Data for (Study ST000539)

(Analysis AN000818)

Values for each metabolite have been scaled by dividing by the mean across all factors

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MetaboliteF1F2F3F4F5F6
10-Hydroxycarbazepine 0.5537 1.1088 1.3391 0.5287 1.5143 0.6413
1,2,4-Trimethylbenzene 0.9009 0.7093 1.3307 0.9447 1.2751 0.8393
1,2-dioctanoyl-1-amino-2,3-propanediol 0.9515 1.0424 1.1222 0.9262 1.1139 0.8439
1(2H)-Isoquinolinone 1.0247 1.2119 1.0420 0.7839 0.8919 1.0456
12-OPDA 0.7156 1.0822 0.6600 1.3655 1.0362 1.1406
1-5-diazabicyclononane 3.3554 0.5927 0.4898 0.5279 0.4409 0.5933
1-5-diazabicyclononane 2 3.3554 0.5927 0.4898 0.5279 0.4409 0.5933
1,6-anhydrous-N-Acetylmuramyl-tetrapeptide 1.0223 1.1293 0.8484 NA NA NA
1-deoxynojirimycin 1.1271 0.9122 0.7684 1.0080 1.1314 1.0530
1-deoxyxylonojirimycin 0.1166 0.1278 0.1383 1.7365 1.8601 2.0207
1-Methylnicotinamide 1.3286 1.5460 1.6216 0.4514 0.5294 0.5229
1-Nitronaphthalene 0.4179 1.0105 0.5407 3.1927 0.0940 0.7442
2,3,4,5-Tetrahydrodipicolinate NA NA NA 1.1959 0.6462 1.1580
2,3,4,5-Tetrahydropyridine-2-carboxylate 0.9210 1.0874 0.9393 0.9006 0.8428 1.3088
2,3-Dimethylmaleate 0.8363 0.7526 1.5056 0.7289 0.7757 1.4010
2-amino-3,7-dideoxy-D-threo-hept-6-ulosonate 0.8739 1.0548 0.8649 0.9445 1.0372 1.2246
2-amino-3,7-dideoxy-D-threo-hept-6-ulosonate 2 0.8739 1.0548 0.8649 0.9445 1.0372 1.2246
2-Aminobutan-4-olide 0.5626 0.5863 0.7787 1.0601 1.1985 1.8139
2-Dehydro-3-deoxy-L-rhamnonate 1.2078 0.9113 1.0463 0.6152 1.0585 1.1609
2-Methylcholine 0.4896 0.9316 1.9401 0.3230 1.4435 0.8723
2-monooleoylglycerol 1.9472 0.5260 0.9556 0.4306 1.4473 0.6933
2-Phenyl-1,3-propanediol monocarbamate 0.3586 0.4301 0.9717 1.3005 1.2590 1.6801
3,4-Dehydrothiomorpholine-3-carboxylate 1.7591 1.0994 1.2939 0.7318 0.2889 0.8270
3,4-Dehydrothiomorpholine-3-carboxylate 2 1.7591 1.0994 1.2939 0.7318 0.2889 0.8270
3,5,7-Trimethyl-2E,4E,6E,8E-undecatetraene 0.8688 0.7284 1.2995 0.9418 1.3840 0.7775
3,5-dihydro-5-methylidene-4H-imidazol-4-one 0.2449 1.1158 0.2630 2.4623 NA 0.9141
3-(ADP)-2-phosphoglycerate 0.2835 NA NA 1.5952 NA 0.8825
3-beta-D-Galactosyl-sn-glycerol 0.8695 1.0868 1.0437 NA NA NA
3-Butylidene-7-hydroxyphthalide 1.9261 0.5217 0.6122 1.9857 0.3887 0.5656
3-Butynoate 0.6778 0.7962 0.6790 1.2360 1.2619 1.3491
3-Dehydroteasterone 2.1568 0.5605 0.8088 0.6695 1.1692 0.6353
3-(Dimethylamino)propyl benzoate 0.5167 0.5850 0.4808 2.5708 NA 0.5403
3-Hydroxy-L-kynurenine 0.3406 0.3660 0.4419 1.2924 0.6884 2.0338
3-Hydroxy-N6,N6,N6-trimethyl-L-lysine 0.3192 0.3135 0.3015 1.7144 1.8251 1.5264
3-Methoxyanthranilate 1.0361 1.2518 1.2674 0.7652 0.8161 0.8635
3-methyl-1-heptene 1.3874 0.8745 0.6841 1.3677 0.9069 0.7794
3-Methylcrotonylglycine 0.2909 0.5196 0.7017 0.2120 3.4361 0.6034
3-Methyleneoxindole 0.5316 0.7956 0.6388 2.7774 0.5510 0.7057
3-nitro-2-pentanol 1.2542 1.6571 0.6939 1.0811 0.4602 0.8534
3-Nitrotyrosine NA NA NA NA NA 1.0000
4-(1-methyl-5-hydroxy-2-pyrrolidinyl)-3-oxobutanoate methyl ester 0.9503 1.1844 0.8685 1.0624 0.6636 1.2707
4,6-Dihydroxyquinoline NA NA 0.7364 0.1269 2.0877 1.0491
4-8dimethylnonanoylcarnitine 1.1144 1.1023 1.0321 0.7534 0.7342 1.2637
4-Aminobutanal 0.9049 0.8884 0.8636 1.2333 0.9916 1.1181
4-Aminobutanoate 0.5915 0.6076 0.6283 1.4011 1.3817 1.3897
4-Guanidinobutanal 0.9799 1.0717 0.9523 0.9782 1.0442 0.9736
4-Hydroxy-4-methylglutamate 0.5807 0.6451 0.6633 1.2180 1.3759 1.5169
4-Hydroxycinnamyl aldehyde 1.7468 0.1256 0.6150 0.1634 1.3040 1.7664
4-Imidazolone-5-propanoate 0.2431 0.3190 0.3170 1.5920 1.7906 1.7384
4-PIOL 0.9199 0.8968 1.0611 0.8542 1.2321 1.0359
4-Trimethylammoniobutanoate 1.2084 1.4061 1.4323 0.6317 0.6758 0.6457
5,6-Dihydrothymine 0.4845 0.5692 0.5123 1.4873 1.4140 1.5327
5,6-Dihydrothymine 2 0.4845 0.5692 0.5123 1.4873 1.4140 1.5327
5,8,13,13a-Tetrahydrocolumbamine 0.7280 1.2056 1.0775 0.8165 0.9345 1.2379
5-Aminopentanamide 0.6844 0.6912 0.8108 1.1052 1.3639 1.3444
5-Guanidino-2-oxopentanoate 0.8679 0.9498 0.9133 1.0827 1.0938 1.0925
5-guanidino-3-methyl-2-oxo-pentanoate 1.2752 1.3286 0.6603 1.7306 0.2001 0.8053
5-Hydroxytryptophol 0.6314 0.7799 0.8775 0.7313 1.4147 1.5652
5-Methoxytryptophol 0.7196 0.8511 0.7983 0.6782 1.3249 1.6278
5-Methylcytosine 1.0617 1.2629 1.0884 0.7328 0.8186 1.0356
5-Methylthioadenosine 0.7255 0.9629 0.8647 1.4167 0.6304 1.3999
5S-HETE di-endoperoxide 0.3376 0.5163 1.0719 0.4769 3.0971 0.5003
(+/-)-5-[(tert-Butylamino)-2-hydroxypropoxy]-1,2,3,4-tetrahydro-1- naphthol 0.4253 0.8505 1.4717 1.2793 0.7789 1.1943
(+/-)-5-[(tert-Butylamino)-2-hydroxypropoxy]-3,4-dihydro-1(2H)- naphthalenone NA 0.3144 NA 1.3790 0.5411 1.3084
