380 0.0380 0.0390 0.0400 0.0370 0.0440 0.0410 0.0400 0.0350 0.0380 0.0320 0.0430 Glutaconyl-L-carnitine CAR DC5:1 0.0140 0.0120 0.0160 0.0110 0.0100 0.0110 0.0160 0.0160 0.0110 0.0120 0.0150 0.0130 0.0120 0.0160 0.0110 Glutamic Acid Glutamic acid 769 763 848 853 942 926 815 1175 862 819 1004 971 748 990 903 Glutamine Glutamine 2580 2035 1801 2368 2031 1690 864 1044 1877 1628 2211 2239 580 2241 2622 Glutaryl-L-carnitine CAR DC5:0 0.0110 0.0120 0.0100 0.0090 0.0110 0.0120 0.0130 0.0120 0.0100 0.0110 0.0100 0.0090 0.0100 0.0110 0.0110 Glycine Glycine 561 590 570 551 537 589 605 651 646 597 584 604 495 589 697 Hexadecadienyl-L-carnitine CAR 16:2 0.0030 0.0040 0.0040 0.0040 0.0050 0.0030 0.0030 0.0050 0.0030 0.0040 0.0030 0.0040 0.0040 0.0040 0.0040 Hexadecanoyl-L-carnitine CAR 16:0 0.0080 0.0080 0.0090 0.0100 0.0080 0.0080 0.0110 0.0080 0.0100 0.0100 0.0090 0.0080 0.0070 0.0110 0.0080 Hexadecenoyl-L-carnitine CAR 16:1 0.0100 0.0110 0.0100 0.0110 0.0090 0.0100 0.0100 0.0090 0.0110 0.0090 0.0090 0.0120 0.0100 0.0110 0.0110 Hexenoyl-L-carnitine CAR 6:1 0.0180 0.0200 0.0190 0.0180 0.0170 0.0180 0.0190 0.0170 0.0190 0.0200 0.0180 0.0170 0.0140 0.0190 0.0180 Hexose Hexose 20538 19751 17259 19497 15960 16549 21183 15129 19609 18112 16871 16533 16008 16603 19925 Histamine Histamine Histidine Histidine 216 211 198 208 182 190 213 195 218 202 205 207 173 197 236 Hydroxyhexadecadienyl-L-carnitine CAR 16:0;OH 0.0080 0.0080 0.0090 0.0090 0.0100 0.0090 0.0080 0.0080 0.0100 0.0100 0.0090 0.0100 0.0090 0.0090 0.0090 Hydroxyhexadecenoyl-L-carnitine CAR 16:1;OH 0.0050 0.0050 0.0060 0.0040 0.0030 0.0050 0.0040 0.0050 0.0050 0.0050 0.0050 0.0050 0.0040 0.0070 0.0040 Hydroxyoctadecenoyl-L-carnitine CAR 18:1;OH 0.0120 0.0110 0.0120 0.0110 0.0100 0.0120 0.0100 0.0110 0.0120 0.0130 0.0100 0.0110 0.0100 0.0140 0.0120 Hydroxyproline Hydroxyproline 13.5000 12.2000 13.4000 12.7000 14 13.8000 15.3000 17.9000 14 12.5000 14.7000 10.5000 15.7000 15.4000 10.9000 Hydroxypropionyl-L-carnitine CAR 3:0;OH 0.0090 0.0090 0.0080 0.0100 0.0080 0.0100 0.0080 0.0090 0.0100 0.0100 0.0080 0.0090 0.0080 0.0070 0.0110 Hydroxysphingomyeline C 14:1 SM 18:1;O2/14:1;O 0.1020 0.1000 0.1090 0.0930 0.0850 0.0790 0.1150 0.0990 0.0980 0.0910 0.1060 0.0570 0.0680 0.0990 0.0720 Hydroxysphingomyeline C16:1 SM 18:1;O2/16:1;O 0.1490 0.1190 0.1310 0.1360 0.1340 0.1220 0.1220 0.1320 0.1270 0.1220 0.1360 0.0920 0.1060 0.1300 0.1260 Hydroxysphingomyeline C22:1 SM 18:1;O2/22:1;O 0.3040 0.2680 0.2830 0.2820 0.2850 0.2460 0.2950 0.3260 0.3170 0.2980 0.3200 0.2230 0.2620 0.2840 0.2510 Hydroxysphingomyeline C22:2 SM 18:1;O2/22:2;O 0.2470 0.2160 0.2220 0.2200 0.2000 0.1880 0.2260 0.2710 0.2470 0.2250 0.2390 0.1570 0.1850 0.2260 0.1730 Hydroxysphingomyeline C24:1 SM 18:1;O2/24:1;O 0.0280 0.0240 0.0270 0.0340 0.0250 0.0250 0.0240 0.0290 0.0400 0.0260 0.0290 0.0230 