Data for Metabolomics-based elucidation of active metabolic pathways in erythrocytes and HSC-derived reticulocytes (Study ST000403)
(Analysis AN000642)Values for each metabolite have been scaled by dividing by the mean across all factors Run Hierarchial cluster analysis on this study | Run Heatmap cluster analysis on this study| Metabolite | F1 | F2 | F3 | F4 | F5 | F6 |
|---|---|---|---|---|---|---|
| 10-Hydroxycarbazepine | 1.0768 | 1.2326 | 0.8721 | 0.6639 | NA | NA |
| 1,2,4-Trimethylbenzene | 0.7936 | 1.6487 | 1.4955 | 0.6717 | 0.3276 | 1.0629 |
| 1,2-dioctanoyl-1-amino-2,3-propanediol | NA | NA | NA | 0.9669 | NA | 1.0165 |
| 1(2H)-Isoquinolinone | 1.1904 | 0.9452 | 1.0294 | 0.8873 | 0.8555 | 1.0921 |
| 12-OPDA | 0.4553 | 0.5636 | 1.9735 | 0.8217 | 1.2166 | 0.9693 |
| 1-5-diazabicyclononane | 0.4238 | 0.5067 | 0.4529 | 0.5265 | 3.5830 | 0.5070 |
| 1-5-diazabicyclononane_2 | 0.3331 | 0.3827 | 0.3482 | 1.5042 | 1.8632 | 1.5685 |
| 1,6-anhydrous-N-Acetylmuramyl-tetrapeptide | 1.1836 | 1.4369 | 0.3796 | NA | NA | NA |
| 1-deoxynojirimycin | 1.0996 | 0.7911 | 0.7541 | 0.9856 | 1.4861 | 0.8835 |
| 1-deoxyxylonojirimycin | 0.1023 | 0.1244 | 0.0983 | 1.7704 | 2.0148 | 1.8898 |
| 1-Methylnicotinamide | 1.3992 | 1.2615 | 1.4543 | 0.6394 | 0.5877 | 0.6578 |
| 1-Nitronaphthalene | 0.1830 | 0.4450 | 1.4469 | 1.5481 | 1.2291 | 1.1479 |
| 2,3,4,5-Tetrahydrodipicolinate | NA | NA | NA | 0.9697 | 0.9994 | 1.0309 |
| 2,3,4,5-Tetrahydropyridine-2-carboxylate | 0.9818 | 1.1064 | 0.9386 | 1.0016 | 0.9155 | 1.0561 |
| 2,3-Dimethylmaleate | 0.8951 | 0.4327 | 1.6737 | 0.8131 | 0.5748 | 1.6107 |
| 2-amino-3,7-dideoxy-D-threo-hept-6-ulosonate | 0.5996 | 0.3479 | 1.1753 | 0.9632 | 0.8582 | 2.0558 |
| 2-amino-3,7-dideoxy-D-threo-hept-6-ulosonate_2 | 0.9065 | 0.8182 | 1.0100 | 0.9809 | 0.9618 | 1.3225 |
| 2-Aminobutan-4-olide | 0.7927 | 0.5562 | 1.1240 | 1.1618 | 1.1200 | 1.2454 |
| 2-Dehydro-3-deoxy-L-rhamnonate | 1.1699 | 0.5322 | 1.6407 | 0.7810 | 0.4961 | 1.3800 |
| 2-Methylcholine | 0.9353 | 1.7647 | 0.9995 | 0.6576 | 0.9839 | 0.6589 |
| 2-monooleoylglycerol | 1.3269 | 1.4403 | 1.3155 | 0.4834 | 0.6342 | 0.7997 |
| 2-Phenyl-1,3-propanediol monocarbamate | 0.7616 | 0.4317 | 1.1576 | 1.3336 | 1.2278 | 1.0877 |
| 3,4-Dehydrothiomorpholine-3-carboxylate | 2.1550 | 0.8483 | 1.2778 | 0.6930 | 0.3791 | 0.6468 |
| 3,4-Dehydrothiomorpholine-3-carboxylate_2 | 2.0997 | 0.8179 | 1.3715 | 0.6974 | 0.3622 | 0.6512 |
| 3,5,7-Trimethyl-2E,4E,6E,8E-undecatetraene | 0.9257 | 1.7363 | 1.3325 | 0.6720 | 0.3944 | 0.9390 |
| 3,5-dihydro-5-methylidene-4H-imidazol-4-one | 0.2514 | 0.5451 | 1.6943 | 1.3753 | 0.9143 | 1.2195 |
| 3-(ADP)-2-phosphoglycerate | 0.7359 | NA | 0.4142 | 1.4833 | 0.9727 | 1.3940 |
| 3-beta-D-Galactosyl-sn-glycerol | 0.8551 | 0.9385 | 1.2064 | NA | NA | NA |
| 3-Butylidene-7-hydroxyphthalide | 1.5788 | 0.4127 | 0.5145 | 1.3215 | 1.2589 | 0.9136 |
| 3-Butynoate | 0.3946 | 0.3923 | 0.3621 | 1.7555 | 1.6153 | 1.4801 |
| 3-Dehydroteasterone | 0.7221 | 0.5587 | 0.5528 | 3.1209 | 0.4155 | 0.6300 |
| 3-(Dimethylamino)propyl benzoate | 0.7256 | 0.8659 | 0.7659 | 1.4193 | 0.7261 | 1.4059 |
| 3-Hydroxy-L-kynurenine | NA | 0.1510 | 0.5420 | 0.9104 | 1.0081 | 1.8225 |
| 3-Hydroxy-N6,N6,N6-trimethyl-L-lysine | 0.1589 | 0.1566 | 0.1688 | 1.6337 | 1.9470 | 1.9349 |
| 3-Methoxyanthranilate | 1.0591 | 1.1410 | 1.1658 | 0.9216 | 0.7935 | 0.9191 |
| 3-methyl-1-heptene | 1.0016 | 0.7162 | 0.7375 | 1.2665 | 1.2814 | 0.9968 |
| 3-Methylcrotonylglycine | 0.8853 | 1.2958 | 1.1369 | 0.8282 | 0.9107 | 0.9048 |
| 3-Methyleneoxindole | 0.2852 | 0.4783 | 1.3087 | 1.5883 | 1.1267 | 1.2128 |
| 3-nitro-2-pentanol | 0.8867 | 1.1998 | 0.6914 | 1.1143 | 0.9157 | 1.1921 |
| 3-Nitrotyrosine | NA | NA | 1.0000 | NA | NA | NA |
| 4-(1-methyl-5-hydroxy-2-pyrrolidinyl)-3-oxobutanoate methyl ester | 0.9909 | 0.7418 | 1.4522 | 1.0252 | 0.8078 | 0.9821 |
| 4,6-Dihydroxyquinoline | 0.5909 | 0.2850 | 2.6544 | 0.4121 | 1.1207 | 0.6986 |
| 4-8dimethylnonanoylcarnitine | 1.2070 | 0.8303 | 1.5741 | 0.6587 | 0.8081 | 0.9218 |
| 4-Aminobutanal | 0.9957 | 0.6645 | 1.0135 | 1.1330 | 1.1042 | 1.0891 |
| 4-Aminobutanoate | 0.6045 | 0.6393 | 0.6257 | 1.3189 | 1.3943 | 1.4174 |
| 4-Guanidinobutanal | 1.0264 | 0.8774 | 1.1200 | 1.0049 | 0.8968 | 1.0746 |
| 4-Hydroxy-4-methylglutamate | 0.9079 | 0.9382 | 0.8246 | 1.0577 | 1.0249 | 1.2467 |
| 4-Hydroxycinnamyl aldehyde | 0.0852 | 2.7890 | 0.2216 | NA | NA | 0.5993 |
| 4-Imidazolone-5-propanoate | 0.3039 | 0.2658 | 0.2812 | 1.6855 | 1.7691 | 1.6945 |
| 4-PIOL | 0.9944 | 1.2137 | 0.9454 | 0.9364 | 0.9592 | 0.9510 |
| 4-Trimethylammoniobutanoate | 1.1527 | 1.1523 | 1.0275 | 0.8972 | 0.9790 | 0.7914 |
| 4α-hydroxymethyl-4β-methyl-5α-cholesta-8,24-dien-3β-ol | 0.7500 | 0.6393 | 0.8282 | 1.4946 | 1.1352 | 1.1526 |
| 5,6-Dihydrothymine | 0.6083 | 0.6605 | 0.7423 | 1.2621 | 1.4003 | 1.3265 |
| 5,6-Dihydrothymine_2 | 0.9397 | 0.6398 | 0.9376 | 0.9750 | 1.4796 | 1.0283 |
| 5,8,13,13a-Tetrahydrocolumbamine | 1.2864 | 0.8707 | 0.9573 | 0.9479 | 0.8225 | 1.1152 |
| 5-Aminopentanamide | 0.6663 | 0.6917 | 0.7555 | 1.1804 | 1.2635 | 1.4425 |
| 5-Guanidino-2-oxopentanoate | 1.0154 | 0.9585 | 1.1374 | 0.9686 | 0.8667 | 1.0534 |
| 5-guanidino-3-methyl-2-oxo-pentanoate | 1.0884 | 0.4681 | 0.6745 | 1.6926 | 0.8142 | 1.2621 |
| 5-Hydroxytryptophol | 0.7387 | 0.8110 | 1.2610 | 0.9936 | 1.0227 | 1.1729 |
| 5-Methoxytryptophol | 0.5803 | 0.9237 | 1.2477 | 0.9554 | 1.1072 | 1.1857 |
| 5-Methylcytosine | 1.0923 | 0.9444 | 1.1197 | 0.9849 | 0.8346 | 1.0241 |
| 5-Methylthioadenosine | 0.4701 | 0.5938 | 0.4756 | 1.6469 | 1.2979 | 1.5156 |
| 5S-HETE di-endoperoxide | 1.1893 | 0.8510 | 1.1370 | NA | 0.6427 | 1.1799 |
| (+/-)-5-[(tert-Butylamino)-2-hydroxypropoxy]-1,2,3,4-tetrahydro-1- naphthol | 0.3294 | 0.6435 | 1.6641 | 1.1219 | 1.1953 | 1.0458 |
| (+/-)-5-[(tert-Butylamino)-2-hydroxypropoxy]-3,4-dihydro-1(2H)- naphthalenone | NA | NA | 0.3799 | 1.1697 | 1.2257 | 1.2247 |
| 6-Acetamido-2-oxohexanoate | 0.6254 | 0.5079 | 1.1749 | 0.9921 | 0.9167 | 1.7829 |