6-Acetamido-2-oxohexanoate 0.6101 1.3332 0.3019 1.1899 0.5870 1.9778
7,8-benzoflavone 0.5917 1.0467 1.0491 0.9639 1.2547 1.0938
7alpha-Hydroxycholest-4-en-3-one 0.7618 1.4516 0.6936 0.6146 0.5545 1.9239
Acetone cyanohydrin 0.6041 0.5744 0.6335 1.3114 1.3579 1.5188
Acetylagmatine NA NA NA NA NA NA
Acetylcholine 0.0018 0.0023 0.0026 2.1253 1.9090 1.9590
Acetyl phosphate 1.1626 0.8208 1.1274 1.1393 0.5406 1.2093
Ac-Tyr-OEt 0.9191 0.8416 0.9537 1.4445 0.8111 1.0300
a Cysteine adduct 1.7759 1.0322 1.2591 0.7597 0.4500 0.7230
a Cysteine adduct 2 1.7759 1.0322 1.2591 0.7597 0.4500 0.7230
Adenine 0.8177 1.0798 0.8773 1.0849 0.8406 1.2997
Ala-Ala-Ala NA NA NA NA NA NA
Ala-Asn-Gly 1.0726 0.8308 NA 1.0640 0.5586 1.4741
Ala-Asp-Asp-Gln NA NA NA 0.8716 1.1922 0.9362
Ala-Asp-Cys-Gly 0.6805 1.0362 0.8943 NA 1.0258 1.1502
Ala-Asp-Cys-Ser 0.3985 0.3926 0.3647 1.5934 1.5452 1.7055
Ala-Asp-Gly 1.2323 0.9659 1.0131 0.6588 1.0539 1.0761
Ala-Asp-Gly 2 1.2323 0.9659 1.0131 0.6588 1.0539 1.0761
Ala-Asp-Pro-Ser NA NA NA 1.0200 NA 0.9800
Ala-Gln-Pro NA NA NA NA 0.5924 1.2718
Ala-Leu-Lys-Pro 0.7258 0.7420 0.6212 1.1499 1.2178 1.5433
Ala-Leu-Thr-Pro 0.7140 1.0186 0.6041 1.7922 0.6686 1.2025
Ala-Lys-Asn-His 0.1771 NA 0.2362 1.2629 1.3880 1.4070
Ala-Met-Pro-Tyr NA NA NA 0.9841 0.8444 1.1714
Ala-Pro 1.1266 1.4727 1.0851 1.4284 0.3113 0.5759
Ala-Ser-Ser 0.9453 1.0086 1.0462 NA NA NA
Alatanin 2 1.8213 0.5948 0.7230 1.4285 0.6770 0.4203
allopurinol 0.7294 0.9065 0.7528 1.2172 1.1962 1.1979
alpha-Methylstyrene 1.0970 0.5878 1.3285 0.6514 1.5748 0.7605
AMP 1.1278 1.6256 1.4694 0.6391 0.5094 0.6288
Anthranilate 0.6914 0.8490 0.6867 1.1523 1.2608 1.3599
Arg-Asn-Pro-His 0.3986 0.4355 0.4578 1.2593 1.9279 1.5209
Arg-Asp-Asp-Gly 0.3127 0.2900 0.3350 1.3987 1.6729 1.9907
Arg-Leu-Asn-Asp 1.4482 0.9081 0.4655 NA NA NA
Arg-Met-Asn-Gln NA NA NA NA NA NA
Arg-Met-Asn-His NA 0.8383 1.0539 NA NA NA
Arg-Met-Val-Asp NA NA NA NA NA NA
Asn-Asn-Asn 0.8065 1.3222 1.2643 0.5980 0.4535 1.5600
Asn-Asn-Pro-His 0.8539 1.0777 1.0587 1.3293 NA 0.6804
Asn-Asp 0.2552 0.3174 0.3130 1.1819 1.4266 1.3445
Asn-Cys-Pro-Ser NA NA NA 1.0347 0.5931 1.3722
Asn-Leu-Asn-Tyr 1.8347 1.9110 2.0759 0.1012 0.0358 0.0413
Asn-Pro 1.5645 2.0981 1.9559 0.1199 0.1308 0.1308
Asn-Tyr 0.9530 NA NA 1.0470 NA NA
Asp-Arg 0.0648 0.1504 0.0876 1.3065 1.7869 1.3720
Asp-Asp-Gly 0.0924 0.0821 0.0910 2.4568 1.0301 2.2476
Asp-Cys-Cys-Ser 0.4369 0.3228 0.3845 1.2080 2.3480 1.2998
Asp-Cys-Gln 0.9049 1.0316 1.0223 1.1814 0.8296 1.0302
Asp-Gly NA NA NA 0.7328 1.2170 1.0503
Asp-Gly-Arg 1.3209 1.3645 1.2423 0.7434 0.6802 0.6487
Asp-Gly-Arg 2 1.3209 1.3645 1.2423 0.7434 0.6802 0.6487
Asp-Gly-Pro 1.0607 0.8232 0.8028 1.1039 0.9913 1.2181
Asp-Gly-Pro-Ser NA NA NA 1.1838 NA 0.8162
Aspidofractine NA NA 0.2277 NA 1.3245 0.9329
Asp-Leu-Ser-His NA NA NA NA NA NA
Asp-Met-Pro-Pro NA NA NA 0.3556 0.8745 1.3403
Asp-Pro-Ser 0.8159 0.8965 1.7145 0.5374 0.6381 1.3976
ATP 1.4446 1.0557 0.8870 1.3722 0.1774 1.0631
Behenoylglycine 0.7170 0.9664 0.8548 0.5918 1.2436 1.6264
Bendiocarb 0.6565 0.7798 0.8257 0.8723 1.2314 1.6343
Benzimidazole NA NA NA NA NA NA
beta-Alanyl-L-arginine 0.7594 1.0676 0.8758 0.5380 0.9382 1.6547
beta-Carboline 0.6470 2.2062 1.0608 0.4168 0.5085 1.1608
beta-Citryl-L-glutamic acid 0.0257 0.0220 0.0167 2.8531 0.5291 2.5534
Betaine 1.6532 1.7600 1.7192 0.2712 0.2797 0.3167
Betaine aldehyde 0.6886 0.7502 0.7143 1.2445 1.3770 1.2253
Biotin amide 0.8227 0.9907 1.1866 NA NA NA
Bis(2-ethylhexyl)phthalate 1.4116 0.8062 0.7040 1.3559 0.9024 0.8200
Bis(glycerophospho)-glycerol NA NA NA 1.0104 0.8833 1.1063
Boc-Asn 0.2544 0.3285 0.2894 1.5089 0.8728 1.5760
Butenylcarnitine 0.8962 1.2281 1.0052 0.8309 0.7181 1.3215
Calophyllin B 0.0593 NA 0.2609 NA 1.9422 1.7376
Carnosine NA 0.0544 0.0428 1.6225 1.5640 1.7162
Casein K 1.8938 1.4464 0.9028 1.0196 0.1957 0.5417
Casein K 2 1.8938 1.4464 0.9028 1.0196 0.1957 0.5417
CDP-choline 0.0455 0.0514 0.0468 1.9648 1.7295 2.1619
CDP-ethanolamine NA NA NA 0.9345 0.9699 1.0956
CDP-ribitol NA NA NA 0.9720 0.9142 1.1137
Cerulenin 1.4399 1.7081 1.6463 0.4180 0.4002 0.3874
Chelilutine 0.4178 0.9383 0.9401 0.7725 1.4509 1.4803
Choline 0.2083 0.2428 0.2456 1.7465 1.7552 1.8015
Choline phosphate 0.2211 0.2648 0.2352 1.8090 1.6376 1.8321
cis-5-Tetradecenoylcarnitine 0.7407 0.8573 0.7912 1.2363 1.3250 1.0495
CMP NA NA NA 1.1500 0.8192 1.0308
CMP-2-aminoethylphosphonate 1.1545 1.2440 1.3000 0.6964 0.7340 0.8711
CMP-N-trimethyl-2-aminoethylphosphonate 1.5369 1.7177 1.7348 0.3378 0.3145 0.3583
Codonopsine 0.9544 1.6800 0.7704 0.5285 1.1608 1.0220