0.0220 0.0310 0.0360 Hydroxytetradecadienyl-L-carnitine CAR 14:0;OH 0.0060 0.0060 0.0050 0.0050 0.0060 0.0060 0.0080 0.0060 0.0070 0.0070 0.0050 0.0050 0.0050 0.0070 0.0050 Hydroxytetradecenoyl-L-carnitine CAR 14:1;OH 0.0090 0.0090 0.0080 0.0090 0.0080 0.0090 0.0060 0.0100 0.0090 0.0090 0.0090 0.0100 0.0060 0.0100 0.0110 Isoleucine Isoleucine 668 682 631 659 570 589 686 648 675 633 619 609 590 608 711 Kynurenine Kynurenine 0.5740 0.4170 0.4920 0.5030 0.5800 0.5950 0.4510 0.5870 0.5490 0.5130 0.5470 0.3790 1.4800 0.6880 0.4700 Leucine Leucine 701 709 652 671 591 611 716 663 710 660 639 638 584 621 714 Levodopa DOPA Lysine Lysine 797 809 818 821 793 830 833 797 836 795 792 879 779 812 868 lysoPhosphatidylcholine acyl C14:0 LPC 14:0 4.1300 3.8700 3.9300 3.9000 4 4.0800 3.8800 3.8200 4.1100 3.9500 3.6600 3.9900 3.7700 3.9100 4.0100 lysoPhosphatidylcholine acyl C16:0 LPC 16:0 1.7600 1.6800 1.8900 1.5000 1.6700 1.7100 2.3400 0.9120 2.3700 2.0600 1.7200 1.2200 1.5800 1.9100 1.5400 lysoPhosphatidylcholine acyl C16:1 LPC 16:1 0.2350 0.2400 0.2740 0.2380 0.2860 0.3210 0.2950 0.0700 0.3770 0.3530 0.2870 0.2440 0.2260 0.3010 0.2670 lysoPhosphatidylcholine acyl C17:0 LPC 17:0 0.1040 0.1070 0.1010 0.1000 0.1170 0.0950 0.1520 0.0760 0.1420 0.1230 0.0950 0.0570 0.0890 0.0980 0.0950 lysoPhosphatidylcholine acyl C18:0 LPC 18:0 1.0100 0.9480 0.9450 0.7940 0.8770 0.8700 1.4400 0.7670 1.2800 1.1600 0.8890 0.5840 0.9910 0.9670 0.7890 lysoPhosphatidylcholine acyl C18:1 LPC 18:1 1.0500 1.0100 0.9640 0.8860 0.9500 0.9680 1.2400 0.2280 1.5000 1.3000 0.8960 0.6140 0.8050 1.1100 0.8180 lysoPhosphatidylcholine acyl C18:2 LPC 18:2 0.1390 0.1350 0.1100 0.0950 0.1030 0.1300 0.2070 0.0170 0.1930 0.1460 0.1160 0.0710 0.0950 0.1230 0.1240 lysoPhosphatidylcholine acyl C20:3 LPC 20:3 0.0980 0.0790 0.0890 0.0760 0.0680 0.0850 0.1190 0.0460 0.1310 0.0970 0.0610 0.0490 0.0800 0.0890 0.0590 lysoPhosphatidylcholine acyl C20:4 LPC 20:4 0.1150 0.1040 0.0890 0.0990 0.1030 0.1270 0.2280 0.0200 0.2500 0.1680 0.0850 0.0640 0.1210 0.1120 0.1050 lysoPhosphatidylcholine acyl C24:0 LPC 24:0 0.2950 0.2630 0.2750 0.2760 0.2600 0.2820 0.2400 0.2840 0.2450 0.2350 0.2400 0.2660 0.2710 0.2600 0.2720 lysoPhosphatidylcholine acyl C26:0 LPC 26:0 0.1090 0.1090 0.1250 0.1310 0.1230 0.1270 0.1100 0.1220 0.1120 0.1230 0.1000 0.1250 0.1280 0.1260 0.1390 lysoPhosphatidylcholine acyl C26:1 LPC 26:1 0.0080 0.0060 0.0020 0.0100 0.0090 0.0040 0.0080 0.0050 0.0050 0.0100 0.0060 0.0110 0.0090 0.0110 0.0110 lysoPhosphatidylcholine acyl C28:0 LPC 28:0 0.0410 0.0330 0.0380 0.0400 0.0320 0.0410 0.0420 0.0420 0.0450 0.0420 0.0320 0.0350 0.0370 0.0420 0.0320 lysoPhosphatidylcholine acyl C28:1 LPC 28:1 0.0120 0.0110 0.0150 0.0150 0.0120 0.0130 0.0100 0.0190 0.0160 0.0110 0.0100 0.0140 0.0150 0.0140 0.0170 Malonyl-L-carnitine CAR DC3:0 0.0120 0.0130 0.0110 0.0100 0.0100 