| 7,8-benzoflavone | 0.8813 | 0.7701 | 0.9821 | 1.1885 | 1.1068 | 1.0713 |
| 7,8-H2pterin-6-ylmethyl-l-(4-aminophenyl)-1-deoxy-5-[1-α -D- ribofuranosyl 5-phosphate]-D-ribitol | 0.7291 | 0.4861 | 0.3527 | 1.6138 | 1.4882 | 1.3302 |
| 7alpha-Hydroxycholest-4-en-3-one | 0.1986 | 1.0087 | 2.0409 | 0.6511 | 0.9957 | 1.1050 |
| Acetone cyanohydrin | 0.5700 | 0.6487 | 0.7120 | 1.3166 | 1.4236 | 1.3291 |
| Acetylagmatine | NA | NA | 1.0000 | NA | NA | NA |
| Acetylcholine | NA | NA | NA | 0.9786 | 1.0263 | 0.9951 |
| Acetyl phosphate | 0.8139 | 0.5143 | 1.3574 | 1.1323 | 0.7170 | 1.4650 |
| Ac-Tyr-OEt | 0.4336 | 0.8323 | 0.5997 | 1.2062 | 1.2409 | 1.6874 |
| a Cysteine adduct | 1.7625 | 0.6401 | 1.9774 | 0.6436 | 0.3426 | 0.6338 |
| a Cysteine adduct_2 | 1.7629 | 0.8080 | 2.2118 | 0.4852 | 0.2105 | 0.5215 |
| Adenine | 0.7488 | 1.0990 | 0.6686 | 1.2200 | 1.0070 | 1.2566 |
| Ala-Ala-Ala | NA | NA | 1.0000 | NA | NA | NA |
| Ala-Asn-Gly | 1.0507 | 0.2199 | 1.5224 | 0.9105 | 0.6299 | 1.1466 |
| Ala-Asp-Asp-Gln | NA | NA | NA | 0.7684 | 1.1537 | 1.0780 |
| Ala-Asp-Cys-Gly | 0.4419 | 1.3856 | NA | 0.8589 | NA | 1.3137 |
| Ala-Asp-Cys-Ser | 0.4287 | 0.4318 | 0.4076 | 1.5261 | 1.6296 | 1.5762 |
| Ala-Asp-Gly | 0.3278 | 0.2910 | 0.2323 | 1.7945 | 1.6485 | 1.7059 |
| Ala-Asp-Gly_2 | 1.5002 | 0.6892 | 1.6643 | 0.8570 | 0.5388 | 0.7505 |
| Ala-Asp-Pro-Ser | NA | NA | NA | 0.7683 | 0.7470 | 1.4847 |
| Ala-Gln-Pro | NA | NA | 1.0000 | NA | NA | NA |
| Ala-Leu-Lys-Pro | 0.4984 | 0.5103 | 0.5835 | 1.5894 | 1.3606 | 1.4578 |
| Ala-Leu-Thr-Pro | 0.6043 | 0.6919 | 1.1943 | 1.1491 | 1.1744 | 1.1860 |
| Ala-Lys-Asn-His | NA | NA | 0.2202 | 1.0873 | 1.3076 | 1.1250 |
| Ala-Met-Pro-Tyr | NA | NA | NA | 1.0997 | 0.9017 | 0.9986 |
| Ala-Pro | 0.8300 | 0.9722 | 0.9059 | 1.0557 | 1.0454 | 1.1908 |
| Ala-Ser-Ser | 1.0266 | 1.0882 | 0.8852 | NA | NA | NA |
| Alatanin 2 | 1.7327 | 0.3481 | 0.5489 | 1.3531 | 0.7076 | 1.1592 |
| allopurinol | 0.6279 | 0.8100 | 0.6469 | 1.3023 | 1.3369 | 1.2760 |
| alpha-Methylstyrene | 0.7686 | 1.3194 | 1.4052 | 0.7553 | 0.7263 | 1.0252 |
| AMP | 1.1212 | 1.7856 | 0.9339 | 0.6111 | 0.8304 | 0.7178 |
| Anthranilate | 1.4585 | 1.6342 | 1.4124 | 0.4732 | 0.5007 | 0.5209 |
| Arg-Asn-Pro-His | 0.4007 | 0.4422 | 0.3677 | 1.4793 | 1.6452 | 1.6650 |
| Arg-Asp-Asp-Gly | 0.1979 | 0.2392 | 0.1827 | 1.7596 | 1.8857 | 1.7349 |
| Arg-Leu-Asn-Asp | 1.4511 | 0.5854 | 1.0478 | 0.3325 | NA | NA |
| Arg-Met-Asn-Gln | NA | NA | 1.0000 | NA | NA | NA |
| Arg-Met-Asn-His | 0.5869 | 0.6834 | 1.7297 | NA | NA | NA |
| Arg-Met-Val-Asp | 0.5736 | NA | 1.3401 | NA | NA | 0.9442 |
| Asn-Asn-Asn | 1.1828 | 1.1436 | 0.9206 | 0.8684 | 0.6033 | 1.3290 |
| Asn-Asn-Pro-His | 0.8384 | 0.4414 | 1.4323 | 0.8119 | 0.8017 | 1.6742 |
| Asn-Asp | 0.6642 | 0.5157 | 0.2961 | 1.4030 | 1.6046 | 1.4044 |
| Asn-Cys-Pro-Ser | NA | NA | NA | 1.0006 | 0.8517 | 1.1477 |
| Asn-Leu-Asn-Tyr | 2.0081 | 1.7008 | 1.7213 | 0.3292 | 0.1930 | 0.0477 |
| Asn-Pro | 1.6248 | 2.5635 | 1.4977 | 0.1020 | 0.1062 | 0.1057 |
| Asn-Tyr | 0.7020 | NA | 1.7252 | 0.4710 | NA | 1.1018 |
| Asp-Arg | 0.0475 | NA | 0.0689 | 1.2242 | 1.4174 | 1.2966 |
| Asp-Asp-Gly | 0.0919 | 0.0776 | 0.0959 | 1.8397 | 1.8817 | 2.0133 |
| Asp-Cys-Cys-Ser | 0.4772 | 0.2949 | 1.5594 | 1.2983 | 1.0062 | 1.3639 |
| Asp-Cys-Gln | 0.9515 | 1.0745 | 1.1188 | 0.9367 | 0.9844 | 0.9340 |
| Asp-Gly | NA | NA | NA | 0.9953 | 1.1044 | 0.9003 |
| Asp-Gly-Arg | 1.1149 | 1.3370 | 1.2707 | 0.7388 | 0.7934 | 0.7452 |
| Asp-Gly-Arg_2 | 0.7789 | 1.3621 | 0.8556 | 0.8689 | 1.1433 | 0.9911 |
| Asp-Gly-Pro | 1.1371 | 0.3870 | 1.4716 | 1.0839 | 0.8332 | 1.0871 |
| Asp-Gly-Pro-Ser | NA | NA | NA | 0.8244 | 0.6919 | 1.4837 |
| Aspidofractine | NA | NA | 1.4301 | NA | 0.5699 | NA |
| Asp-Leu-Ser-His | NA | NA | 0.6666 | NA | NA | 1.3334 |
| Asp-Met-Pro-Pro | NA | NA | NA | 0.6426 | 0.8206 | 1.4176 |
| Asp-Pro-Ser | 0.8813 | 0.8230 | 1.7340 | 0.6170 | 0.5291 | 1.4155 |
| ATP | 1.0277 | 0.6147 | 1.0098 | 1.2637 | 0.9063 | 1.1778 |
| Behenoylglycine | 0.4592 | 1.0998 | 1.5286 | 0.7455 | 1.1570 | 1.0099 |
| Bendiocarb | 0.7541 | 0.5785 | 1.7712 | 1.0765 | 0.8403 | 0.9794 |
| Benzimidazole | 0.7123 | NA | 1.5754 | NA | NA | NA |
| beta-Alanyl-L-arginine | 0.9897 | 1.5260 | 1.2955 | 0.7354 | 0.8278 | 0.8322 |
| beta-Carboline | 0.2379 | 2.8111 | 1.2226 | 0.6093 | 0.6330 | 0.4861 |
| beta-Citryl-L-glutamic acid | 0.0170 | 0.0104 | 0.0178 | 2.1045 | 1.8773 | 1.9730 |
| Betaine | 1.4897 | 1.9265 | 1.4354 | 0.3707 | 0.3745 | 0.4032 |
| Betaine aldehyde | 0.5325 | 0.4177 | 0.4123 | 1.5708 | 1.4902 | 1.5765 |
| Biotin amide | 0.9408 | 1.3152 | 0.7440 | NA | NA | NA |
| Bis(2-ethylhexyl)phthalate | 1.0726 | 0.6390 | 0.7845 | 1.2476 | 1.2289 | 1.0275 |
| Bis(glycerophospho)-glycerol | NA | NA | NA | 0.9445 | 1.0563 | 0.9991 |
| Boc-Asn | NA | NA | 0.1137 | 0.8733 | 0.9621 | 1.4601 |
| Butenylcarnitine | 0.7611 | 0.9871 | 1.1168 | 0.9730 | 0.9458 | 1.2162 |
| Calophyllin B | 0.7615 | NA | 2.1405 | 0.2038 | 1.1825 | 0.7117 |
| Carnosine | 0.0360 | 0.0631 | 0.0359 | 1.6859 | 2.0019 | 1.8558 |
| Casein K | 1.5322 | 0.9449 | 0.8771 | 1.0995 | 0.6553 | 0.8910 |
| Casein K_2 | 0.8101 | 0.8113 | 1.4013 | 0.8660 | 1.0423 | 0.8751 |
| CDP-choline | 0.0719 | 0.0659 | 0.0620 | 1.9976 | 1.8822 | 1.9205 |
| CDP-ethanolamine | 0.2204 | 0.2900 | 0.2239 | 1.6262 | 1.6206 | 1.7590 |
| CDP-ribitol | NA | NA | NA | 1.0939 | 0.9098 | 0.9963 |
| Cerulenin | 1.3466 | 1.9443 | 1.4856 | 0.4259 | 0.4246 | 0.3729 |
| Chelilutine | 0.4412 | 0.8821 | 0.7294 | 0.5925 | 1.6516 | 1.7033 |
| Choline | 0.1443 | 0.1274 | 0.1716 | 1.7749 | 2.0447 | 1.7371 |
| Choline phosphate | 0.1288 | 0.1910 | 0.1945 | 1.7101 | 1.8738 | 1.9017 |
| cis-5-Tetradecenoylcarnitine | 0.8916 | 0.8886 | 0.8045 | 1.1991 | 1.1050 | 1.1112 |
| CMP | NA | NA | NA | 1.0816 | 1.0067 | 0.9117 |
| CMP-2-aminoethylphosphonate | 1.4037 | 1.3169 | 1.2614 | 0.7072 | 0.7146 | 0.5961 |
| CMP-N-trimethyl-2-aminoethylphosphonate | 1.8276 | 1.8643 | 1.7315 | 0.2007 | 0.1746 | 0.2013 |
| Codonopsine | 0.7296 | NA | 1.4774 | 0.7028 | NA | 0.8019 |