Costunolide 0.9906 1.3502 0.5717 1.2104 0.6739 1.2032
Creatine 0.8460 0.9066 0.9074 1.1238 1.0276 1.1885
Creatinine 0.7169 0.8324 0.8935 0.7573 1.6375 1.1624
CTAB 0.8034 1.0525 0.7231 1.1544 1.1002 1.1663
CTP NA NA NA 1.1851 NA 0.8149
Cyclo(deltaAla-L-Val) 0.9081 0.9142 1.1376 0.7120 1.3327 0.9954
cyclo-dopa 5-O-glucoside NA NA NA 1.0607 0.7734 1.1659
Cyclopamine 0.2617 0.2891 0.2073 4.6544 0.4302 0.1572
Cys-Lys-Met-Gln 0.7954 1.1978 1.0610 1.2183 NA 0.7275
Cys-Met-Tyr-Tyr 1.5774 1.1037 NA 1.3433 0.5837 0.3918
Cys-Thr-Cys-Cys NA NA NA 0.5260 1.5853 0.8888
d1-piperidine-dicarboxylate 0.5723 1.0651 0.6414 1.1938 0.9220 1.6054
D-2-Amino-hexano-6-lactam 3.4651 0.5661 0.5468 0.4680 0.4818 0.4722
Daminozide 0.0715 0.0715 0.2855 0.0462 2.6311 2.2752
Dasytrichone 0.0878 0.0601 0.4560 0.0376 3.0313 2.3272
Deacetoxycephalosporin C NA NA NA 0.8366 1.2280 0.9354
Deoxyvasicinone 0.3374 0.8965 0.3426 2.3558 0.4338 1.2565
Dethiobiotin 0.6853 0.8274 0.9194 1.1803 1.1641 1.2234
D-Galactosamine 0.9156 0.8737 1.0132 0.6922 0.9537 1.5517
D-Galactosamine 2 0.9156 0.8737 1.0132 0.6922 0.9537 1.5517
D-Glucosamine 6-phosphate NA NA NA 1.0881 0.9162 0.9957
Diacetylhydrazine 1.0392 0.9755 0.4845 2.5109 0.1267 0.8631
Diacetylmonoxime 0.6963 0.7233 0.9232 0.7376 1.1216 1.7980
Diethanolamine 2.5724 0.7010 0.6465 0.7691 0.6957 0.6153
Diethanolamine 2 2.5724 0.7010 0.6465 0.7691 0.6957 0.6153
dihydrocapsaicin 0.7156 1.0743 0.2934 1.3314 0.4204 1.6939
Dihydroneopterin phosphate NA NA NA 0.8224 0.5814 1.5963
di-n-Undecylamine 0.0629 0.4088 0.0470 1.6135 2.1504 1.7175
DL-2-Aminooctanoicacid 1.7342 1.8951 1.9172 0.1448 0.1558 0.1530
DL-Methionine sulfone 0.3259 0.2651 NA 1.6165 0.6995 1.3784
DMNT 0.9547 0.6863 1.1974 0.8580 1.4266 0.8769
D-myo-Inositol 1,2-cyclic phosphate 1.2275 1.2964 1.3490 0.4971 0.3150 1.3150
Dopaminequinone 0.8249 0.8388 1.1221 0.7729 1.3633 1.0781
D-Pipecolicacid 0.8430 0.9915 0.9383 1.0074 1.0642 1.1556
Ectoine 0.6604 1.0881 0.8552 1.4947 0.7473 1.1542
Elaidiccarnitine 1.7055 1.7634 1.9079 0.1927 0.2349 0.1955
Epinephrinesulfate 1.1104 0.9769 0.8691 NA NA NA
Ergothioneine 1.7289 1.9277 1.3371 0.0030 0.0034 NA
Erythrulose 1-phosphate 0.3155 0.3150 0.5362 1.3904 0.8867 2.0996
[FA (14:2)] 5,8-tetradecadienal 0.9105 0.7226 1.3228 0.7308 1.4641 0.8492
[FA (20:2)] N-(11Z,14Z-eicosadienoyl)-ethanolamine 0.3082 0.5492 0.4913 3.9694 0.4375 0.2443
[FA (20:5)] 5Z,8Z,11Z,14Z,17Z-eicosapentaenoic acid 0.7563 0.9278 0.5399 1.4955 0.9771 1.3035
[FA (5:2)] 2,4-pentadienoic acid 0.9005 1.0831 1.0164 NA NA NA
[FA (6:0)] O-hexanoyl-R-carnitine 0.5033 0.4946 0.4838 1.6188 1.5115 1.3880
[FA (8:2)] 2,4-octadienal 0.9913 0.6724 1.2213 0.9260 1.2085 0.9804
[FA amino(11:0)] 11-amino-undecanoic acid 0.8467 0.9207 0.9522 0.9707 1.1300 1.1797
[FA hydroxy(9:1)] 4-hydroxy-2-nonenal 0.7585 0.8543 1.4513 0.5815 1.4749 0.8796
[FA methyl(4:1)] 3-methyl-2-butenoic acid 0.7015 0.8306 0.8037 1.1627 1.2179 1.2836
[FA methyl,hydroxy,ethyl,dimethyl(22:4)] N-(2R-methyl-3-hydroxy-ethyl)-16,16-dimethyl-5Z,8Z,11Z,14Z-docosatetraenoyl amine 0.3615 0.8786 0.5902 1.8316 0.3531 1.2805
[FA] O-Palmitoyl-R-carnitine 1.5182 1.8806 1.8147 0.2763 0.2493 0.2609
[FA oxo(5:1/5:0/8:0)] (1S,2S)-3-oxo-2-(2Z-pentenyl)-cyclopentaneoctanoic acid 0.8368 1.1594 0.7259 1.1571 0.8145 1.3063
[FA oxo(6:0)] N-(3-oxo-hexanoyl)-homoserine lactone 0.6143 0.8062 0.8938 0.9870 1.1785 1.5202
Fasoracetam 0.9605 1.0830 1.1748 0.7136 1.0104 1.0577
FMLP 0.1168 0.1461 0.1265 2.5918 0.8978 0.9596
Folate 1.6093 0.9525 0.9520 0.9262 0.5487 1.0113
Fructoselysine 1.2170 1.1769 1.4507 1.0909 0.0791 0.9854
Fructoselysine 2 1.2170 1.1769 1.4507 1.0909 0.0791 0.9854
Fructoselysine 6-phosphate 0.1523 NA NA 1.0194 1.0252 1.2379
Furfural 0.8506 0.8615 1.3826 1.0034 0.8327 1.0693
[Fv] Desmosdumotin C 2.8637 0.0922 0.1014 2.8061 0.0523 0.0842
[Fv] Homoflemingin 0.8476 1.3085 1.1339 0.6486 1.1666 0.8948
[Fv] Ovalitenin A 0.6180 1.2346 1.2160 0.3190 1.4204 1.1921
Gamma-Aminobutyryl-lysine NA NA NA NA 0.5436 1.4564
gamma-Glutamyl-beta-aminopropiononitrile 0.8806 1.0465 0.9443 0.8382 0.8355 1.4548
gamma-Glutamyl-beta-cyanoalanine 0.2683 0.5228 1.0850 0.3558 1.4164 2.0336
gamma-Glutamyl-Se-methylselenocysteine 0.3050 0.2720 2.0767 0.5697 0.2882 1.7658
GDP 0.7792 0.6672 0.6294 1.8127 0.5982 1.5133
Gentianaine 0.4735 0.4960 0.8003 0.5753 1.5120 2.1430
Glabranin 0.3728 1.0530 1.2218 NA 1.2198 1.1325
Glaucarubolone 0.1150 NA 0.0759 0.9554 1.7584 1.1842
Gln-Leu-Lys-His NA 0.1296 0.2157 0.0904 2.4747 0.9029
Glu-Arg 0.8665 NA NA NA 1.2176 0.9159
Glu-Arg 2 0.8665 NA NA NA 1.2176 0.9159
Glu-Asp 0.0386 0.0436 0.0516 1.9186 1.7378 2.2098