0.0130 0.0120 0.0110 0.0090 0.0130 0.0120 0.0110 0.0110 0.0130 0.0150 Methionine Methionine 219 213 197 208 181 186 213 190 219 198 194 195 168 190 227 Methionine Sulfoxide Methionine sulfoxide 2.1300 3.8500 5.4900 2 2.2200 3.3400 6.2300 4.4300 4.0600 3.9900 2.6200 2.8800 5.2500 2.3000 3.1300 Methylglutaryl-L-carnitine CAR DC5:0;3Me 0.0160 0.0180 0.0180 0.0160 0.0150 0.0170 0.0140 0.0150 0.0190 0.0170 0.0150 0.0170 0.0140 0.0140 0.0170 NG_NG-Dimethyl-L-arginine Dimethylarginine 0.6160 0.5650 0.7220 0.6740 0.8250 0.8380 0.6860 0.9230 0.6850 0.7200 0.8470 0.7590 0.7530 0.8120 0.7380 Nitrotyrosine Nitrotyrosine 0.0030 0.0020 Nonayl-L-carnitine CAR 9:0 0.0080 0.0080 0.0060 0.0100 0.0060 0.0090 0.0080 0.0090 0.0070 0.0090 0.0080 0.0070 0.0080 0.0080 0.0080 Octadecadienyl-L-carnitine CAR 18:2 0.0030 0.0030 0.0030 0.0020 0.0030 0.0030 0.0020 0.0040 0.0030 0.0030 0.0020 0.0020 0.0030 0.0060 0.0030 Octadecanoyl-L-carnitine CAR 18:0 0.0040 0.0050 0.0040 0.0030 0.0030 0.0030 0.0050 0.0040 0.0050 0.0050 0.0020 0.0030 0.0030 0.0120 0.0040 Octadecenoyl-L-carnitine CAR 18:1 0.0090 0.0090 0.0090 0.0070 0.0080 0.0080 0.0090 0.0080 0.0080 0.0100 0.0090 0.0070 0.0080 0.0100 0.0090 Octanoyl-L-carnitine CAR 8:0 0.0460 0.0480 0.0480 0.0480 0.0470 0.0470 0.0470 0.0470 0.0530 0.0530 0.0580 0.0490 0.0430 0.0420 0.0440 Ornithine Ornithine 49.9000 45.8000 42.9000 38.6000 33.6000 33.1000 58.7000 58.9000 54.2000 48.2000 36.3000 26.7000 38.5000 34.8000 39.2000 PEA Palmitoyl-EA Phenylalanine Phenylalanine 399 403 379 384 347 366 415 390 399 386 377 377 337 368 431 Phosphatidylcholine acyl-alkyl C 30:0 PC O-30:0 0.0360 0.0370 0.0470 0.0390 0.0400 0.0350 0.0500 0.0450 0.0390 0.0440 0.0420 0.0450 0.0420 0.0400 0.0430 Phosphatidylcholine acyl-alkyl C30:1 PC P-30:0 or PC O-30:1 0.0120 0.0150 0.0080 0.0150 0.0170 0.0180 0.0160 0.0130 0.0210 0.0190 0.0110 0.0160 0.0160 0.0130 0.0190 Phosphatidylcholine acyl-alkyl C30:2 PC P-30:1 or PC O-30:2 0.1140 0.1070 0.1040 0.1110 0.1180 0.1130 0.1100 0.1060 0.1100 0.1220 0.1110 0.1150 0.1090 0.1060 0.1120 Phosphatidylcholine acyl-alkyl C32:1 PC P-32:0 or PC O-32:1 0.0920 0.0790 0.0800 0.0750 0.0660 0.0730 0.0900 0.0960 0.0950 0.0860 0.0830 0.0620 0.0790 0.0900 0.0850 Phosphatidylcholine acyl-alkyl C32:2 PC P-32:1 or PC O-32:2 0.0270 0.0260 0.0250 0.0240 0.0260 0.0240 0.0270 0.0310 0.0350 0.0290 0.0280 0.0280 0.0240 0.0320 0.0240 Phosphatidylcholine acyl-alkyl C34:0 PC O-34:0 0.0830 0.0800 0.0740 0.0770 0.0840 0.0730 0.0770 0.0860 0.0780 0.0940 0.0840 0.0470 0.0710 0.0750 0.0650 Phosphatidylcholine acyl-alkyl C34:1 PC O-34:1 0.3400 0.3230 0.3460 0.3240 0.3250 0.2940 0.3170 0.3380 0.3710 0.3230 0.3330 0.2650 0.3000 0.3610 0.3140 Phosphatidylcholine acyl-alkyl C34:2 PC P-34:1 or PC O-34:2 0.1890 0.1440 0.1560 0.1530 0.1450 0.1400 0.1450 0.1790 0.1650 0.1640 0.1750 0.1170 0.1440 0.1690 0.1440 