| Costunolide | 0.4601 | 0.7488 | 0.8387 | 1.3579 | 0.9845 | 1.4300 |
| Creatine | 0.6913 | 0.7870 | 0.7307 | 1.2416 | 1.3091 | 1.2403 |
| Creatinine | 0.9353 | 0.9571 | 0.9585 | 1.0374 | 1.0569 | 1.0548 |
| CTAB | 0.4099 | 1.2493 | 0.2767 | 0.4306 | 3.1606 | 0.4729 |
| CTP | NA | NA | NA | 1.0080 | 0.8885 | 1.1036 |
| Cyclo(deltaAla-L-Val) | 1.0609 | 1.2037 | 0.9045 | 0.9028 | 1.0052 | 0.9229 |
| cyclo-dopa 5-O-glucoside | NA | NA | NA | 1.0496 | 0.9454 | 1.0050 |
| Cyclopamine | 0.8480 | 0.4103 | 0.6047 | 3.1521 | 0.3987 | 0.5863 |
| Cys-Lys-Met-Gln | 0.9816 | 0.4238 | 1.4991 | 0.8130 | 0.7104 | 1.5720 |
| Cys-Met-Tyr-Tyr | 2.3240 | 0.4100 | NA | 1.3865 | 0.6823 | 0.1972 |
| Cys-Thr-Cys-Cys | NA | NA | 1.1248 | 0.8911 | 0.8754 | 1.0723 |
| d1-piperidine-dicarboxylate | 0.5082 | 0.6654 | 0.9529 | 1.1703 | 1.1956 | 1.5076 |
| D-2-Amino-hexano-6-lactam | 0.6256 | 0.7367 | 0.7622 | 0.7207 | 2.4700 | 0.6849 |
| Daminozide | 0.4958 | 0.0944 | 1.7985 | 0.3351 | 1.8173 | 0.8552 |
| Dasytrichone | 0.8019 | 0.1590 | 2.5787 | 0.2239 | 1.5944 | 0.6421 |
| Deacetoxycephalosporin C | NA | NA | NA | 0.8573 | 1.1759 | 0.9668 |
| Deoxyvasicinone | 0.1791 | 0.3375 | 1.0000 | 1.3651 | 1.3644 | 1.2065 |
| Dethiobiotin | 0.8025 | 1.0388 | 0.8083 | 1.0962 | 1.1690 | 1.0852 |
| D-Galactosamine | 0.8705 | 0.6393 | 1.5758 | 0.8352 | 0.6017 | 1.4775 |
| D-Galactosamine_2 | 1.6230 | 1.7068 | 1.4593 | 0.4137 | 0.3960 | 0.4012 |
| D-Glucosamine 6-phosphate | NA | NA | NA | 0.9674 | 1.0536 | 0.9790 |
| Diacetylhydrazine | 0.7518 | 0.4399 | 0.4565 | 2.0130 | 0.9619 | 1.3769 |
| Diacetylmonoxime | 0.9194 | 0.7097 | 1.6621 | 0.8819 | 0.9394 | 0.8877 |
| Diethanolamine | 0.9104 | 0.8911 | 0.7718 | 0.8638 | 1.6966 | 0.8662 |
| Diethanolamine_2 | 1.3381 | 0.6633 | 0.9331 | 1.6893 | 0.6966 | 0.6795 |
| dihydrocapsaicin | 0.1606 | 0.5061 | 1.6721 | 0.9122 | 1.0400 | 1.1495 |
| Dihydroneopterin phosphate | NA | NA | NA | 0.7892 | 0.6960 | 1.5148 |
| di-n-Undecylamine | 0.2472 | 0.0792 | 0.0612 | 1.9255 | 1.9087 | 1.7783 |
| DL-2-Aminooctanoicacid | 1.8733 | 1.8631 | 1.7484 | 0.1723 | 0.1864 | 0.1565 |
| DL-Methionine sulfone | NA | NA | 0.2154 | 1.0196 | 1.2651 | 1.2384 |
| DMNT | 1.0376 | 1.9997 | 0.9039 | 0.8032 | 0.3165 | 0.9390 |
| D-myo-Inositol 1,2-cyclic phosphate | 0.7323 | 0.8123 | 0.7604 | 0.9454 | 0.6115 | 2.1380 |
| Dopaminequinone | 1.1031 | 1.0420 | 0.9189 | 0.9545 | 1.0312 | 0.9503 |
| D-Pipecolicacid | 0.9981 | 0.7425 | 1.0224 | 1.1889 | 1.0022 | 1.0459 |
| Ectoine | 0.5284 | 0.6159 | 0.7883 | 1.2505 | 1.3579 | 1.4591 |
| Elaidiccarnitine | 1.7925 | 1.8719 | 1.5734 | 0.2533 | 0.2443 | 0.2646 |
| Epinephrinesulfate | 1.1501 | 0.7079 | 1.8799 | 0.4636 | NA | 0.6038 |
| Ergothioneine | 1.9401 | 2.2504 | 0.8006 | 0.0053 | NA | 0.0037 |
| Erythrulose 1-phosphate | 0.2316 | 0.1570 | 0.2536 | 1.2456 | 1.0663 | 1.7228 |
| [FA (14:2)] 5,8-tetradecadienal | 1.1236 | 1.9523 | 0.9883 | 0.6901 | 0.3876 | 0.8580 |
| [FA (20:2)] N-(11Z,14Z-eicosadienoyl)-ethanolamine | 0.7367 | 0.6190 | 1.4018 | 0.5320 | 1.2830 | 1.4274 |
| [FA (20:5)] 5Z,8Z,11Z,14Z,17Z-eicosapentaenoic acid | 0.5024 | 0.5124 | 0.5873 | 1.3167 | 1.5106 | 1.5706 |
| [FA (5:2)] 2,4-pentadienoic acid | 0.8810 | 1.1163 | 1.0027 | NA | NA | NA |
| [FA (6:0)] O-hexanoyl-R-carnitine | NA | NA | NA | 1.1635 | 0.8696 | 0.9669 |
| [FA (8:2)] 2,4-octadienal | 1.2729 | 1.5454 | 0.9632 | 0.7675 | 0.4924 | 0.9587 |
| [FA amino(11:0)] 11-amino-undecanoic acid | 0.9022 | 1.0545 | 1.1166 | 0.8835 | 0.9695 | 1.0737 |
| [FA hydroxy(9:1)] 4-hydroxy-2-nonenal | 0.9254 | 1.5508 | 1.1391 | 0.9214 | 0.7046 | 0.7587 |
| [FA methyl(4:1)] 3-methyl-2-butenoic acid | 0.5570 | 0.7539 | 0.5775 | 1.2774 | 1.4660 | 1.3681 |
| [FA methyl,hydroxy,ethyl,dimethyl(22:4)] N-(2R-methyl-3-hydroxy-ethyl)-16,16-dimethyl-5Z,8Z,11Z,14Z-docosatetraenoyl amine | NA | 0.5013 | 0.8777 | 1.1334 | 1.1821 | 1.3055 |
| [FA] O-Palmitoyl-R-carnitine | 1.7137 | 1.7919 | 1.4185 | 0.3634 | 0.3743 | 0.3382 |
| [FA oxo(5:1/5:0/8:0)] (1S,2S)-3-oxo-2-(2Z-pentenyl)-cyclopentaneoctanoic acid | 0.5770 | 0.5514 | 1.4054 | 0.9886 | 1.3921 | 1.0856 |
| [FA oxo(6:0)] N-(3-oxo-hexanoyl)-homoserine lactone | 0.5527 | 0.8152 | 1.3314 | 0.9627 | 1.2582 | 1.0799 |
| Fasoracetam | 1.2957 | 0.9754 | 1.2583 | 0.9671 | 0.7535 | 0.7500 |
| FMLP | NA | NA | NA | 1.1338 | 0.7605 | 1.1056 |
| Folate | 1.4637 | 0.4293 | 1.7166 | 1.0320 | 0.5063 | 0.8521 |
| Fructoselysine | 0.7620 | 0.2697 | 1.5653 | 0.8522 | 0.6060 | 1.9448 |
| Fructoselysine_2 | 0.9686 | 0.4073 | 1.9196 | 0.8213 | 0.4675 | 1.4157 |
| Fructoselysine 6-phosphate | NA | NA | NA | 0.9560 | 0.9424 | 1.1015 |
| Furfural | 0.7265 | 0.6343 | 1.4811 | 0.9373 | 0.9147 | 1.3061 |
| [Fv] Desmosdumotin C | 1.6646 | 0.0505 | 0.0594 | 1.5973 | 1.6017 | 1.0264 |
| [Fv] Homoflemingin | 1.5251 | 1.4917 | 0.8901 | 0.6824 | 0.3984 | 1.0124 |
| [Fv] Ovalitenin A | 0.9261 | 1.2804 | 1.8720 | 0.5645 | 0.6941 | 0.6629 |
| Gamma-Aminobutyryl-lysine | NA | NA | NA | NA | 1.5857 | 0.4143 |
| gamma-Glutamyl-beta-aminopropiononitrile | 0.9739 | 0.7518 | 1.0526 | 1.1470 | 0.8988 | 1.1759 |
| gamma-Glutamyl-beta-cyanoalanine | 1.0694 | 0.4500 | 2.7073 | 0.4789 | 0.6409 | 0.4702 |
| gamma-Glutamyl-Se-methylselenocysteine | 0.2499 | 0.2532 | 1.7459 | 0.7210 | 0.3017 | 1.9805 |
| GDP | 0.5882 | 0.5576 | 0.6205 | 1.5089 | 1.0430 | 1.6818 |
| Gentianaine | 0.7414 | 0.6113 | 1.5561 | 0.8550 | 1.2044 | 0.9023 |
| Glabranin | 0.8726 | 1.2559 | 2.0398 | 0.3938 | 0.5506 | 0.6852 |
| Glaucarubolone | NA | NA | 0.0887 | 1.2397 | 1.1911 | 1.1767 |
| Gln-Leu-Lys-His | NA | NA | NA | 0.5518 | 0.5868 | 1.7237 |
| Glu-Arg | 1.0697 | NA | 1.3237 | NA | NA | 0.6066 |
| Glu-Arg_2 | NA | 0.2467 | NA | 1.0964 | 1.0744 | 1.0803 |
| Glu-Asp | 0.0701 | 0.0665 | 0.0644 | 1.7589 | 2.1959 | 1.8442 |
| Glu-Glu-Glu | 0.5535 | 0.6760 | 0.5138 | 1.1191 | 1.0993 | 1.2006 |
| Glu-Gly | NA | NA | 0.1594 | 1.1444 | 1.0201 | 1.1158 |
| Glu-Lys-Val | 0.2561 | 0.3768 | 0.3227 | 1.5276 | 1.7600 | 1.7568 |