Glu-Glu-Glu 0.6525 0.6468 0.5469 1.3665 0.5328 1.3295
Glu-Gly NA NA NA 0.9861 1.0267 0.9872
Glu-Lys-Val 0.3785 0.5137 0.4177 1.5431 1.6300 1.5169
Glu-Met-Thr 0.2126 0.6351 1.0282 0.4890 1.7643 1.8707
Glu-Pro 0.3259 0.3452 0.3292 1.4958 1.6916 1.8123
Glutathione disulfide 1.1387 1.1274 0.9350 1.3223 0.4749 1.0018
Glu-Thr 1.0806 1.1301 1.1427 0.9534 0.8518 0.8414
Glu-Val 0.7238 0.7241 0.6505 1.2721 1.4130 1.2165
Glycylprolylhydroxyproline NA NA NA NA NA NA
Gly-Pro-Ser 0.6543 0.6170 0.8452 0.7422 1.1345 2.0067
GTP 0.3188 NA NA 1.4749 NA 0.9793
Guanidinoacetate 0.8105 1.0014 0.9240 1.1786 0.9968 1.0886
Gyromitrin 1.0842 1.2633 1.2764 0.7654 0.9420 0.6687
Heptadecanoylcarnitine 1.4158 1.5463 1.5660 0.5415 0.3482 0.4293
Hercynine 1.9096 2.0070 0.6975 0.0438 NA 0.0132
Hercynine 2 1.9096 2.0070 0.6975 0.0438 NA 0.0132
Hexadecasphinganine 0.4294 0.5610 0.7376 1.2866 1.3985 1.5869
Hexanoylcarnitine 0.4753 0.5389 0.5757 1.5458 1.4108 1.4536
Hexanoylglycine 1.7901 0.8316 0.9046 0.7402 0.7270 1.0065
Homoarginine 0.3043 0.3154 0.7839 0.6533 2.1484 1.7947
Homocystine NA NA NA 0.5931 0.9964 1.2088
Homostachydrine 1.1957 1.6008 1.4538 0.0592 NA 0.0652
Hydroxybutyrylcarnitine 1.2426 1.4170 1.5064 0.5880 0.5845 0.6615
Hypaphorine 1.6983 2.1583 1.7557 0.1457 0.1135 0.1285
Hypoxanthine 0.6626 1.1629 0.8753 1.1857 1.3294 0.7841
Ile-Met-Met-Thr 1.0174 0.8652 1.0215 1.0698 NA 1.0260
Ile-Pro 1.0220 1.2067 1.1318 0.8318 0.8733 0.9344
Imidazole-4-acetaldehyde 1.0700 0.9903 0.9814 0.9969 0.9236 1.0377
Imidazole-4-acetate 1.0332 1.3313 1.2618 0.7700 0.8265 0.7772
Imidazole lactate 0.9574 1.0725 1.1107 0.9324 0.8073 1.1198
Indole 1.0576 1.1551 1.1237 0.8215 0.7709 1.0713
Indole 2 1.0576 1.1551 1.1237 0.8215 0.7709 1.0713
Indole-3-acetamide 0.2650 0.8384 0.5366 2.3864 NA 0.8191
indole-3-acetonitrile oxide 0.4108 0.7843 0.3984 2.5328 0.2325 1.6411
Indoleacrylicacid 1.6774 2.2201 1.7395 0.1202 0.1189 0.1239
Indoleamine 0.9405 1.1248 1.2113 0.6650 1.4768 0.5816
Iridodial 0.5743 0.5611 1.4679 1.1307 1.5429 0.7232
Isopyridoxal 0.9209 1.1574 0.9434 0.9202 0.9951 1.0630
Isoquinoline 0.9120 1.1047 0.9833 NA NA NA
Isovalerylalanine 0.9154 0.8961 0.8836 0.8237 0.9226 1.4863
(-)-jasmonoyl-L-isoleucine NA 0.5637 NA 1.5322 NA 0.9041
ketoconazol NA 0.6652 NA 1.2477 NA 0.7958
L-1-Pyrroline-3-hydroxy-5-carboxylate 1.2146 0.9974 1.1838 0.5638 0.9828 1.0576
L-1-Pyrroline-3-hydroxy-5-carboxylate 2 1.2146 0.9974 1.1838 0.5638 0.9828 1.0576
L-2-Amino-6-oxoheptanedioate 0.6842 1.2920 1.0754 1.3978 0.6605 1.1395
Lactosamine 0.5856 0.8386 1.8268 0.5113 0.3783 1.8595
L-a-glutamyl-L-Lysine NA 0.0698 NA 1.0889 1.1304 1.0907
L-Alanine 0.8277 0.8181 0.8026 1.1746 1.1100 1.2670
L-Arginine 1.0620 0.9442 0.9527 0.9226 1.0398 1.0787
L-Asparagine 0.7763 0.7317 0.7163 1.2330 1.2494 1.2934
L-Carnitine 1.3251 1.3713 1.4404 0.6111 0.5792 0.6730
L-Citrulline 1.6101 1.9403 1.9956 0.1861 0.1371 0.1307
Leu-Ala 1.6840 2.1036 2.0340 0.0551 0.0610 0.0623
Leu-Asn-Ser 0.8337 NA 0.4077 NA NA 1.4625
Leu-Asp 0.3823 0.5726 0.6008 1.5814 1.4182 1.4446
Leu-Asp-Gln NA NA 0.7130 NA 0.6388 1.7917
Leucyl-leucine 1.1482 0.7508 0.9856 0.7194 1.1087 1.2873
Leu-Gly-Ser NA NA 1.0000 NA NA NA
Leu-Leu-Pro 1.0740 1.0392 0.9280 0.9548 0.9807 1.0232
Leu-Lys-Asp 1.5880 1.8083 1.8206 0.2884 0.2432 0.2515
Leu-Lys-Pro 1.4928 1.5677 1.6147 0.3943 0.5100 0.4205
Leu-Pro 1.1425 1.2505 1.2929 0.7108 0.7590 0.8443
Leu-Ser 0.3100 0.5534 0.7774 0.3586 1.8279 1.4150
Leu-Thr-Thr NA NA NA NA 0.5432 1.4568
Leu-Val-Gly NA NA NA 1.4868 0.1457 1.3675
L-Glutamate 0.9793 0.9151 0.9772 1.0695 0.9486 1.1103
L-Glutamate methylester NA 0.3594 0.4298 0.4331 1.4053 1.9944
L-Glutamine 0.6923 0.5949 0.6245 1.4017 1.2968 1.3898
L-glycyl-L-hydroxyproline 0.8509 0.9610 0.7841 0.9526 1.4704 0.9810
L-Histidine 1.0888 1.0881 1.0708 0.8147 0.9927 0.9449
L-Homocitrulline 0.9658 1.1057 0.9285 NA NA NA
L-Homocitrulline 2 0.9658 1.1057 0.9285 NA NA NA
Lichenin 0.9116 1.0091 1.0918 0.7489 0.9179 1.3207
Linamarin 1.5936 1.5840 1.6483 0.3024 0.2411 0.3776
Linatine 1.2863 1.0556 0.8921 1.2903 0.1066 1.0714
L-Indospicine 1.6766 2.1139 0.8648 0.8840 0.1594 0.3014
Linoelaidylcarnitine 1.7153 1.7566 1.9188 0.1933 0.2463 0.1697
L-Kynurenine NA 0.3872 0.7348 0.6157 1.7165 1.3201
L-Leucine 0.9156 1.0503 0.9808 0.9316 0.9935 1.1282
L-Lysine 0.9024 0.8231 0.8529 1.0578 1.2086 1.1552
L-Lysine 1,6-lactam 0.2499 0.2244 1.0406 0.2242 2.3604 1.9005
L-Methionine 1.0352 1.3054 1.1791 0.8967 0.6663 0.9173
L-Methionine S-oxide 0.5449 0.7031 0.8556 0.9438 1.6779 1.2747
Lophophorine 1.3168 1.5630 0.5871 0.3229 NA 0.9768