Phosphatidylcholine acyl-alkyl C34:3 PC P-34:2 or PC O-34:3 0.0180 0.0160 0.0190 0.0170 0.0180 0.0140 0.0190 0.0190 0.0190 0.0220 0.0180 0.0150 0.0130 0.0220 0.0160 Phosphatidylcholine acyl-alkyl C36:0 PC O-36:0 0.1200 0.1180 0.0960 0.0970 0.0860 0.0890 0.0990 0.0940 0.0920 0.0950 0.1170 0.0870 0.0970 0.0980 0.0920 Phosphatidylcholine acyl-alkyl C36:1 PC P-36:0 or PC O-36:1 0.3640 0.3350 0.3360 0.3420 0.3350 0.2900 0.3560 0.3430 0.3620 0.3500 0.3450 0.2690 0.2760 0.3380 0.3100 Phosphatidylcholine acyl-alkyl C36:2 PC P-36:1 or PC O-36:2 0.1340 0.1170 0.1230 0.1250 0.1200 0.1240 0.1160 0.1390 0.1280 0.1270 0.1240 0.1020 0.1080 0.1290 0.1180 Phosphatidylcholine acyl-alkyl C36:3 PC P-36:2 or PC O-36:3 0.0550 0.0580 0.0520 0.0470 0.0520 0.0520 0.0430 0.0570 0.0520 0.0510 0.0530 0.0330 0.0500 0.0580 0.0530 Phosphatidylcholine acyl-alkyl C36:4 PC O-36:4 0.0720 0.0480 0.0560 0.0500 0.0540 0.0550 0.0610 0.0600 0.0610 0.0640 0.0590 0.0440 0.0470 0.0580 0.0560 Phosphatidylcholine acyl-alkyl C36:5 PC P-36:4 or PC O-36:5 0.0660 0.0760 0.0670 0.0710 0.0690 0.0680 0.0620 0.0750 0.0770 0.0670 0.0680 0.0610 0.0520 0.0750 0.0590 Phosphatidylcholine acyl-alkyl C38:0 PC O-38:0 0.0740 0.0570 0.0690 0.0600 0.0680 0.0580 0.0700 0.0680 0.0690 0.0700 0.0780 0.0520 0.0570 0.0600 0.0590 Phosphatidylcholine acyl-alkyl C38:1 PC P-38:0 or PC O-38:1 0.0720 0.0740 0.0690 0.0610 0.0650 0.0680 0.0540 0.0760 0.0760 0.0720 0.0740 0.0530 0.0550 0.0730 0.0630 Phosphatidylcholine acyl-alkyl C38:2 PC P-38:1 or PC O-38:2 0.0670 0.0640 0.0680 0.0700 0.0710 0.0750 0.0690 0.0610 0.0600 0.0690 0.0770 0.0540 0.0560 0.0650 0.0770 Phosphatidylcholine acyl-alkyl C38:3 PC P-38:2 or PC O-38:3 0.0980 0.0930 0.1010 0.1060 0.1040 0.0870 0.1090 0.0910 0.1020 0.1030 0.1030 0.0820 0.0790 0.0920 0.0810 Phosphatidylcholine acyl-alkyl C38:4 PC P-38:3 or PC O-38:4 0.1000 0.0900 0.0870 0.0910 0.0910 0.0870 0.0860 0.0930 0.0990 0.0950 0.0980 0.0730 0.0730 0.1020 0.0800 Phosphatidylcholine acyl-alkyl C38:5 PC P-38:4 or PC O-38:5 0.0940 0.0840 0.0990 0.0750 0.0910 0.0830 0.0870 0.1010 0.0980 0.0890 0.0950 0.0760 0.0720 0.0920 0.0850 Phosphatidylcholine acyl-alkyl C38:6 PC P-38:5 or PC O-38:6 0.1250 0.1160 0.1170 0.1090 0.1050 0.1030 0.0960 0.1260 0.1400 0.1240 0.1470 0.0910 0.0820 0.1210 0.0910 Phosphatidylcholine acyl-alkyl C40:1 PC P-40:0 or PC O-40:1 0.0230 0.0150 0.0230 0.0170 0.0190 0.0170 0.0210 0.0180 0.0180 0.0190 0.0200 0.0130 0.0190 0.0220 0.0110 Phosphatidylcholine acyl-alkyl C40:2 PC P-40:1 or PC O-40:2 0.0270 0.0270 0.0290 0.0340 0.0270 0.0250 0.0410 0.0360 0.0310 0.0330 0.0290 0.0280 0.0370 0.0310 0.0270 Phosphatidylcholine acyl-alkyl C40:3 PC P-40:2 or PC O-40:3 0.0530 0.0440 0.0510 0.0490 0.0560 0.0450 0.0690 0.0530 0.0580 0.0620 0.0480 0.0430 0.0460 0.0430 0.0460 Phosphatidylcholine acyl-alkyl C40:4 PC P-40:3 or PC O-40:4 0.0750 0.0690 0.0820 