| Glu-Met-Thr | 0.2930 | 1.1298 | 0.7946 | 0.3836 | 1.7919 | 1.6072 |
| Glu-Pro | 0.5507 | 0.7685 | 0.5542 | 1.1967 | 1.4935 | 1.4364 |
| Glutathione disulfide | 0.8606 | 0.7394 | 1.1092 | 1.1770 | 1.0569 | 1.0570 |
| Glu-Thr | 1.1283 | 0.9202 | 0.9506 | 0.9770 | 1.0506 | 0.9732 |
| Glu-Val | 0.7539 | 0.5810 | 0.6235 | 1.2845 | 1.4263 | 1.3308 |
| Glycylprolylhydroxyproline | NA | NA | NA | NA | NA | 1.0000 |
| Gly-Pro-Ser | 0.8950 | 0.3690 | 1.8328 | 1.0692 | 0.6205 | 1.2136 |
| GTP | NA | NA | NA | 0.8527 | 0.9349 | 1.2124 |
| Guanidinoacetate | 0.8912 | 0.7701 | 1.0557 | 1.0467 | 1.1100 | 1.1264 |
| Gyromitrin | 1.4284 | 1.0853 | 1.3749 | 0.6520 | 0.6001 | 0.8593 |
| Heptadecanoylcarnitine | 1.5282 | 1.5440 | 1.3457 | 0.4580 | 0.5108 | 0.4503 |
| Hercynine | 2.4761 | 0.2877 | 2.2053 | 0.0174 | 0.0069 | 0.0168 |
| Hercynine_2 | 1.5904 | 2.6642 | 1.6997 | 0.0124 | 0.0178 | 0.0155 |
| Hexadecasphinganine | 0.2548 | 0.6391 | 0.3530 | 1.1397 | 2.7106 | 0.9028 |
| Hexanoylcarnitine | 0.1685 | 0.2706 | NA | 1.2048 | 1.4888 | 1.3810 |
| Hexanoylglycine | 0.9794 | 0.6550 | 0.9935 | 1.1025 | 1.2576 | 1.0119 |
| Homoarginine | 0.7177 | 0.3585 | 1.7006 | 1.0582 | 1.0778 | 1.0872 |
| Homocystine | NA | NA | 0.9975 | 1.0651 | 0.5955 | 1.2071 |
| Homostachydrine | 1.2024 | 1.3768 | 0.9845 | 0.0797 | NA | 0.2294 |
| Hydroxybutyrylcarnitine | 0.7804 | 0.8740 | 0.6565 | 1.2651 | 1.1826 | 1.2414 |
| Hypaphorine | 1.8885 | 2.2032 | 1.7661 | 0.0472 | 0.0446 | 0.0504 |
| Hypoxanthine | 0.5069 | 0.9011 | 0.3965 | 1.6754 | 1.4577 | 1.0624 |
| Ile-Met-Met-Thr | 0.9954 | 0.1400 | 2.0819 | 0.6728 | 0.3510 | 1.4722 |
| Ile-Pro | 0.9889 | 1.1153 | 1.0140 | 0.9509 | 0.9793 | 0.9517 |
| Imidazole-4-acetaldehyde | 1.0803 | 0.8139 | 1.0219 | 1.1012 | 0.8825 | 1.1002 |
| Imidazole-4-acetate | 0.9611 | 1.7233 | 0.8299 | 0.7000 | 0.8793 | 0.9064 |
| Imidazole lactate | 1.0998 | 1.2286 | 0.9749 | 0.8974 | 0.8805 | 0.9188 |
| Indole | 1.1682 | 0.9860 | 1.0193 | 0.9367 | 0.8668 | 1.0230 |
| Indole_2 | 1.0753 | 1.0731 | 1.3037 | 0.9768 | 0.7386 | 0.8325 |
| Indole-3-acetamide | 0.2358 | 0.3409 | 1.2956 | 1.3224 | 1.0964 | 1.1995 |
| indole-3-acetonitrile oxide | 0.1862 | 0.3921 | 1.2849 | 1.2847 | 1.5951 | 1.2569 |
| Indoleacrylicacid | 1.8049 | 2.2577 | 1.7714 | 0.0606 | 0.0494 | 0.0560 |
| Indoleamine | 1.2535 | 1.1364 | 0.8287 | 0.5582 | 0.9863 | 1.1798 |
| Iridodial | 0.7428 | 1.8331 | 1.2178 | 0.6468 | 0.8732 | 0.6862 |
| Isopyridoxal | 0.9264 | 1.0174 | 0.9084 | 1.0055 | 1.0672 | 1.0751 |
| Isoquinoline | 0.9186 | 1.0925 | 0.9888 | NA | NA | NA |
| Isovalerylalanine | NA | 1.0256 | 1.0995 | 0.9749 | 0.9218 | 1.0407 |
| (-)-jasmonoyl-L-isoleucine | NA | 0.2840 | 0.9770 | 1.4432 | 1.0322 | 1.0250 |
| ketoconazol | NA | NA | 0.4759 | 1.2363 | 1.0484 | 1.0647 |
| L-1-Pyrroline-3-hydroxy-5-carboxylate | 0.8127 | 0.5257 | 0.9144 | 1.2680 | 1.1351 | 1.3443 |
| L-1-Pyrroline-3-hydroxy-5-carboxylate_2 | 1.3766 | 0.8299 | 1.6963 | 0.7623 | 0.5376 | 0.7974 |
| L-2-Amino-6-oxoheptanedioate | 0.8730 | 1.2135 | 1.2447 | 0.7930 | 0.9410 | 0.9173 |
| Lactosamine | 0.5401 | 0.4904 | 2.1251 | 0.5423 | 0.4820 | 1.8202 |
| L-a-glutamyl-L-Lysine | 0.1391 | 0.1988 | 0.2756 | 1.3242 | 1.3799 | 1.3584 |
| L-Alanine | 0.8145 | 0.6441 | 0.8708 | 1.2822 | 1.1064 | 1.2820 |
| L-Arginine | 1.2676 | 0.7246 | 1.4681 | 0.9550 | 0.6757 | 0.9089 |
| L-Asparagine | 0.7801 | 0.5962 | 0.8510 | 1.2865 | 1.2502 | 1.2359 |
| L-Carnitine | 1.0820 | 1.2607 | 1.1751 | 0.8043 | 0.8467 | 0.8312 |
| L-Citrulline | 1.7618 | 2.1647 | 1.5059 | 0.1472 | 0.2506 | 0.1697 |
| Leu-Ala | 1.8298 | 2.1979 | 1.7964 | 0.0502 | 0.0616 | 0.0642 |
| Leu-Asn-Ser | 0.7784 | NA | 1.7288 | 0.5774 | NA | 0.3236 |
| Leu-Asp | 0.4297 | 0.4568 | 0.3949 | 1.4436 | 1.6342 | 1.6407 |
| Leu-Asp-Gln | 0.5239 | NA | 1.3174 | NA | NA | NA |
| Leucyl-leucine | 1.0045 | 1.1054 | 0.9231 | 1.1509 | 0.9324 | 0.8837 |
| Leu-Gly-Ser | NA | NA | 1.0000 | NA | NA | NA |
| Leu-Leu-Pro | 0.8936 | 0.7734 | 1.1896 | 0.8559 | 1.1498 | 1.1377 |
| Leu-Lys-Asp | 1.8300 | 1.7130 | 1.6835 | 0.2443 | 0.2506 | 0.2786 |
| Leu-Lys-Pro | 1.3583 | 1.6286 | 1.4618 | 0.5596 | 0.4904 | 0.5011 |
| Leu-Pro | 1.0024 | 1.3080 | 0.9601 | 0.8889 | 0.9587 | 0.8819 |
| Leu-Ser | NA | 0.7809 | 0.7894 | 0.8756 | 1.2700 | 1.2111 |
| Leu-Thr-Thr | NA | NA | NA | NA | 1.0979 | 0.9021 |
| Leu-Val-Gly | NA | NA | NA | 0.8768 | 0.7224 | 1.4008 |
| L-Glutamate | 1.0111 | 0.5901 | 1.2326 | 1.1444 | 0.9249 | 1.0969 |
| L-Glutamate methylester | 0.2904 | 0.3356 | 0.3937 | 0.9138 | 1.2731 | 1.6466 |
| L-Glutamine | 0.6876 | 0.5262 | 0.7615 | 1.3628 | 1.3246 | 1.3372 |
| L-glycyl-L-hydroxyproline | 1.1343 | 0.6808 | 0.7664 | 1.1132 | 1.0949 | 1.2105 |
| L-Histidine | 1.1345 | 0.8766 | 1.5787 | 0.8267 | 0.6319 | 0.9516 |
| L-Homocitrulline | 1.0383 | 1.1400 | 0.8216 | NA | NA | NA |
| L-Homocitrulline_2 | 1.0008 | 0.8895 | 0.9442 | 1.0711 | 0.8623 | 1.2321 |
| Lichenin | 0.7737 | 0.7015 | 1.6896 | 0.8266 | 0.6594 | 1.3491 |
| Linamarin | 1.0075 | 1.0643 | 1.1321 | NA | NA | 0.3881 |
| Linatine | 1.0814 | 0.1252 | 2.2782 | 0.6941 | 0.3774 | 1.4437 |
| L-Indospicine | 1.6652 | 1.3667 | 0.9166 | 0.8737 | 0.4479 | 0.7299 |
| Linoelaidylcarnitine | 1.9080 | 1.9241 | 1.2483 | 0.3213 | 0.2950 | 0.3032 |
| L-Kynurenine | 0.5902 | 0.9964 | 1.2494 | 1.2946 | 0.8298 | NA |
| L-Leucine | 1.0802 | 0.7862 | 1.1879 | 1.0259 | 0.8853 | 1.0345 |
| L-Lysine | 1.0505 | 0.7514 | 1.1736 | 1.0114 | 0.9561 | 1.0570 |
| L-Lysine 1,6-lactam | 0.9306 | 0.3340 | 2.6769 | 0.3532 | 1.1228 | 0.5824 |
| L-Methionine | 1.1689 | 0.8929 | 1.1802 | 1.0112 | 0.7191 | 1.0278 |
| L-Methionine S-oxide | 0.3065 | 0.7513 | 0.6642 | 1.0251 | 1.8516 | 1.4012 |
| Lophophorine | 0.6139 | 0.9709 | 2.0161 | 0.6306 | 0.7748 | 0.7475 |
| L-Ornithine | 0.8077 | 0.8388 | 0.8082 | 1.0838 | 1.1483 | 1.3132 |
| L-Phenylalanine | 1.0573 | 1.0695 | 1.1756 | 0.9219 | 0.8340 | 0.9416 |
| L-Pipecolate | 1.2205 | 1.2509 | 1.2640 | 0.7673 | 0.7654 | 0.7318 |
| L-Pipecolate_2 | 0.3369 | 0.3072 | 0.3798 | 1.5869 | 1.6499 | 1.7394 |