L-Ornithine 0.8777 0.9706 0.8688 0.9882 1.2415 1.0531
L-Phenylalanine 1.0003 1.2707 1.1438 0.7736 0.8667 0.9450
L-Pipecolate 0.9451 1.0061 0.9783 0.3617 1.9050 0.8037
L-Pipecolate 2 0.9451 1.0061 0.9783 0.3617 1.9050 0.8037
L-Proline 0.9969 1.0223 0.9677 0.9374 1.0831 0.9927
L-proline amide 0.4114 0.7223 0.9888 0.3955 1.7583 1.7237
L-Serine 0.7399 0.8061 0.7592 1.2386 1.1741 1.2821
L-thiazolidine-4-carboxylate 1.4003 1.3636 0.7570 0.5249 0.6677 1.2866
L-Tryptophan 1.0528 1.2334 1.1070 0.7676 0.8423 0.9970
L-Tyrosine 1.0629 1.0712 1.0519 0.8825 0.9556 0.9759
L-Tyrosyl-L-arginine NA NA NA 1.0088 1.0569 0.9343
L-Valine 1.0431 1.0766 1.0752 0.8153 1.0249 0.9650
Lys-Asn-Gly 0.1277 NA 0.1513 1.2787 1.4183 1.1596
Lys-Asp-Gly 0.7982 1.0073 1.0956 0.8823 1.1726 1.0439
Lysergic acid 1.2113 1.3448 1.2400 0.6080 1.1910 0.4049
Lys-Lys-Met-Pro 1.5015 0.9361 0.2046 1.5863 0.7974 0.1271
LysoPC(17:0) 0.9973 0.9527 1.0400 1.1066 0.8728 1.0306
LysoPC(18:0) 1.0517 0.9602 1.0489 1.0123 0.9255 1.0015
LysoPC(18:1(9Z)) 0.9368 0.9595 0.9327 1.2615 0.8622 1.0472
LysoPC(20:1(11Z)) 1.1241 0.9814 1.1910 0.9779 0.7890 0.9366
LysoPC(20:4(5Z,8Z,11Z,14Z)) 0.5000 0.4790 0.4536 2.2104 1.0887 1.2682
LysoPC(22:4(7Z,10Z,13Z,16Z)) 0.4304 0.3520 0.3906 2.5589 0.9925 1.2756
LysoPC(O-18:0) 0.8902 0.9244 0.9132 1.1141 1.0080 1.1500
LysoPE(0:0/18:2(9Z,12Z)) 0.7858 0.7870 0.6381 1.7715 0.7510 1.2666
LysoPE(0:0/20:5(5Z,8Z,11Z,14Z,17Z)) 0.8507 0.5703 0.6864 2.5690 0.5482 0.7754
LysoPE(0:0/22:4(7Z,10Z,13Z,16Z)) 0.6088 0.4519 0.5134 2.1782 0.9991 1.2487
LysoPE(0:0/22:5(4Z,7Z,10Z,13Z,16Z)) 0.9519 0.6371 0.8196 1.7038 0.8534 1.0342
LysoPE(0:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z)) 0.8898 0.6458 0.9012 1.7409 0.8826 0.9397
Lys-Pro NA NA NA NA 1.1828 0.8172
Lys-Ser-Ser-Ser NA NA NA NA NA NA
Lys-Trp-Asn 0.3174 0.4916 0.4386 1.6610 1.3169 1.7745
Lys-Val 0.3950 0.4235 0.3994 1.4350 1.7651 1.5821
Lys-Val-Val 1.8878 1.9661 0.9749 0.6757 0.0967 0.3988
Maleimide NA NA 0.2142 0.8984 0.8515 1.5120
Maltose NA NA NA 1.0821 0.7852 1.1327
Medicagol 1.3721 0.8577 0.7752 1.2328 0.8892 0.8731
metabolite 1 0.9294 1.0090 0.7793 1.2044 0.9647 1.1131
metabolite 2 1.0051 0.7919 1.0331 1.4691 0.7595 0.9412
metabolite 3 0.3551 0.3403 1.5704 0.8596 0.6670 2.2077
metabolite 4 0.7655 1.7967 0.8730 0.8087 1.0887 0.6673
Met-Ala-Gly 0.7645 0.9174 1.3181 NA NA NA
Met-Ala-Tyr NA NA NA NA NA NA
Met-Asp-Gly NA NA 1.0319 NA 1.0009 0.9672
Met-Gly NA NA 0.4221 0.5995 1.8066 1.1718
methiin 0.8768 0.7820 0.7764 1.0289 1.2659 1.2701
Methyl 2-diazoacetamidohexonate 0.8508 0.9396 1.2096 NA NA NA
Methyl cinnamate 1.7723 0.3539 0.4995 0.3643 1.2248 1.7852
Met-Met-Gln NA NA NA 1.0843 NA 0.9157
Met-Met-Met 0.6021 0.7259 0.8696 0.3119 2.2769 1.2137
Met-Met-Val 1.3150 1.0736 1.0047 1.3739 0.1239 1.1089
Met-Thr-Asp 0.3948 0.5254 0.5303 1.5625 1.4092 1.5778
Met-Trp-Trp-Tyr NA NA 0.9599 NA NA 1.0401
mildronate 0.2961 0.3569 0.3899 1.3295 1.9358 1.6918
N1-Methyl-2-pyridone-5-carboxamide 0.9739 1.1081 1.0802 0.8276 0.9009 1.1093
N1-Methyl-4-pyridone-5-carboxamide NA NA 0.9343 NA 0.6871 1.3567
N1,N8-diacetylspermidine 0.2578 0.2986 0.1691 1.7430 1.4611 2.0704
N-(2,3-Dihydroxybenzoyl)-L-serine NA NA NA 1.0311 0.9366 1.0323
N2-Acetyl-L-lysine 0.8531 0.9913 1.0956 0.9853 1.0009 1.0737
N2-(D-1-Carboxyethyl)-L-arginine 1.1753 1.2492 1.3636 0.6702 0.6655 0.8762
N2-(D-1-Carboxyethyl)-L-lysine 0.6907 0.7184 0.6410 1.3903 1.0510 1.5087
N2-Succinyl-L-arginine 0.8363 0.5149 0.6604 0.4095 1.5835 1.2784
N2-Succinyl-L-ornithine 0.4322 0.5019 0.4476 1.5298 1.4403 1.6482
N3-(4-methoxyfumaroyl)-L-2,3-diaminopropanoate 1.0440 1.1309 1.1007 0.7744 0.6720 1.2781
N-(3-acetamidopropyl)-4-aminobutanal 0.0943 0.0944 0.1694 0.2226 4.1538 1.2655
N-(3-Oxooctanoyl)homoserine lactone NA 0.4514 NA 1.5512 NA 0.6317
N4-Acetylaminobutanal 0.5301 0.5374 1.2756 0.4853 2.5058 0.6657
N5-acetyl-N5-hydroxy-L-ornithine 0.2107 0.2950 1.0497 0.1504 1.7806 2.5136
N5-(L-1-Carboxyethyl)-L-ornithine 0.9457 1.3682 1.0436 0.6957 0.7528 1.1940
N6-Acetyl-L-lysine 0.9563 1.2955 1.2289 0.8708 0.7867 0.8617
N6-Acetyl-N6-hydroxy-L-lysine 0.2242 0.2557 0.9173 0.8050 1.4544 2.3434
N6-Acetyl-N6-hydroxy-L-lysine 2 0.2242 0.2557 0.9173 0.8050 1.4544 2.3434
N6-Hydroxy-L-lysine NA NA NA 0.8726 1.1897 1.0641
N6-Methyl-L-lysine 0.4892 0.5164 0.5183 1.2727 1.6884 1.5149
N6,N6-Dimethyladenosine NA NA NA 1.0451 NA 0.8646
N6,N6,N6-Trimethyl-L-lysine 0.2817 0.3337 0.3074 1.7350 1.6824 1.6599
N-Acetyl-ala-ala-ala-methylester NA NA NA NA NA NA
N-Acetyl-aspartyl-glutamate 1.0187 1.0787 0.8890 NA 0.8274 1.1863
N-Acetyl-aspartyl-glutamate 2 1.0187 1.0787 0.8890 NA 0.8274 1.1863