0.0800 0.0750 0.0660 0.0850 0.0740 0.0680 0.0730 0.0800 0.0580 0.0760 0.0810 0.0760 Phosphatidylcholine acyl-alkyl C40:5 PC P-40:4 or PC O-40:5 0.1150 0.1060 0.1190 0.1030 0.0990 0.1030 0.1080 0.1190 0.1100 0.1100 0.1180 0.0730 0.0830 0.1060 0.0870 Phosphatidylcholine acyl-alkyl C40:6 PC P-40:5 or PC O-40:6 0.1160 0.1110 0.1010 0.1100 0.1070 0.0970 0.0940 0.1110 0.1120 0.1200 0.1050 0.0930 0.0690 0.1120 0.1000 Phosphatidylcholine acyl-alkyl C42:0 PC O-42:0 0.2580 0.2540 0.2610 0.2410 0.2460 0.2530 0.2430 0.2430 0.2550 0.2450 0.2400 0.2440 0.2640 0.2540 0.2610 Phosphatidylcholine acyl-alkyl C42:1 PC P-42:0 or PC O-42:1 0.0230 0.0270 0.0270 0.0230 0.0310 0.0270 0.0290 0.0290 0.0230 0.0250 0.0230 0.0200 0.0280 0.0290 0.0290 Phosphatidylcholine acyl-alkyl C42:2 PC P-42:1 or PC O-42:2 0.0170 0.0150 0.0100 0.0100 0.0100 0.0090 0.0130 0.0130 0.0100 0.0080 0.0120 0.0090 0.0110 0.0130 0.0080 Phosphatidylcholine acyl-alkyl C42:3 PC P-42:2 or PC O-42:3 0.0170 0.0130 0.0130 0.0130 0.0120 0.0140 0.0180 0.0150 0.0150 0.0110 0.0160 0.0130 0.0140 0.0160 0.0140 Phosphatidylcholine acyl-alkyl C42:4 PC P-42:3 or PC O-42:4 Phosphatidylcholine acyl-alkyl C42:5 PC P-42:4 or PC O-42:5 0.4040 0.4140 0.4220 0.4070 0.4390 0.4300 0.4330 0.4190 0.4290 0.4280 0.4110 0.4160 0.4270 0.4020 0.4200 Phosphatidylcholine acyl-alkyl C44:3 PC P-44:2 or PC O-44:3 0.0140 0.0140 0.0140 0.0120 0.0110 0.0130 0.0120 0.0130 0.0120 0.0110 0.0090 0.0110 0.0130 0.0120 0.0130 Phosphatidylcholine acyl-alkyl C44:4 PC P-44:3 or PC O-44:4 0.0350 0.0270 0.0310 0.0330 0.0330 0.0340 0.0370 0.0340 0.0380 0.0280 0.0340 0.0370 0.0350 0.0370 0.0370 Phosphatidylcholine acyl-alkyl C44:5 PC P-44:4 or PC O-44:5 0.0210 0.0290 0.0210 0.0200 0.0200 0.0250 0.0210 0.0190 0.0220 0.0200 0.0200 0.0190 0.0240 0.0210 0.0170 Phosphatidylcholine acyl-alkyl C44:6 PC P-44:5 or PC O-44:6 0.0180 0.0090 0.0140 0.0170 0.0120 0.0160 0.0130 0.0160 0.0150 0.0130 0.0140 0.0130 0.0130 0.0180 0.0140 Phosphatidylcholine diacyl C 24:0 PC 24:0 0.0100 0.0100 0.0120 0.0120 0.0120 0.0110 0.0130 0.0100 0.0130 0.0100 0.0100 0.0130 0.0120 0.0110 0.0120 Phosphatidylcholine diacyl C26:0 PC 26:0 0.2990 0.2740 0.2840 0.2760 0.2750 0.2800 0.2730 0.2810 0.2830 0.2820 0.2630 0.2850 0.2860 0.2880 0.2950 Phosphatidylcholine diacyl C28:1 PC 28:1 0.0330 0.0370 0.0320 0.0310 0.0350 0.0280 0.0350 0.0400 0.0320 0.0350 0.0320 0.0320 0.0330 0.0410 0.0340 Phosphatidylcholine diacyl C30:0 PC 30:0 0.1840 0.1730 0.1880 0.1690 0.1790 0.1710 0.1870 0.2070 0.1890 0.1980 0.1930 0.1640 0.1880 0.1920 0.1820 Phosphatidylcholine diacyl C30:2 PC 30:2 0.0060 0.0050 0.0130 0.0040 0.0090 0.0170 0.0140 0.0100 0.0010 0.0090 0.0030 Phosphatidylcholine diacyl C32:0 PC 32:0 0.5310 0.5030 0.5340 0.5130 0.5100 0.4820 0.5320 0.4910 0.5590 0.5440 0.5380 0.4300 0.4910 0.5370 0.4770 Phosphatidylcholine diacyl C32:1 PC 32:1 0.2510 