| L-Proline | 0.9745 | 0.8487 | 1.0941 | 0.9852 | 1.0131 | 1.0845 |
| L-proline amide | 0.9122 | 0.7065 | 1.4333 | 0.6378 | 1.1700 | 1.1403 |
| L-Serine | 0.6886 | 0.6066 | 0.7940 | 1.2260 | 1.3953 | 1.2896 |
| L-thiazolidine-4-carboxylate | 1.3818 | 0.5739 | 1.1243 | 1.3416 | 0.4218 | 1.1567 |
| L-Tryptophan | 1.2144 | 0.9594 | 1.0652 | 0.9016 | 0.8038 | 1.0557 |
| L-Tyrosine | 1.1061 | 0.9315 | 1.1213 | 0.9548 | 0.9244 | 0.9618 |
| L-Tyrosyl-L-arginine | NA | NA | NA | 0.8791 | 1.2644 | 0.8565 |
| L-Valine | 1.0623 | 1.0213 | 1.0979 | 0.9233 | 0.9406 | 0.9545 |
| Lys-Asn-Gly | NA | 0.1129 | NA | 0.9963 | 1.2450 | 1.0544 |
| Lys-Asp-Gly | 0.8885 | 1.1917 | 0.8711 | 1.0082 | 1.1112 | 0.9293 |
| Lysergic acid | 1.6188 | 1.4240 | 1.0577 | 0.6423 | 0.5527 | 0.5554 |
| Lys-Lys-Met-Pro | 1.3325 | 0.5262 | 0.2052 | 1.3331 | 1.2599 | 0.4395 |
| LysoPC(17:0) | 1.1580 | 1.0193 | 0.9156 | 1.0177 | 0.9139 | 0.9754 |
| LysoPC(18:0) | 1.0828 | 1.0194 | 0.9147 | 1.0800 | 0.9249 | 0.9783 |
| LysoPC(18:1(9Z)) | 0.9506 | 0.8327 | 0.7839 | 1.1127 | 1.1626 | 1.1576 |
| LysoPC(20:1(11Z)) | 1.1541 | 0.9988 | 0.9661 | 1.0512 | 0.8760 | 0.9539 |
| LysoPC(20:4(5Z,8Z,11Z,14Z)) | 0.4066 | 0.4097 | 0.2684 | 1.5943 | 1.7769 | 1.5441 |
| LysoPC(22:4(7Z,10Z,13Z,16Z)) | 0.2445 | 0.2484 | 0.1818 | 1.7378 | 1.8709 | 1.7166 |
| LysoPC(O-18:0) | 1.0099 | 0.8767 | 0.8008 | 1.2049 | 1.0919 | 1.0158 |
| LysoPE(0:0/18:2(9Z,12Z)) | 0.5934 | 0.6706 | 0.5606 | 1.3620 | 1.5415 | 1.2719 |
| LysoPE(0:0/20:5(5Z,8Z,11Z,14Z,17Z)) | 0.2709 | 0.3789 | 0.2124 | 1.4656 | 1.9859 | 1.6863 |
| LysoPE(0:0/22:4(7Z,10Z,13Z,16Z)) | 0.2865 | 0.3507 | 0.2444 | 1.6000 | 1.8699 | 1.6485 |
| LysoPE(0:0/22:5(4Z,7Z,10Z,13Z,16Z)) | 0.4604 | 0.5677 | 0.3733 | 1.5072 | 1.6216 | 1.4699 |
| LysoPE(0:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z)) | 0.5538 | 0.6368 | 0.4433 | 1.4168 | 1.5387 | 1.4107 |
| Lys-Pro | NA | NA | NA | NA | 1.4117 | 0.3825 |
| Lys-Ser-Ser-Ser | NA | NA | 1.1431 | NA | NA | 0.8569 |
| Lys-Trp-Asn | NA | 0.1425 | 0.1716 | 1.3758 | 1.1276 | 1.3347 |
| Lys-Val | 0.4773 | 0.4688 | 0.5149 | 1.5097 | 1.5542 | 1.4750 |
| Lys-Val-Val | 1.8072 | 1.1741 | 1.1919 | 0.7250 | 0.4076 | 0.6943 |
| Maleimide | NA | NA | NA | 1.0591 | 0.8719 | 1.0691 |
| Maltose | NA | NA | NA | 0.9710 | 1.0123 | 1.0167 |
| Medicagol | 1.0844 | 0.7316 | 0.8848 | 1.1456 | 1.0988 | 1.0548 |
| Met-Ala-Gly | 0.9628 | 1.4290 | 0.6082 | NA | NA | NA |
| Met-Ala-Tyr | 0.3822 | NA | 1.4231 | NA | NA | 0.7828 |
| Met-Asp-Gly | 0.6743 | 0.6020 | 1.3498 | NA | NA | NA |
| Met-Gly | NA | NA | 0.4536 | 0.7732 | 1.6015 | 1.1717 |
| methiin | 1.0040 | 0.6641 | 0.9232 | 1.1426 | 1.0691 | 1.1971 |
| Methyl 2-diazoacetamidohexonate | 0.8574 | 1.0153 | 1.1273 | NA | NA | NA |
| Methyl cinnamate | 0.5603 | 3.4242 | 0.3693 | 0.3806 | 0.4470 | 0.8187 |
| Met-Met-Gln | NA | NA | NA | 1.0683 | 0.8869 | 1.0448 |
| Met-Met-Met | 0.7372 | 0.8772 | 0.1794 | 1.1946 | 1.2661 | 1.1985 |
| Met-Met-Val | 1.0380 | 0.1209 | 2.3525 | 0.6926 | 0.3512 | 1.4448 |
| Met-Thr-Asp | 0.4614 | 0.5563 | 0.5277 | 1.4405 | 1.4780 | 1.5361 |
| Met-Trp-Trp-Tyr | NA | NA | 1.0755 | NA | NA | 0.9245 |
| mildronate | 0.2921 | 0.3137 | 0.5748 | 1.2828 | 1.8852 | 1.6513 |
| N1-Methyl-2-pyridone-5-carboxamide | 1.0926 | 0.8870 | 1.0656 | 1.0824 | 0.8751 | 0.9972 |
| N1-Methyl-4-pyridone-5-carboxamide | 0.5851 | NA | 1.2766 | NA | NA | NA |
| N1,N8-diacetylspermidine | 0.1025 | 0.1464 | 0.0941 | 1.7188 | 1.3944 | 1.9426 |
| N-(2,3-Dihydroxybenzoyl)-L-serine | NA | NA | NA | 0.9526 | 1.0862 | 0.9612 |
| N2-Acetyl-L-lysine | 0.8875 | 0.9877 | 0.9837 | 0.9793 | 1.0511 | 1.1106 |
| N2-(D-1-Carboxyethyl)-L-arginine | 1.2333 | 1.3342 | 1.0649 | 0.7998 | 0.8307 | 0.7370 |
| N2-(D-1-Carboxyethyl)-L-lysine | 0.5102 | 0.4905 | 0.5940 | 1.4113 | 1.4756 | 1.5185 |
| N2-Succinyl-L-arginine | 1.0879 | NA | 1.3904 | 0.7659 | NA | 0.6336 |
| N2-Succinyl-L-ornithine | 0.7332 | 0.5331 | 0.6500 | 1.4207 | 1.2872 | 1.3758 |
| N3-(4-methoxyfumaroyl)-L-2,3-diaminopropanoate | 1.1125 | 0.7519 | 1.3860 | 1.0923 | 0.5684 | 1.0889 |
| N-(3-acetamidopropyl)-4-aminobutanal | 0.5371 | 0.6248 | 0.6009 | 0.8436 | 1.6567 | 1.7369 |
| N-(3-Oxooctanoyl)homoserine lactone | NA | NA | 0.5629 | 1.2814 | 1.0073 | 1.1484 |
| N4-Acetylaminobutanal | 1.0139 | 0.6835 | 1.8109 | 0.6515 | 0.8301 | 1.0100 |
| N5-acetyl-N5-hydroxy-L-ornithine | 0.9368 | 0.5604 | 1.2950 | 0.4891 | 1.7293 | 0.9894 |
| N5-(L-1-Carboxyethyl)-L-ornithine | 0.6922 | 0.9011 | 1.0348 | 0.9960 | 0.9678 | 1.4082 |
| N6-Acetyl-L-lysine | 0.8803 | 1.4016 | 0.8549 | 0.8568 | 1.0499 | 0.9564 |
| N6-Acetyl-N6-hydroxy-L-lysine | 0.8798 | 0.3370 | 1.4243 | 1.2301 | 0.8266 | 1.3023 |
| N6-Acetyl-N6-hydroxy-L-lysine_2 | NA | NA | 1.3079 | NA | 0.9526 | 0.2184 |
| N6-Hydroxy-L-lysine | NA | NA | 0.2778 | 0.6110 | 1.5696 | 1.5417 |
| N6-Methyl-L-lysine | 0.6036 | 0.4941 | 0.5291 | 1.3076 | 1.6399 | 1.4258 |
| N6,N6-Dimethyladenosine | NA | NA | NA | 0.9033 | 0.3652 | 1.5200 |
| N6,N6,N6-Trimethyl-L-lysine | 0.2412 | 0.2500 | 0.2443 | 1.8937 | 1.6927 | 1.6782 |
| N-Acetyl-ala-ala-ala-methylester | NA | NA | 1.0000 | NA | NA | NA |
| N-Acetyl-aspartyl-glutamate | 0.8312 | NA | 0.7468 | 1.2022 | 0.5681 | 1.6517 |
| N-Acetyl-aspartyl-glutamate_2 | 1.0620 | 0.6384 | 1.4220 | NA | NA | 0.6327 |
| N-Acetyl-aspartyl-glutamate_3 | NA | NA | NA | 0.9646 | 0.9837 | 1.0517 |
| N-acetyl-demethylphophinothricin | 1.4654 | 0.8285 | 0.8554 | 0.7673 | 0.8198 | 1.2036 |
| N-acetyl -D- glucosaminitol | 1.0464 | 1.1293 | 0.9819 | 0.8765 | 1.0072 | 0.9588 |
| N-acetyl -D- glucosaminitol_2 | 0.2938 | 0.4397 | 0.2645 | 1.5270 | 1.8134 | 1.6616 |
| N-Acetylindoxyl | 1.5318 | 1.0320 | 1.3656 | 0.8035 | 0.5663 | 0.7008 |
| N-acetyl-(L)-arginine | 0.8757 | 0.7057 | 1.2096 | 0.9255 | 0.9969 | 1.2866 |
| N-Acetyl-L-citrulline | 1.4205 | 0.7928 | 1.6730 | 0.7623 | 0.5660 | 0.7853 |
| N-Acetyl-L-glutamate | 0.3748 | 0.5298 | 0.3638 | 1.4816 | 1.6095 | 1.4839 |
| N-Acetylornithine | 0.6502 | 1.7443 | 0.6839 | 0.8305 | 0.5413 | 1.5498 |