N-Acetyl-aspartyl-glutamate 3 1.0187 1.0787 0.8890 NA 0.8274 1.1863
N-acetyl-demethylphophinothricin 0.6543 1.2551 1.0859 1.0289 0.8515 1.1243
N-acetyl -D- glucosaminitol 1.1383 1.5429 1.3584 0.5524 0.6585 0.7495
N-acetyl -D- glucosaminitol 2 1.1383 1.5429 1.3584 0.5524 0.6585 0.7495
N-Acetylindoxyl 1.2322 1.2543 1.2191 0.6904 0.8072 0.7967
N-acetyl-(L)-arginine 0.8044 0.6202 0.7919 1.0164 1.3055 1.4616
N-Acetyl-L-citrulline 1.2286 0.9779 1.2108 0.5711 1.0013 1.0103
N-Acetyl-L-glutamate 0.3875 0.4624 0.3999 1.5663 1.4186 1.7652
N-Acetylornithine 0.8917 1.0690 1.1190 0.8249 0.7624 1.3328
N-Acetylputrescine 0.4421 0.4381 0.3995 1.6271 1.6491 1.4440
N-Acetylvanilalanine NA NA NA NA NA NA
NAD+ 0.5052 0.4688 0.6246 1.4943 1.2332 1.6739
NADP+ 1.0607 1.0315 0.8731 1.2753 0.5748 1.1847
N-Benzyloxycarbonylglycine 1.0983 1.2652 0.5654 1.2728 0.8673 0.9310
N-Carbamoyl-L-aspartate 1.4862 1.5812 1.5063 0.4508 0.3910 0.5845
N-Carbamyl-L-glutamate 0.1803 0.2054 0.2269 1.6354 1.8165 1.9355
N-Decanoylglycine 1.1548 1.3810 0.8392 0.6008 0.6105 1.4137
N-dimethylethanolamine 0.8380 1.0129 1.0338 1.1917 0.9341 0.9893
Ne,Ne dimethyllysine 0.1703 0.1806 0.1692 1.8911 1.6678 1.9210
Neopterin 0.1197 0.0695 0.0800 1.2452 1.2391 1.4260
N-Ethylglycocyamine 0.4161 1.1125 1.5116 0.6169 0.6040 1.7389
N-Ethylmaleimide 0.7274 0.8582 0.7927 1.0680 1.2203 1.3333
N-Ethylmaleimide 2 0.7274 0.8582 0.7927 1.0680 1.2203 1.3333
N-ethylsuccinimide 0.6648 0.6823 0.9711 0.5863 1.1569 1.9386
N-Formimino-L-glutamate 1.0765 1.1075 0.6309 1.5163 0.6533 1.0155
NG,NG-Dimethyl-L-arginine 0.2040 0.2126 0.1883 2.0030 1.7080 1.6841
N-Heptanoylhomoserine lactone 0.7791 0.9465 0.8444 1.4387 0.8672 1.1242
N-hydroxyvaline 0.4817 0.6216 0.5017 1.6920 1.0551 1.6480
Nicotinamide 1.0751 1.1533 1.2036 0.7418 0.9513 0.8749
nicotinamide riboside 0.8973 0.8787 0.7698 1.0860 0.9229 1.1425
nitrocyclohexane 0.7962 0.8096 1.0853 0.9581 1.1232 1.2277
N,N-Dimethylglycine 0.9203 1.0735 1.0388 0.9371 0.9854 1.0449
N-Nonanoylglycine 0.9388 1.1011 1.1555 1.4356 0.6158 0.7531
N-(octanoyl)-L-homoserine 1.2316 1.2965 1.1783 0.7630 0.7013 0.8292
nornorcapsaicin 1.1752 1.3470 0.7918 0.5535 0.6124 1.5201
N-palmitoyl phenylalanine 1.0879 0.9576 1.0214 0.4999 1.0912 1.3420
N(pi)-Methyl-L-histidine 0.9546 0.9956 1.0249 0.9364 1.0376 1.0510
N-stearoyl histidine 0.2166 NA NA 1.5509 0.5764 1.1339
N-stearoyl tyrosine 1.1378 1.2544 1.5425 0.0678 0.0640 NA
N-succinyl-L-citrulline 0.3136 0.2890 1.0075 0.0847 1.1274 3.1778
O-Acetylcarnitine 0.6711 0.7635 0.7121 1.2395 1.2194 1.3943
O-Acetylcarnitine 2 0.6711 0.7635 0.7121 1.2395 1.2194 1.3943
O-Acetylneuraminic acid 0.9710 0.8230 1.2026 1.0191 0.7841 1.2002
O-Butanoylcarnitine 1.3015 1.5640 1.4858 0.5988 0.5116 0.5383
Octylamine 0.4583 1.2305 0.9923 0.2901 1.9935 1.0352
O-Phospho-L-serine NA NA NA 1.1070 0.8251 1.0680
O-Propanoylcarnitine 1.2695 1.6181 1.7066 0.4346 0.4746 0.4966
O-Succinyl-L-homoserine 0.3195 0.3947 0.4823 1.6179 0.6906 2.4950
O-Succinyl-L-homoserine 2 0.3195 0.3947 0.4823 1.6179 0.6906 2.4950
Ovothiol disulfide 0.8854 1.2556 0.8590 NA NA NA
p-aminobenzoyl glutamate 0.8061 0.5860 NA 1.5613 0.5180 1.3906
[PC (14:0/18:1)] 1-tetradecanoyl-2-(11Z-octadecenoyl)-sn-glycero-3-phosphocholine 0.9524 0.9891 1.1067 0.9439 0.9808 1.0271
[PC (14:0/18:2)] 1-tetradecanoyl-2-(9Z,12Z-octadecadienoyl)-sn-glycero-3-phosphocholine 0.8841 0.8387 0.9876 1.0352 1.2033 1.0511
[PC (14:0)] 1-tetradecanoyl-sn-glycero-3-phosphocholine 1.0252 1.1084 1.0740 0.9992 0.7893 1.0038
PC(14:1(9Z)/15:0) 1.6433 1.5056 1.7227 0.3914 0.3534 0.3836
[PC (15:0/15:0)] 1,2-dipentadecanoyl-sn-glycero-3-phosphocholine 1.0057 1.0646 1.1526 0.9172 0.8236 1.0363
[PC (15:0)] 1-pentadecanoyl-sn-glycero-3-phosphocholine 0.8334 1.1892 1.1323 0.8669 0.7757 1.2025
[PC (16:0/16:0)] 1-hexadecanoyl-2-hexadecanoyl-sn-glycero-3-phosphocholine 0.5744 0.6286 0.5486 1.4454 1.2736 1.5293
[PC (16:0/18:1)] 1-hexadecanoyl-2-(11Z-octadecenoyl)-sn-glycero-3-phosphocholine 0.9257 1.0332 0.9462 1.0210 0.9913 1.0826
[PC (16:0/18:2)] 1-hexadecanoyl-2-(9Z,12Z-octadecadienoyl)-sn-glycero-3-phosphocholine 1.2935 1.3716 1.3507 0.6653 0.6657 0.6532
[PC (16:0/18:3)] 1-hexadecanoyl-2-(9Z,12Z,15Z-octadecatrienoyl)-sn-glycero-3-phosphocholine 1.0321 1.0218 1.1861 0.9586 0.9646 0.8368
[PC (16:0)] 1-hexadecanoyl-sn-glycero-3-phosphocholine 1.0224 0.9926 1.0544 0.9916 0.9197 1.0193
[PC (16:0/20:4)] 1-hexadecanoyl-2-(5Z,8Z,11Z,14Z-eicosatetraenoyl)-sn-glycero-3-phosphocholine 0.6848 0.6753 0.7578 1.3222 1.4144 1.1455
[PC (16:0/22:6)] 1-hexadecanoyl-2-(4Z,7Z,10Z,13Z,16Z,19Z-docosahexaenoyl)-sn-glycero-3-phosphocholine 1.0687 1.0771 1.2863 0.8649 0.8907 0.8123