0.2590 0.3430 0.2350 0.2890 0.3080 0.2140 0.3210 0.2930 0.3370 0.3030 0.2810 0.3270 0.3080 0.3200 Phosphatidylcholine diacyl C32:2 PC 32:2 0.0420 0.0500 0.0620 0.0290 0.0430 0.0620 0.0340 0.0700 0.0500 0.0590 0.0650 0.0640 0.0620 0.0690 0.0710 Phosphatidylcholine diacyl C32:3 PC 32:3 0.0070 0.0060 0.0130 0.0060 0.0070 0.0090 0.0070 0.0120 0.0080 0.0090 0.0070 0.0080 0.0080 0.0070 0.0080 Phosphatidylcholine diacyl C34:1 PC 34:1 3.2800 3.0200 3.1200 3 3 2.7300 2.9900 3.1500 3.3400 3.2100 3.0200 2.3900 2.6900 3.1600 2.8000 Phosphatidylcholine diacyl C34:2 PC 34:2 0.4200 0.4060 0.4080 0.3660 0.4240 0.3890 0.4560 0.4250 0.4320 0.4310 0.4030 0.3520 0.3870 0.4350 0.4070 Phosphatidylcholine diacyl C34:3 PC 34:3 0.0250 0.0240 0.0370 0.0320 0.0310 0.0320 0.0270 0.0360 0.0380 0.0410 0.0270 0.0260 0.0270 0.0270 0.0300 Phosphatidylcholine diacyl C34:4 PC 34:4 0.0090 0.0080 0.0100 0.0060 0.0120 0.0090 0.0050 0.0090 0.0080 0.0090 0.0070 0.0060 0.0050 0.0110 0.0080 Phosphatidylcholine diacyl C36:0 PC 36:0 0.2510 0.2260 0.2540 0.2350 0.2350 0.2380 0.2040 0.2530 0.2380 0.2350 0.2200 0.2140 0.1890 0.2370 0.2210 Phosphatidylcholine diacyl C36:1 PC 36:1 2.4100 2.2600 2.2500 2.3100 2.2400 2.0600 2.3900 2.4000 2.4800 2.3500 2.4600 1.7200 1.8400 2.3300 1.9900 Phosphatidylcholine diacyl C36:2 PC 36:2 1.1500 1.0700 1.0900 1.0400 1.0600 1.0100 1.1200 1.1100 1.1500 1.1200 1.1500 0.8870 0.9190 1.1100 0.9760 Phosphatidylcholine diacyl C36:3 PC 36:3 0.4120 0.3930 0.3930 0.3900 0.3910 0.3790 0.4370 0.4030 0.4270 0.4150 0.4180 0.3240 0.3630 0.4060 0.3770 Phosphatidylcholine diacyl C36:4 PC 36:4 0.4260 0.3790 0.3970 0.3920 0.4100 0.3560 0.3930 0.3840 0.4300 0.3970 0.4350 0.3130 0.3240 0.4020 0.3640 Phosphatidylcholine diacyl C36:5 PC 36:5 0.0590 0.0480 0.0540 0.0490 0.0460 0.0440 0.0410 0.0470 0.0500 0.0540 0.0530 0.0360 0.0320 0.0500 0.0420 Phosphatidylcholine diacyl C36:6 PC 36:6 0.0160 0.0170 0.0210 0.0120 0.0170 0.0230 0.0190 0.0170 0.0170 0.0130 0.0110 0.0100 0.0090 0.0160 0.0130 Phosphatidylcholine diacyl C38:0 PC 38:0 0.0900 0.0860 0.0890 0.0770 0.0820 0.0740 0.0670 0.0850 0.0880 0.0810 0.0810 0.0530 0.0480 0.0880 0.0720 Phosphatidylcholine diacyl C38:1 PC 38:1 0.0810 0.0680 0.0690 0.1000 0.0790 0.0650 0.0670 0.0790 0.0870 0.0920 0.0570 0.0590 0.0520 0.0770 0.0710 Phosphatidylcholine diacyl C38:3 PC 38:3 0.9600 0.8770 0.9100 0.9260 0.8490 0.8190 0.9170 0.9330 0.9130 0.9060 0.9290 0.6790 0.7100 0.9090 0.7990 Phosphatidylcholine diacyl C38:4 PC 38:4 1.2100 1.1100 1.1500 1.1300 1.1100 1.0200 1.1400 1.1500 1.2200 1.1800 1.1800 0.8200 0.9190 1.1400 0.9950 Phosphatidylcholine diacyl C38:5 PC 38:5 0.8410 0.7520 0.7880 0.7670 0.7620 0.7000 0.6760 0.7730 0.8290 0.7980 0.8060 0.5990 0.5100 0.7700 0.6780 Phosphatidylcholine diacyl C38:6 PC 38:6 0.5970 0.5180 0.5550 0.5580 0.5280 0.4840 0.4110 0.5140 0.5960 0.5500 0.5910 0.4090 