| N-Acetylputrescine | 0.4851 | 0.3287 | 0.8225 | 1.3477 | 1.4416 | 1.5744 |
| N-Acetylvanilalanine | NA | NA | NA | NA | NA | 1.0000 |
| NAD+ | 0.5087 | 0.4574 | 0.4427 | 1.5235 | 1.4257 | 1.6420 |
| NADP+ | 0.8603 | 0.7677 | 0.8429 | 1.2043 | 1.0781 | 1.2468 |
| N-Benzyloxycarbonylglycine | 1.2596 | 0.9244 | 1.3344 | 0.7828 | 0.6686 | 1.0302 |
| N-Carbamoyl-L-aspartate | 1.0685 | 1.1286 | 1.0211 | 0.9712 | 0.8081 | 1.0026 |
| N-Carbamyl-L-glutamate | 0.1475 | 0.1923 | 0.1853 | 1.6976 | 1.9743 | 1.8030 |
| N-Decanoylglycine | 0.5913 | 0.9204 | 1.8037 | 0.7287 | 0.9396 | 1.0162 |
| N-dimethylethanolamine | 1.1415 | 1.0707 | 1.0291 | 0.9231 | 0.8543 | 0.9812 |
| Ne,Ne dimethyllysine | 0.1526 | 0.1440 | 0.1478 | 1.9343 | 1.8028 | 1.8184 |
| Neopterin | 0.0562 | 0.0683 | 0.0609 | 1.2704 | 1.3044 | 1.3634 |
| N-Ethylglycocyamine | 0.8035 | 1.0917 | 1.5008 | 0.7750 | 0.7151 | 1.1139 |
| N-Ethylmaleimide | 0.3325 | NA | 0.3806 | 1.6849 | 0.9514 | 0.7765 |
| N-Ethylmaleimide_2 | 0.6698 | 0.6167 | 0.5415 | 1.4440 | 1.4896 | 1.2384 |
| N-ethylsuccinimide | 0.9753 | 0.8313 | 1.3005 | 0.8629 | 1.1000 | 0.9300 |
| N-Formimino-L-glutamate | 1.1287 | 0.8024 | 0.6766 | 1.4246 | 0.8083 | 1.1594 |
| NG,NG-Dimethyl-L-arginine | 0.1760 | 0.1471 | 0.2001 | 1.8405 | 1.7535 | 1.8828 |
| N-Heptanoylhomoserine lactone | 0.6527 | 0.7387 | 1.2457 | 1.0345 | 1.1810 | 1.1474 |
| N-hydroxyvaline | 0.4564 | 0.6717 | 0.3888 | 1.7742 | 1.2628 | 1.4461 |
| Nicotinamide | 1.5100 | 0.7610 | 1.4342 | 0.9163 | 0.5753 | 0.8031 |
| nicotinamide riboside | 1.1108 | 1.1343 | 1.1004 | 0.9455 | 1.0260 | 0.9133 |
| nitrocyclohexane | 1.2407 | 0.8255 | 1.0728 | 0.9306 | 0.8843 | 1.0461 |
| N,N-Dimethylglycine | 0.8653 | 0.9970 | 0.9404 | 1.0347 | 1.0792 | 1.0834 |
| N-Nonanoylglycine | 1.0927 | 1.2100 | 0.9885 | 0.9478 | 1.0246 | 0.7364 |
| N-(octanoyl)-L-homoserine | 0.5326 | 0.6296 | 0.6326 | 1.3406 | 1.5057 | 1.3589 |
| nornorcapsaicin | 0.6634 | 1.0641 | 1.7608 | 0.6945 | 0.9095 | 0.9077 |
| N-palmitoyl phenylalanine | 0.5791 | 1.3629 | 1.6966 | 0.7273 | 0.8115 | 0.8226 |
| N(pi)-Methyl-L-histidine | 1.1160 | 0.8078 | 1.1316 | 0.9846 | 0.9144 | 1.0455 |
| N-stearoyl histidine | NA | NA | NA | 0.9509 | 1.1417 | 0.9075 |
| N-stearoyl tyrosine | 1.1044 | 1.2433 | 0.6524 | NA | NA | NA |
| N-succinyl-L-citrulline | 1.3458 | 0.2397 | 2.9946 | 0.3262 | 0.5247 | 0.5690 |
| N-α-acetyl-arginine | 0.9381 | 0.8159 | 1.3598 | 0.9156 | 0.6645 | 0.9462 |
| O-Acetylcarnitine | 0.3533 | 0.3999 | 0.3273 | 1.6822 | 1.5923 | 1.6449 |
| O-Acetylcarnitine_2 | 0.7145 | 0.4558 | 1.9613 | 0.7556 | 0.6486 | 1.4642 |
| O-Acetylneuraminic acid | 0.9921 | 0.4966 | 1.9144 | 0.7309 | 0.6159 | 1.2501 |
| O-Butanoylcarnitine | 0.9702 | 0.9069 | 0.9027 | 1.1275 | 1.0422 | 1.0505 |
| Octylamine | 0.7711 | 2.0024 | 1.3277 | 0.6642 | 0.2945 | 0.9400 |
| O-Phospho-L-serine | NA | NA | NA | 0.9199 | 0.9762 | 1.1038 |
| O-Propanoylcarnitine | 1.1800 | 1.4464 | 1.1557 | 0.7259 | 0.7253 | 0.7666 |
| O-Succinyl-L-homoserine | 0.2979 | 0.1782 | 0.6250 | 1.3251 | 1.1337 | 2.4401 |
| O-Succinyl-L-homoserine_2 | 0.6826 | 0.4793 | 0.7105 | 1.0109 | 1.1693 | 1.9474 |
| Ovothiol disulfide | 1.0917 | 1.5954 | 0.3129 | NA | NA | NA |
| p-aminobenzoyl glutamate | 0.7153 | NA | 1.3745 | 1.1586 | 0.6347 | 1.1169 |
| [PC (14:0/18:1)] 1-tetradecanoyl-2-(11Z-octadecenoyl)-sn-glycero-3-phosphocholine | 0.8299 | 0.8367 | 0.7897 | 1.1738 | 1.2094 | 1.1605 |
| [PC (14:0/18:2)] 1-tetradecanoyl-2-(9Z,12Z-octadecadienoyl)-sn-glycero-3-phosphocholine | 1.0733 | 1.0525 | 0.8224 | 1.1212 | 0.8348 | 1.0957 |
| [PC (14:0)] 1-tetradecanoyl-sn-glycero-3-phosphocholine | 1.1088 | 0.9296 | 0.9642 | 1.1076 | 0.8463 | 1.0434 |
| PC(14:1(9Z)/15:0) | 1.7508 | 1.6550 | 1.2191 | 0.4614 | 0.3379 | 0.5758 |
| [PC (15:0/15:0)] 1,2-dipentadecanoyl-sn-glycero-3-phosphocholine | 1.0269 | 1.0195 | 1.0271 | 0.9580 | 0.9859 | 0.9826 |
| [PC (15:0)] 1-pentadecanoyl-sn-glycero-3-phosphocholine | 0.8721 | 1.0185 | 0.9498 | 1.1228 | 0.9356 | 1.1012 |
| [PC (16:0/16:0)] 1-hexadecanoyl-2-hexadecanoyl-sn-glycero-3-phosphocholine | 0.4865 | 0.4917 | 0.5186 | 1.5143 | 1.5004 | 1.4885 |
| [PC (16:0/18:1)] 1-hexadecanoyl-2-(11Z-octadecenoyl)-sn-glycero-3-phosphocholine | 0.9163 | 0.9774 | 0.8985 | 1.0459 | 1.0956 | 1.0663 |
| [PC (16:0/18:2)] 1-hexadecanoyl-2-(9Z,12Z-octadecadienoyl)-sn-glycero-3-phosphocholine | 1.4759 | 1.4298 | 1.2127 | 0.6640 | 0.6183 | 0.5993 |
| [PC (16:0/18:3)] 1-hexadecanoyl-2-(9Z,12Z,15Z-octadecatrienoyl)-sn-glycero-3-phosphocholine | 1.2214 | 1.0448 | 0.8991 | 0.9714 | 0.9788 | 0.8845 |
| [PC (16:0)] 1-hexadecanoyl-sn-glycero-3-phosphocholine | 1.0721 | 1.0414 | 0.9509 | 1.0717 | 0.9064 | 0.9575 |
| [PC (16:0/20:4)] 1-hexadecanoyl-2-(5Z,8Z,11Z,14Z-eicosatetraenoyl)-sn-glycero-3-phosphocholine | 0.7249 | 0.6609 | 0.5155 | 1.4809 | 1.3099 | 1.3079 |
| [PC (16:0/22:6)] 1-hexadecanoyl-2-(4Z,7Z,10Z,13Z,16Z,19Z-docosahexaenoyl)-sn-glycero-3-phosphocholine | 1.3557 | 1.2976 | 0.9430 | 0.8952 | 0.7425 | 0.7659 |
| [PC (16:0/3:0)] 1-hexadecanoyl-2-(2E-propionyl)-sn-glycero-3-phosphocholine | NA | 0.5611 | 0.8454 | NA | 1.3729 | 0.8476 |
| PC(16:0/5:0(CHO)) | 0.1487 | 0.4790 | 0.9054 | 1.2732 | 1.4700 | 1.7237 |
| PC(16:0/5:0(COOH)) | 0.1913 | 0.7728 | 0.8861 | 0.9798 | 1.5213 | 1.6487 |
| PC(16:0/P-18:1(11Z)) | 1.3916 | 1.2064 | 1.1954 | 0.8147 | 0.6688 | 0.7230 |
| [PC (16:1)] 1-(1Z-hexadecenyl)-sn-glycero-3-phosphocholine | 1.8555 | 1.2814 | 1.1817 | 0.6465 | 0.4446 | 0.4051 |
| [PC (16:2)] 1-hexadecyl-sn-glycero-3-phosphocholine | 1.0557 | 0.9701 | 0.9383 | 1.1020 | 0.9360 | 0.9979 |
| [PC (18:0/22:4)] 1-octadecanoyl-2-(7Z,10Z,13Z,16Z-docosatetraenoyl)-sn-glycero-3-phosphocholine | 0.9232 | 0.7935 | 0.7334 | 1.2943 | 1.1772 | 1.0786 |
| [PC (18:0/22:5)] 1-octadecanoyl-2-(4Z,7Z,10Z,13Z,16Z-docosapentaenoyl)-sn-glycero-3-phosphocholine | 1.0474 | 1.1088 | 0.8816 | 1.0481 | 0.8675 | 1.0467 |
| PC(18:0/P-18:1(11Z)) | NA | NA | 0.1445 | 1.0802 | 1.1997 | 1.0053 |
| [PC (18:1)] 1-(11Z-octadecenyl)-sn-glycero-3-phosphocholine | 1.1644 | 0.9680 | 0.8558 | 1.1443 | 0.9200 | 0.9474 |