[PC (16:0/3:0)] 1-hexadecanoyl-2-(2E-propionyl)-sn-glycero-3-phosphocholine NA 0.1704 0.3647 0.1839 2.0541 0.7063
PC(16:0/5:0(CHO)) 0.3894 0.7678 0.3998 1.4845 0.8697 2.0889
PC(16:0/5:0(COOH)) 0.5012 0.9706 0.7624 0.6217 1.0097 2.1344
PC(16:0/P-18:1(11Z)) 1.0760 1.1405 1.0368 0.7395 0.9722 1.0350
[PC (16:1)] 1-(1Z-hexadecenyl)-sn-glycero-3-phosphocholine 1.2886 1.2866 1.3545 0.4353 0.9475 0.6875
[PC (16:2)] 1-hexadecyl-sn-glycero-3-phosphocholine 0.9557 0.9151 0.9881 1.1767 0.8973 1.0672
[PC (18:0/22:4)] 1-octadecanoyl-2-(7Z,10Z,13Z,16Z-docosatetraenoyl)-sn-glycero-3-phosphocholine 0.8463 0.9344 1.0324 1.1990 1.0693 0.9186
[PC (18:0/22:5)] 1-octadecanoyl-2-(4Z,7Z,10Z,13Z,16Z-docosapentaenoyl)-sn-glycero-3-phosphocholine 0.9525 1.0425 1.2388 1.0006 0.9502 0.8155
PC(18:0/P-18:1(11Z)) 0.2110 0.2452 NA 1.0951 1.1446 1.2749
[PC (18:1)] 1-(11Z-octadecenyl)-sn-glycero-3-phosphocholine 0.8911 0.9683 1.0196 1.0032 1.0492 1.0686
[PC (18:1/18:1)] 1-(9Z-octadecenoyl)-2-(9Z-octadecenoyl)-sn-glycero-3-phosphocholine 1.4171 1.4712 1.4416 0.5711 0.5725 0.5264
[PC (18:1/20:3)] 1-(9Z-octadecenoyl)-2-(5Z,8Z,11Z-eicosatrienoyl)-sn-glycero-3-phosphocholine 0.8546 0.8603 0.9649 1.1503 1.1767 0.9933
[PC (18:1/22:5)] 1-(11Z-octadecenoyl)-2-(7Z,10Z,13Z,16Z,19Z-docosapentaenoyl)-sn-glycero-3-phosphocholine 1.1973 1.2220 1.3605 0.8112 0.7363 0.6727
[PC (18:2)] 1-(9Z,12Z-octadecadienoyl)-sn-glycero-3-phosphocholine 1.0749 1.0870 1.1163 0.9341 0.9329 0.8547
[PC (19:3)] 1-(10Z,13Z,16Z-nonadecatrienoyl)-sn-glycero-3-phosphocholine 0.0918 0.0329 NA 1.9433 0.8490 1.1356
PC(22:2(13Z,16Z)/P-18:1(11Z)) 0.6259 0.6233 0.7297 1.4190 1.3787 1.2233
PC(22:4(7Z,10Z,13Z,16Z)/P-18:0) 0.5748 0.5260 0.5726 1.4530 1.6400 1.2335
PC(22:4(7Z,10Z,13Z,16Z)/P-18:1(11Z)) 0.4563 0.4806 0.5157 1.4312 1.7381 1.3780
[PC (22:6)] 1-(4Z,7Z,10Z,13Z,16Z,19Z-docosahexaenoyl)-sn-glycero-3-phosphocholine 0.9148 0.6058 0.8762 1.6400 1.0366 0.9265
[PC acetyl(16:1)] 1-(9Z-hexadecenoyl)-2-acetyl-sn-glycero-3-phosphocholine 0.7691 0.8787 0.4044 2.4487 0.5346 0.9647
[PE (16:0/16:0)] 1,2-dihexadecanoyl-sn-glycero-3-phosphoethanolamine 1.4790 1.6954 1.6013 0.4200 0.3627 0.4416
[PE (16:0/18:2)] 1-hexadecanoyl-2-(9Z,12Z-octadecadienoyl)-sn-glycero-3-phosphoethanolamine 1.2872 1.1724 1.3140 0.8387 0.6449 0.7428
[PE (16:0/18:3)] 1-hexadecanoyl-2-(9Z,12Z,15Z-octadecatrienoyl)-sn-glycero-3-phosphoethanolamine 1.4343 1.4276 1.6526 0.5539 0.4947 0.4369
[PE (16:0/20:4)] 1-hexadecanoyl-2-(5Z,8Z,11Z,14Z-eicosatetraenoyl)-sn-glycero-3-phosphoethanolamine 0.8702 0.8389 0.9357 1.1767 1.2109 0.9676
[PE (16:0/22:6)] 1-hexadecanoyl-2-(4Z,7Z,10Z,13Z,16Z,19Z-docosahexaenoyl)-sn-glycero-3-phosphoethanolamine 0.8529 0.9034 1.0018 1.1989 1.0207 1.0224
[PE (18:0)] 1-octadecanoyl-sn-glycero-3-phosphoethanolamine 0.8908 0.9048 0.8779 1.2594 0.8514 1.2157
[PE (18:1)] 1-(9Z-octadecenoyl)-sn-glycero-3-phosphoethanolamine 0.6031 0.7027 0.4794 1.9091 0.8960 1.4097
[PE (18:1/20:4)] 1-(1Z-octadecenyl)-2-(5Z,8Z,11Z,14Z-eicosatetraenoyl)-sn-glycero-3-phosphoethanolamine 1.3007 1.1921 1.4912 0.4986 0.9207 0.5967
PE(18:3(6Z,9Z,12Z)/P-18:1(11Z)) 1.3371 1.3336 1.4004 0.5017 0.8706 0.5566
[PE (20:4)] 1-(5Z,8Z,11Z,14Z-eicosatetraenoyl)-sn-glycero-3-phosphoethanolamine 0.6023 0.4402 0.4859 2.1260 1.0979 1.2477
PE(20:4(5Z,8Z,11Z,14Z)/P-18:1(11Z)) 1.2266 1.2670 1.4844 0.4856 1.0504 0.4860
PE(22:4(7Z,10Z,13Z,16Z)/P-18:1(11Z)) 1.3272 1.3096 1.6227 0.4499 0.7857 0.5049
Perillyl alcohol 0.8936 0.6960 1.2332 0.8137 1.4985 0.8651
Phe-Gly 1.8196 1.5114 0.8609 0.5338 NA 0.2744
Phenylethylmalonamide 1.6224 1.6562 0.8703 0.5171 NA 0.3340
Phe-Pro 0.9674 1.5089 1.6375 NA 0.1820 0.1472
Phe-Trp 0.4771 0.6172 0.6182 0.7585 1.6447 1.8842
Phosphocreatine 0.0490 0.0498 0.0464 2.2751 1.4821 2.0976
Phosphonoacetaldehyde 0.5128 0.6789 0.7022 1.3779 1.2535 1.4746
Picolinamide 0.5719 0.6359 0.5751 1.3617 1.3106 1.5448
Piperidine 0.9602 0.9635 0.9786 1.1898 0.9856 0.9225
Pro-Arg-His 0.9395 1.0424 0.9753 0.9832 1.0129 1.0466
Pro-Arg-His 2 0.9395 1.0424 0.9753 0.9832 1.0129 1.0466
Pro-Pro 0.3724 0.9186 0.3872 2.1301 0.7632 1.4285
Pro-Ser-Ser 1.5716 1.5331 1.5828 0.3323 0.3810 0.5992
Protoporphyrin NA NA NA 1.4792 0.5363 0.9845
PS(12:0/15:0) 1.1277 1.4277 1.1106 0.5681 0.5501 1.2156
PS(18:0/18:1(9Z)) 0.7313 1.5163 0.5341 1.0284 0.6590 1.5310
[PS (18:0/20:4)] 1-octadecanoyl-2-(5Z,8Z,11Z,14Z-eicosatetraenoyl)-sn-glycero-3-phosphoserine 1.0217 0.9702 1.1295 0.9681 1.0259 0.8846
PS(18:0/22:5(7Z,10Z,13Z,16Z,19Z)) 1.3277 1.1557 1.4448 0.7102 0.7408 0.6208
PS(22:1(11Z)/0:0) 0.6911 1.1943 0.6592 1.3064 0.5958 1.5531