0.3390 0.5610 0.4620 Phosphatidylcholine diacyl C40:1 PC 40:1 0.1160 0.1140 0.1270 0.1170 0.1250 0.1200 0.1390 0.1250 0.1250 0.1220 0.1120 0.1150 0.1150 0.1200 0.1210 Phosphatidylcholine diacyl C40:2 PC 40:2 0.0130 0.0160 0.0130 0.0140 0.0210 0.0110 0.0230 0.0150 0.0200 0.0150 0.0170 0.0120 0.0200 0.0160 0.0160 Phosphatidylcholine diacyl C40:3 PC 40:3 0.0360 0.0330 0.0350 0.0310 0.0300 0.0290 0.0330 0.0320 0.0300 0.0280 0.0260 0.0260 0.0310 0.0340 0.0340 Phosphatidylcholine diacyl C40:4 PC 40:4 0.1410 0.1080 0.1140 0.1150 0.1160 0.1130 0.1480 0.1180 0.1270 0.1170 0.1260 0.0960 0.1280 0.1160 0.1050 Phosphatidylcholine diacyl C40:5 PC 40:5 0.7530 0.7080 0.6990 0.6970 0.6730 0.6750 0.6030 0.7660 0.7860 0.7260 0.7430 0.5360 0.4900 0.7110 0.6030 Phosphatidylcholine diacyl C40:6 PC 40:6 1.1100 0.9790 0.9860 1.0100 0.9950 0.9230 0.7940 1.0100 1.0900 1 1.0500 0.7870 0.6430 0.9840 0.9090 Phosphatidylcholine diacyl C42:0 PC 42:0 0.0270 0.0270 0.0200 0.0210 0.0270 0.0240 0.0190 0.0180 0.0160 0.0250 0.0220 0.0210 0.0250 0.0270 0.0190 Phosphatidylcholine diacyl C42:1 PC 42:1 0.0360 0.0440 0.0450 0.0490 0.0430 0.0400 0.0420 0.0340 0.0470 0.0470 0.0420 0.0330 0.0300 0.0350 0.0420 Phosphatidylcholine diacyl C42:2 PC 42:2 0.0320 0.0380 0.0310 0.0300 0.0350 0.0330 0.0350 0.0300 0.0320 0.0330 0.0350 0.0390 0.0360 0.0370 0.0320 Phosphatidylcholine diacyl C42:4 PC 42:4 0.0130 0.0100 0.0130 0.0110 0.0140 0.0140 0.0180 0.0150 0.0100 0.0140 0.0090 0.0060 0.0180 0.0170 0.0120 Phosphatidylcholine diacyl C42:5 PC 42:5 0.0200 0.0170 0.0190 0.0150 0.0180 0.0210 0.0150 0.0180 0.0190 0.0160 0.0230 0.0170 0.0160 0.0200 0.0160 Phosphatidylcholine diacyl C42:6 PC 42:6 0.0650 0.0590 0.0620 0.0550 0.0550 0.0510 0.0510 0.0520 0.0680 0.0700 0.0530 0.0540 0.0590 0.0650 0.0520 Pimelyl-L-carnitine CAR DC7:0 0.0090 0.0070 0.0070 0.0080 0.0050 0.0080 0.0060 0.0080 0.0060 0.0070 0.0930 0.0070 0.0070 0.0060 0.0070 Proline Proline 352 355 349 348 366 351 366 378 361 367 387 426 289 375 430 Propenyl-L-carnitine CAR 3:1 0.0090 0.0100 0.0080 0.0090 0.0100 0.0080 0.0100 0.0120 0.0100 0.0090 0.0100 0.0090 0.0080 0.0110 0.0100 Propionyl-L-carnitine CAR 3:0 0.2100 0.2100 0.2120 0.1830 0.1890 0.1910 0.2410 0.2000 0.2210 0.2080 0.1960 0.1740 0.2060 0.1920 0.1920 Putrescine Putrescine 0.0160 0.0910 0.0320 0.0140 0.0290 0.0490 0.0040 0.1570 0.0210 0.0270 0.0200 0.0390 0.0160 0.0310 0.0390 Sarcosine Sarcosine 0.6490 0.4950 0.5830 0.5590 0.5990 0.5640 0.6470 0.6180 0.5990 0.5480 0.6400 0.6120 0.6130 0.5700 0.3010 Serine Serine 360 335 285 347 241 242 363 97 316 274 233 234 249 230 277 Serotonin Serotonin 0.4940 0.0360 0.0190 0.4220 0.4390 0.0690 0.1210 0.0310 0.0680 0.0390 0.4590 0.2350 0.0620 0.4740 0.2050 Spermidine Spermidine 0.0400 0.0400 0.0420 0.0390 0.0410 0.0440 0.0440 0.0470 0.0410 0.0410 0.0410 0.0440 0.0440 0.0430 0.0400 Spermine Spermine 