| [PC (18:1/18:1)] 1-(9Z-octadecenoyl)-2-(9Z-octadecenoyl)-sn-glycero-3-phosphocholine | 1.5207 | 1.5090 | 1.3339 | 0.5541 | 0.5302 | 0.5522 |
| [PC (18:1/20:3)] 1-(9Z-octadecenoyl)-2-(5Z,8Z,11Z-eicosatrienoyl)-sn-glycero-3-phosphocholine | 0.8706 | 0.7728 | 0.6142 | 1.2971 | 1.2372 | 1.2081 |
| [PC (18:1/22:5)] 1-(11Z-octadecenoyl)-2-(7Z,10Z,13Z,16Z,19Z-docosapentaenoyl)-sn-glycero-3-phosphocholine | 1.3306 | 1.2752 | 0.9901 | 0.9665 | 0.7130 | 0.7247 |
| [PC (18:2)] 1-(9Z,12Z-octadecadienoyl)-sn-glycero-3-phosphocholine | 1.2975 | 1.1138 | 0.9301 | 0.9983 | 0.7819 | 0.8785 |
| [PC (19:3)] 1-(10Z,13Z,16Z-nonadecatrienoyl)-sn-glycero-3-phosphocholine | 0.0250 | NA | 0.0449 | 1.1491 | 1.3306 | 1.1637 |
| PC(22:2(13Z,16Z)/P-18:1(11Z)) | 0.8202 | 0.6315 | 0.7048 | 1.4227 | 1.1480 | 1.1745 |
| PC(22:4(7Z,10Z,13Z,16Z)/P-18:0) | 0.6414 | 0.5964 | 0.4821 | 1.5905 | 1.3282 | 1.3614 |
| PC(22:4(7Z,10Z,13Z,16Z)/P-18:1(11Z)) | 0.6057 | 0.5175 | 0.5361 | 1.5925 | 1.3413 | 1.2523 |
| [PC (22:6)] 1-(4Z,7Z,10Z,13Z,16Z,19Z-docosahexaenoyl)-sn-glycero-3-phosphocholine | 0.9520 | 0.7986 | 0.4077 | 1.3363 | 1.3320 | 1.1735 |
| [PC acetyl(16:1)] 1-(9Z-hexadecenoyl)-2-acetyl-sn-glycero-3-phosphocholine | 0.2410 | 0.3149 | 0.6153 | 1.5902 | 1.5586 | 1.6800 |
| [PE (16:0/16:0)] 1,2-dihexadecanoyl-sn-glycero-3-phosphoethanolamine | 1.3948 | 1.8544 | 1.5253 | 0.3739 | 0.3824 | 0.4691 |
| [PE (16:0/18:2)] 1-hexadecanoyl-2-(9Z,12Z-octadecadienoyl)-sn-glycero-3-phosphoethanolamine | 1.4520 | 1.1365 | 1.2801 | 0.6695 | 0.7156 | 0.7463 |
| [PE (16:0/18:3)] 1-hexadecanoyl-2-(9Z,12Z,15Z-octadecatrienoyl)-sn-glycero-3-phosphoethanolamine | 1.6408 | 1.5417 | 0.9937 | 0.6338 | 0.5599 | 0.6300 |
| [PE (16:0/20:4)] 1-hexadecanoyl-2-(5Z,8Z,11Z,14Z-eicosatetraenoyl)-sn-glycero-3-phosphoethanolamine | 1.0749 | 1.0304 | 0.7406 | 1.0894 | 1.0479 | 1.0167 |
| [PE (16:0/22:6)] 1-hexadecanoyl-2-(4Z,7Z,10Z,13Z,16Z,19Z-docosahexaenoyl)-sn-glycero-3-phosphoethanolamine | 1.1073 | 1.1378 | 0.7688 | 1.1329 | 0.9285 | 0.9248 |
| [PE (18:0)] 1-octadecanoyl-sn-glycero-3-phosphoethanolamine | 0.9030 | 0.8618 | 0.8292 | 1.1619 | 1.1226 | 1.1215 |
| [PE (18:1)] 1-(9Z-octadecenoyl)-sn-glycero-3-phosphoethanolamine | 0.3317 | 0.5122 | 0.4002 | 1.4107 | 1.8948 | 1.4503 |
| [PE (18:1/20:4)] 1-(1Z-octadecenyl)-2-(5Z,8Z,11Z,14Z-eicosatetraenoyl)-sn-glycero-3-phosphoethanolamine | 1.5708 | 1.5387 | 1.1271 | 0.7684 | 0.4428 | 0.5522 |
| PE(18:3(6Z,9Z,12Z)/P-18:1(11Z)) | 1.7739 | 1.6104 | 1.1074 | 0.6749 | 0.3526 | 0.4808 |
| [PE (20:4)] 1-(5Z,8Z,11Z,14Z-eicosatetraenoyl)-sn-glycero-3-phosphoethanolamine | 0.3042 | 0.3888 | 0.2602 | 1.5910 | 1.8462 | 1.6096 |
| PE(20:4(5Z,8Z,11Z,14Z)/P-18:1(11Z)) | 1.7211 | 1.5257 | 1.0440 | 0.7718 | 0.4194 | 0.5180 |
| PE(22:4(7Z,10Z,13Z,16Z)/P-18:1(11Z)) | 1.8554 | 1.5701 | 0.9725 | 0.6742 | 0.4356 | 0.4922 |
| Perillyl alcohol | 1.0520 | 1.9193 | 1.0576 | 0.6828 | 0.4169 | 0.8714 |
| Phe-Gly | 1.8692 | 1.1491 | 1.1573 | 0.7720 | 0.4562 | 0.5961 |
| Phenylethylmalonamide | 1.9590 | 1.1047 | 1.1828 | 0.7672 | 0.3392 | 0.6471 |
| Phe-Pro | 1.0490 | 1.0379 | 0.9131 | NA | NA | NA |
| Phe-Trp | 0.6650 | 0.4993 | 0.9037 | 1.3212 | 1.1752 | 1.4354 |
| Phosphocreatine | 0.0509 | 0.0481 | 0.0481 | 1.9572 | 1.9269 | 1.9689 |
| Phosphonoacetaldehyde | 0.6750 | 0.6337 | 0.6335 | 1.2095 | 1.3734 | 1.4750 |
| Picolinamide | 0.5021 | 0.5421 | 0.5877 | 1.4610 | 1.4395 | 1.4676 |
| Piperidine | 0.8185 | 0.5190 | 0.7460 | 1.1741 | 1.2332 | 1.5093 |
| Pro-Arg-His | 0.8783 | 0.8578 | 1.0302 | 1.0700 | 1.0450 | 1.1187 |
| Pro-Arg-His_2 | 0.9654 | 1.0483 | 1.0359 | 0.9695 | 0.9414 | 1.0395 |
| Pro-Pro | 0.2819 | 0.2585 | 1.8642 | 1.2859 | 1.0271 | 1.2825 |
| Pro-Ser-Ser | 1.6490 | 1.6851 | 0.7575 | 0.5943 | 0.5926 | 0.7216 |
| Protoporphyrin | NA | NA | NA | 1.0428 | 0.9124 | 1.0448 |
| PS(12:0/15:0) | 0.3397 | 1.0798 | 1.7702 | 0.7157 | 1.0075 | 1.0872 |
| PS(18:0/18:1(9Z)) | 0.4675 | 0.9304 | 1.5825 | 0.7687 | 1.1313 | 1.1195 |
| [PS (18:0/20:4)] 1-octadecanoyl-2-(5Z,8Z,11Z,14Z-eicosatetraenoyl)-sn-glycero-3-phosphoserine | 1.1181 | 0.9911 | 0.7563 | 1.1374 | 1.0072 | 0.9900 |
| PS(18:0/22:5(7Z,10Z,13Z,16Z,19Z)) | 1.6152 | 1.4086 | 1.0481 | 0.7084 | 0.6049 | 0.6149 |
| PS(22:1(11Z)/0:0) | 0.2494 | 0.8362 | 1.4491 | 0.9763 | 1.2244 | 1.2646 |
| PS(36:2) | 0.6082 | 0.6778 | 2.2344 | 0.8401 | 0.6891 | 0.9504 |
| PS(38:2) | 0.2222 | 0.6929 | 1.7086 | 0.8434 | 1.3317 | 1.2012 |
| PS(38:5) | 1.0357 | 0.8936 | 0.6365 | 1.2270 | 1.1261 | 1.0811 |
| PS(40:4) | 1.4351 | 1.3013 | 0.9576 | 0.8052 | 0.7541 | 0.7467 |
| psicoselysine | 0.7759 | 0.3133 | 1.6111 | 0.9878 | 0.6739 | 1.6380 |
| PS(O-16:0/22:2(13Z,16Z)) | 0.3420 | 0.7775 | 1.1587 | 1.1066 | 1.3387 | 1.2765 |
| PS(O-18:0/20:3(8Z,11Z,14Z)) | 0.3346 | 0.6111 | 0.9658 | 1.1687 | 1.5336 | 1.3861 |
| PS(O-18:0/20:5(5Z,8Z,11Z,14Z,17Z)) | NA | NA | NA | 0.8603 | 1.0988 | 1.0408 |
| PS(O-18:0/22:4(7Z,10Z,13Z,16Z)) | 0.2297 | 0.4474 | 0.3818 | 1.3827 | 1.9770 | 1.5815 |
| PS(O-20:0/20:5(5Z,8Z,11Z,14Z,17Z)) | NA | 0.2885 | 0.2519 | 1.1911 | 1.5294 | 1.2405 |
| Pyridoxal | 1.0844 | 1.5359 | 1.2112 | 0.7513 | 0.7459 | 0.6712 |
| Pyridoxamine | 1.0322 | 1.2572 | 0.9695 | 0.8389 | 0.9840 | 0.9183 |
| Pyridoxine | 0.3870 | 0.4055 | 0.6120 | 1.5736 | 1.5401 | 1.4817 |
| Quinolin-2-ol | NA | NA | 1.0041 | 1.1521 | NA | 0.8397 |
| Retronecine | 1.3205 | 2.0839 | 1.2313 | 0.4270 | 0.5365 | 0.4007 |
| Riboflavin | 1.0657 | 0.6408 | 1.1240 | 1.3722 | 0.4684 | 1.2092 |
| Ricinine | 1.2072 | 1.1398 | 1.2526 | 0.9605 | 0.5691 | 0.8708 |
| S-Adenosyl-L-homocysteine | 0.6104 | 1.3517 | 0.4331 | 0.7960 | 1.4744 | 1.3343 |
| S-Adenosyl-L-methionine | 0.4532 | 0.8805 | 0.5483 | 1.1775 | 1.5668 | 1.3737 |
| (-)-Salsolinol | 0.8287 | NA | 1.2730 | 0.9309 | 1.0411 | 0.9771 |
| Sanguinarine | 0.7235 | 0.7850 | 0.9040 | 1.0944 | 1.3669 | 1.1262 |
| S-Butyl-DL-homocysteine-[S,R]-sulfoximine | NA | NA | 0.6876 | 1.0532 | 0.8789 | 1.3802 |
| (S)-Coclaurine | 1.1815 | 0.7754 | 1.0159 | 1.0936 | 0.9553 | 0.9782 |