0.0880 0.0920 0.0900 0.0900 0.0890 0.1040 0.0920 0.0890 0.0900 0.0920 0.0930 0.0900 0.0900 0.0900 Sphingomyeline C16:0 SM 18:1;O2/16:0 2.8200 2.5800 2.6200 2.6400 2.5300 2.3500 2.9300 2.6600 2.8100 2.7300 2.6800 1.8900 2.3200 2.5700 2.3800 Sphingomyeline C16:1 SM 18:1;O2/16:1 0.3590 0.3150 0.3320 0.3290 0.3380 0.2860 0.3470 0.3380 0.3480 0.3380 0.3400 0.2510 0.2890 0.3250 0.3120 Sphingomyeline C18:0 SM 18:1;O2/18:0 0.6600 0.6040 0.5960 0.5960 0.5760 0.5300 0.6500 0.6190 0.6700 0.6190 0.6640 0.4230 0.5150 0.6010 0.5090 Sphingomyeline C18:1 SM 18:1;O2/18:1 0.2190 0.2120 0.2030 0.2280 0.2130 0.1810 0.2180 0.2340 0.2190 0.2360 0.2240 0.1450 0.1840 0.2110 0.2080 Sphingomyeline C20:2 SM 18:1;O2/20:2 0.0070 0.0060 0.0070 0.0060 0.0030 0.0040 0.0080 0.0060 0.0060 0.0060 0.0050 0.0090 0.0090 0.0020 Sphingomyeline C22:3 SM 18:1;O2/22:3 0.0150 0.0050 0.0070 0.0130 0.0030 0.0020 0.0030 0.0090 0.0020 0.0020 0.0060 0.0010 0.0090 0.0070 Sphingomyeline C24:0 SM 18:1;O2/24:0 0.6330 0.5550 0.6040 0.5930 0.5710 0.5390 0.6520 0.6400 0.6300 0.5790 0.6770 0.4470 0.4900 0.5650 0.5210 Sphingomyeline C24:1 SM 18:1;O2/24:1 1.2800 1.1400 1.1800 1.0900 1.1500 1.0300 1.3700 1.2800 1.2900 1.2600 1.3400 0.8410 0.9960 1.1600 0.9730 Sphingomyeline C26:0 SM 18:1;O2/26:0 0.0130 0.0020 0.0120 0.0120 0.0080 0.0080 0.0080 0.0050 0.0080 0.0100 0.0020 0.0050 0.0120 0.0050 Sphingomyeline C26:1 SM 18:1;O2/26:1 0.0270 0.0170 0.0140 0.0180 0.0170 0.0180 0.0160 0.0220 0.0180 0.0260 0.0340 0.0070 0.0150 0.0180 0.0150 Symmetric dimethylarginine Symmetric dimethylarginine 0.5790 0.5840 0.5630 0.5290 0.5760 0.6010 0.6300 0.6160 0.6400 0.5820 0.6130 0.5140 0.5980 0.5430 0.5260 Taurine Taurine 11.9000 10.4000 11.9000 10.7000 11.9000 10.6000 13.1000 6.2700 13.1000 10.7000 11.1000 9.8500 11.3000 12 9.7200 Tetradecadienyl-L-carnitine CAR 14:2 0.0130 0.0120 0.0110 0.0110 0.0110 0.0100 0.0110 0.0170 0.0120 0.0130 0.0100 0.0110 0.0100 0.0130 0.0120 Tetradecanoyl-L-carnitine CAR 14:0 0.0120 0.0100 0.0110 0.0120 0.0110 0.0100 0.0120 0.0120 0.0100 0.0100 0.0110 0.0100 0.0100 0.0130 0.0120 Tetradecenoyl-L-carnitine CAR 14:1 0.0050 0.0030 0.0040 0.0040 0.0060 0.0040 0.0040 0.0040 0.0040 0.0050 0.0060 0.0040 0.0030 0.0040 0.0060 Threonine Threonine 761 751 745 755 733 781 810 764 770 732 763 782 727 763 776 Tiglyl-L-carnitine CAR 4:1;2Me 0.0150 0.0140 0.0120 0.0150 0.0140 0.0170 0.0160 0.0160 0.0160 0.0160 0.0140 0.0160 0.0130 0.0160 0.0170 Tryptophan Tryptophan 88.8000 89.2000 81.3000 85.8000 75.8000 79.4000 87.2000 78.6000 88.7000 83.2000 82.5000 80.1000 65 77.8000 94.5000 Tyrosine Tyrosine 395 400 373 376 342 362 390 386 407 385 375 376 302 359 426 Valeryl-L-carnitine CAR 5:0 0.0750 0.0700 0.0700 0.0670 0.0700 0.0680 0.0800 0.0800 0.0750 0.0770 0.0710 0.0600 0.0710 0.0670 0.0600 Valine Valine 802 793 746 780 702 705 821 764 811 767 758 735 681 731 847