| Slaframine | 1.2325 | 1.1998 | 1.0299 | 0.9749 | 0.6979 | 0.8651 |
| Slaframine_2 | 1.1117 | 1.3212 | 1.1041 | 0.8466 | 0.8194 | 0.7970 |
| SM(d16:1/18:1) | 1.2499 | 1.2590 | 1.0222 | 0.8655 | 0.7307 | 0.8728 |
| SM(d16:1/22:1) | 1.3254 | 1.1306 | 1.1955 | 0.8534 | 0.6816 | 0.8135 |
| SM(d18:0/24:1(15Z)(OH)) | NA | 0.2429 | 0.5036 | 1.1666 | 1.4794 | 1.6075 |
| SM(d18:1/14:0) | 1.2841 | 1.2316 | 1.1153 | 0.8459 | 0.6876 | 0.8355 |
| SM(d18:1/17:0) | 1.1050 | 1.3803 | 1.2964 | 0.8543 | 0.5780 | 0.7860 |
| SM(d18:1/18:0) | 0.8097 | 1.0204 | 0.9001 | 1.1957 | 0.9933 | 1.0808 |
| SM(d18:1/18:1(9Z)) | 1.2941 | 1.1470 | 1.0495 | 0.7782 | 0.7533 | 0.9780 |
| SM(d18:1/22:0) | 1.1806 | 1.1802 | 1.2976 | 0.7282 | 0.8182 | 0.7953 |
| SM(d18:1/22:1(13Z)) | 1.0778 | 1.2505 | 1.2383 | 0.8200 | 0.7982 | 0.8152 |
| SM(d18:1/24:1(15Z)) | 1.2024 | 1.2097 | 1.2338 | 0.7901 | 0.7119 | 0.8521 |
| sn-glycero-3-Phosphocholine | 1.5996 | 1.6725 | 1.5752 | 0.4041 | 0.3652 | 0.3834 |
| sn-glycero-3-Phosphoethanolamine | 1.2423 | 1.3811 | 1.3577 | 0.6081 | 0.7371 | 0.6736 |
| (S)-Norcoclaurine | NA | NA | 0.3795 | 0.8953 | 1.3961 | 1.3291 |
| [SP (16:0)] N-(hexadecanoyl)-sphing-4-enine | 0.4679 | 0.4188 | 0.3699 | 1.7021 | 1.5566 | 1.4847 |
| [SP (16:0)] N-(hexadecanoyl)-sphing-4-enine-1-phosphocholine | 1.0723 | 1.0787 | 0.9870 | 0.9712 | 0.8282 | 1.0627 |
| [SP (2:0)] sphinga-4E,14Z-dienine | 0.6435 | 1.3291 | 0.9266 | 1.0243 | 0.8289 | 1.2475 |
| [SP] 3-dehydrosphinganine | 0.0839 | 0.0877 | 0.1130 | 1.7887 | 2.1316 | 1.7952 |
| [SP amino,tetramethyl(4:0/18:0/3:0)] 2S-amino-5,9,13,17-tetramethyl-8E,16-octadecadiene-1,3R,14-triol | 0.5098 | 1.1675 | 1.5975 | 0.6882 | 0.9861 | 1.0509 |
| [SP hydrox] 6-hydroxysphing-4E-enine | 0.8737 | 0.9699 | 0.8399 | 0.9008 | 0.7033 | 1.7124 |
| [SP] Sphing-4-enine-1-phosphate | NA | NA | NA | 1.1297 | 0.8745 | 0.9957 |
| [SP] Sphinganine-1-phosphate | NA | NA | NA | 1.1186 | 0.9088 | 0.9725 |
| S-Succinylglutathione | 0.7318 | 0.2202 | 0.4011 | 1.7456 | 1.0638 | 1.8375 |
| [ST (2:0)] 5alpha-cholesta-8,24-dien-3beta-ol | 0.4243 | 0.8947 | 1.5379 | 0.8511 | 0.9719 | 1.3201 |
| [ST (20:5)] cholest-5-en-3beta-yl (5Z,8Z,11Z,14Z,17Z-eicosapentaenoate) | 1.1956 | NA | 0.8028 | 1.0050 | NA | NA |
| [ST (3:0)] (5Z,7E)-(1S,3R)-24-nor-9,10-seco-5,7,10(19)-cholatriene-1,3,23-triol | 0.3006 | 0.2217 | 0.2268 | 1.4932 | 1.9552 | 1.8024 |
| [ST (3:0)] (5Z,7E)-(1S,3R,24R)-22-oxa-9,10-seco-5,7,10(19)-cholestatriene-1,3,24-triol | 1.3211 | 1.0299 | 0.9853 | 0.9096 | 0.8947 | 0.8594 |
| [ST (3:0)] cholest-5Z,7Z,24-trien-3beta-ol | 0.2744 | 0.8082 | 1.7949 | 0.7088 | 1.2517 | 1.1620 |
| [ST] (5Z,7E)-9,10-seco-5,7,10(19)-cholestatriene | 0.9474 | 0.9613 | 1.0945 | 0.9378 | 1.0307 | 1.0283 |
| [ST] (5Z,7E)-9,10-seco-5,7,10(19)-cholestatriene_2 | 0.6121 | 0.6470 | 1.3056 | 1.0412 | 1.3347 | 1.0594 |
| Stachydrine | 1.7815 | 2.6213 | 1.4430 | 0.0529 | 0.0502 | 0.0511 |
| Stearoylcarnitine | 1.7588 | 1.7857 | 1.7040 | 0.2445 | 0.2476 | 0.2595 |
| [ST hydroxy(5:0)] 3-hydroxy-estra-1,3,5(10),6,8-pentaen-17-one | 0.4064 | NA | 0.4327 | 1.3672 | 1.1355 | 1.4604 |
| Suberylglycine | NA | NA | NA | 1.1723 | 0.6525 | 1.0010 |
| Succinyl proline | 1.4994 | 0.7491 | 1.0734 | 0.9178 | 0.7556 | 1.0047 |
| Tazettine | 0.2603 | 3.0478 | 0.2587 | NA | 0.1717 | 0.7093 |
| Tenuazonic acid | 0.3370 | 0.4057 | 1.0172 | 1.4823 | 1.4517 | 1.3061 |
| Tetradecanoylcarnitine | 1.4090 | 1.2737 | 1.1660 | 0.7492 | 0.7527 | 0.6495 |
| Tetrapentylammonium | 0.0779 | 0.0501 | 0.0367 | 1.1459 | 3.6395 | 1.0500 |
| Thalicsessine | 0.8993 | 0.2726 | 1.2098 | 1.2484 | 0.8656 | 1.5043 |
| Thiamin | 0.9886 | 0.4748 | 1.1237 | 1.1335 | 1.0460 | 1.2333 |
| Thiomorpholine 3-carboxylate | 0.2334 | 0.3236 | 0.6279 | 1.6544 | 1.5670 | 1.5936 |
| Thiomorpholine 3-carboxylate_2 | 0.1929 | NA | 0.4566 | 1.3092 | 1.1423 | 1.3609 |
| Thr-Ala | 0.1347 | 0.1601 | 0.1358 | 1.9211 | 1.8454 | 1.8030 |
| Thr-Ala-Asp | 1.5247 | 1.0917 | 1.3125 | 0.7501 | 0.6084 | 0.7126 |
| Thr-Cys | 0.2214 | 0.3005 | 0.6458 | 1.1409 | 1.8985 | 1.7930 |
| Thr-Cys_2 | 0.1940 | 0.1518 | 0.8631 | 1.1489 | 1.2329 | 1.3064 |
| trans-Hexadec-2-enoylcarnitine | 1.5258 | 1.5504 | 1.3476 | 0.6118 | 0.4883 | 0.4761 |
| Tributyl phosphate | 1.0621 | 1.1653 | 1.0035 | 0.9890 | 0.7806 | 0.9994 |
| Tris(butoxyethyl)phosphate | 0.9734 | 0.8340 | 1.3443 | 0.9754 | 1.0222 | 0.8507 |
| Trp-Trp-Tyr-Tyr | 0.7950 | 0.2126 | 0.8324 | 1.3796 | 1.2135 | 1.5668 |
| Tyr-OEt | NA | NA | 0.5525 | 0.9560 | 1.2930 | 1.1985 |
| UDP | 0.2219 | 0.2568 | 0.2043 | 1.7399 | 1.6687 | 1.9083 |
| Urethane | 0.6461 | 0.5930 | 0.5748 | 1.1587 | 1.2569 | 1.3752 |
| Urethane_2 | 0.5993 | 0.5725 | 0.5824 | 1.4673 | 1.3845 | 1.3939 |
| Urocanate | 0.7721 | 0.8767 | 0.6747 | 0.8248 | 0.6831 | 2.1687 |
| Val-Asn-Asp | 0.9350 | 0.2551 | 1.2104 | 1.3283 | 0.9339 | 1.3372 |
| Valeroidine | 0.3446 | 0.5476 | 0.9065 | 1.4566 | 1.1983 | 1.1096 |
| Val-Gly | 0.7315 | 2.0924 | 0.6072 | 0.6925 | 0.6304 | 1.2460 |
| Val-Pro-Arg | 0.8019 | 1.6035 | 0.6123 | 1.1486 | 0.4131 | 1.4207 |
| Val-Ser | 0.9354 | 0.6081 | 1.8000 | 0.3936 | 1.5469 | 0.7160 |
| Verticine | 0.5920 | 1.2400 | 1.4852 | 0.8082 | 0.8626 | 1.0119 |
| (Z)-4-Hydroxyphenylacetaldehyde-oxime | 0.9612 | 0.6596 | 1.2960 | 1.0873 | 0.8997 | 1.0961 |
| ZAPA | 1.1587 | 0.2421 | 1.3971 | 1.1318 | 0.7086 | 1.3618 |
| α-(2,6-anhydro-3-deoxy-D-arabino-heptulopyranosid)onate 7-phosphate | 0.3386 | 0.3313 | 1.2876 | 1.0264 | 0.7390 | 2.2770 |
Factors:
| F1 | Cell type:Mature erythrocyte | Glucose labelling:C13 glucose | timepoint:1 hour |
| F2 | Cell type:Mature erythrocyte | Glucose labelling:C13 glucose | timepoint:20 hours |
| F3 | Cell type:Mature erythrocyte | Glucose labelling:unlabelled | timepoint:20 hours |
| F4 | Cell type:Reticulocyte | Glucose labelling:C13 glucose | timepoint:1 hour |
| F5 | Cell type:Reticulocyte | Glucose labelling:C13 glucose | timepoint:20 hours |
| F6 | Cell type:Reticulocyte | Glucose labelling:unlabelled | timepoint:20 hours |