PS(36:2) 0.6506 1.3623 0.6720 1.9608 0.5430 0.8113
PS(38:2) 0.7049 1.1344 0.5738 1.1273 0.8471 1.6126
PS(38:5) 0.9598 0.8844 1.0177 1.1023 1.1293 0.9065
PS(40:4) 1.0545 1.0447 1.2324 0.9404 0.9056 0.8225
psicoselysine 0.7021 0.8414 0.9707 1.1995 0.5025 1.7838
PS(O-16:0/22:2(13Z,16Z)) 1.2235 1.3118 0.7221 1.4342 0.5327 0.7757
PS(O-18:0/20:3(8Z,11Z,14Z)) 0.8272 1.0789 0.5888 1.6181 0.7869 1.1001
PS(O-18:0/20:5(5Z,8Z,11Z,14Z,17Z)) NA 0.4026 NA 1.8111 0.3730 0.7962
PS(O-18:0/22:4(7Z,10Z,13Z,16Z)) 0.7728 0.6196 0.5032 1.5172 1.1673 1.4199
PS(O-20:0/20:5(5Z,8Z,11Z,14Z,17Z)) 0.6564 0.6752 0.5259 1.7407 0.8670 0.9960
Pyridoxal 0.8905 0.9753 1.2398 0.4512 1.5652 0.8781
Pyridoxamine 0.8046 0.8737 0.9907 0.6986 1.6359 0.9965
Pyridoxine 0.5500 0.5451 0.4378 1.4746 1.3497 1.6428
Quinolin-2-ol NA 1.0110 NA 1.3212 NA 0.6678
Retronecine 1.5035 1.8855 1.9424 0.1971 0.2397 0.2318
Riboflavin 0.8484 1.0192 0.8765 0.8773 0.6127 1.6369
Ricinine 1.1864 1.1774 1.1002 0.6933 0.7728 1.0699
S-Adenosyl-L-homocysteine 0.7467 1.6010 1.6053 1.0617 0.5625 0.4229
S-Adenosyl-L-methionine 0.5613 0.6187 0.7150 0.9101 1.9781 1.2168
(-)-Salsolinol 0.9798 0.8144 0.8298 0.9015 1.0477 1.1592
Sanguinarine 0.4481 0.6354 1.2607 0.5406 2.2471 0.8680
S-Butyl-DL-homocysteine-[S,R]-sulfoximine NA 0.5576 NA 0.7832 1.0266 1.3377
(S)-Coclaurine 0.9971 0.9948 1.0739 0.9766 1.0865 0.8710
Slaframine 1.2271 1.2219 1.2075 0.7462 0.7691 0.8281
Slaframine 2 1.2271 1.2219 1.2075 0.7462 0.7691 0.8281
SM(d16:1/18:1) 1.1045 0.9807 1.1419 0.8999 0.9149 0.9580
SM(d16:1/22:1) 1.2032 1.1676 0.9772 0.7468 0.8018 1.1034
SM(d18:0/24:1(15Z)(OH)) 0.6529 0.6826 0.3272 2.5390 0.6939 1.1043
SM(d18:1/14:0) 1.0929 1.0560 1.2959 0.8537 0.8075 0.8939
SM(d18:1/17:0) 1.2278 1.2900 1.1777 0.6493 0.5298 0.8517
SM(d18:1/18:0) 1.1658 1.1570 0.8016 0.9148 0.8470 1.1138
SM(d18:1/18:1(9Z)) 1.1022 1.0075 1.1855 0.8841 0.8660 0.9547
SM(d18:1/22:0) 1.1375 1.2400 1.0917 1.0024 0.6459 0.8824
SM(d18:1/22:1(13Z)) 1.1721 1.3938 0.8932 0.8262 0.7636 0.9510
SM(d18:1/24:1(15Z)) 1.2175 1.1544 0.9579 0.9394 0.7145 1.0164
sn-glycero-3-Phosphocholine 1.5221 1.7225 1.7377 0.3775 0.2739 0.3663
sn-glycero-3-Phosphoethanolamine 1.1921 1.4820 1.2546 0.8750 0.4484 0.7479
(S)-Norcoclaurine NA NA NA 0.6696 1.1031 1.2273
[SP (16:0)] N-(hexadecanoyl)-sphing-4-enine 0.4988 0.5158 0.5627 1.4760 1.5497 1.3970
[SP (16:0)] N-(hexadecanoyl)-sphing-4-enine-1-phosphocholine 0.9503 0.8406 0.8740 1.0919 1.0146 1.2286
[SP (2:0)] sphinga-4E,14Z-dienine 0.9423 1.3292 1.2047 1.2771 0.6314 0.6152
[SP] 3-dehydrosphinganine 0.0660 0.0720 0.0849 1.8342 1.9585 1.9844
[SP amino,tetramethyl(4:0/18:0/3:0)] 2S-amino-5,9,13,17-tetramethyl-8E,16-octadecadiene-1,3R,14-triol 0.9571 0.8595 0.7617 0.8553 0.9895 1.5770
[SP hydrox] 6-hydroxysphing-4E-enine 0.9959 1.0984 1.3030 0.9467 0.7082 0.9478
[SP] Sphing-4-enine-1-phosphate NA NA NA 0.9309 1.0533 1.0158
[SP] Sphinganine-1-phosphate NA NA NA 1.0507 0.9279 1.0213
S-Succinylglutathione 0.7303 1.0029 0.2964 1.7088 0.7994 1.4621
[ST (2:0)] 5alpha-cholesta-8,24-dien-3beta-ol 0.8414 1.1354 0.6916 0.7892 0.7841 1.7582
[ST (20:5)] cholest-5-en-3beta-yl (5Z,8Z,11Z,14Z,17Z-eicosapentaenoate) 1.1206 0.8285 NA 1.1148 0.9332 NA
[ST (3:0)] (5Z,7E)-(1S,3R)-24-nor-9,10-seco-5,7,10(19)-cholatriene-1,3,23-triol 0.6228 0.3274 0.4476 1.8657 1.5594 1.1771
[ST (3:0)] (5Z,7E)-(1S,3R,24R)-22-oxa-9,10-seco-5,7,10(19)-cholestatriene-1,3,24-triol 1.5784 0.9806 1.0608 0.6790 1.0163 0.6850
[ST (3:0)] cholest-5Z,7Z,24-trien-3beta-ol 0.7197 1.6050 0.5221 0.7927 0.8074 1.5531
[ST] (5Z,7E)-9,10-seco-5,7,10(19)-cholestatriene 0.9638 0.9467 1.1374 0.9645 0.9311 1.0565
[ST] (5Z,7E)-9,10-seco-5,7,10(19)-cholestatriene 2 0.9638 0.9467 1.1374 0.9645 0.9311 1.0565
Stachydrine 1.7313 2.1300 2.1087 0.0099 0.0104 0.0097
Stearoylcarnitine 1.5756 1.8439 1.9789 0.2049 0.2020 0.1947
[ST hydroxy(5:0)] 3-hydroxy-estra-1,3,5(10),6,8-pentaen-17-one NA NA NA 0.7602 0.8424 1.3974
Suberylglycine NA NA NA NA NA 1.0000
Succinyl proline 0.7449 1.4786 0.9316 0.6085 1.1621 1.0515
Tazettine 1.2208 0.1422 0.4907 NA 1.0470 1.5274
Tenuazonic acid 0.5233 0.6092 0.6982 2.6308 0.6140 0.9245
Tetradecanoylcarnitine 1.2392 1.3622 1.4908 0.6142 0.7384 0.5552
Tetrapentylammonium 0.0747 0.0446 0.0554 1.6650 2.2964 1.8639
Thalicsessine 0.6371 0.6183 0.5069 1.1537 1.2765 1.8076
Thiamin 0.8795 0.8270 0.7699 1.0526 1.2628 1.2082
Thiomorpholine 3-carboxylate 0.2554 0.4766 0.9442 2.3139 0.9467 1.0633
Thiomorpholine 3-carboxylate 2 0.2554 0.4766 0.9442 2.3139 0.9467 1.0633
Thr-Ala 0.2574 0.2753 0.2734 1.6371 1.6495 1.9073
Thr-Ala-Asp 1.6096 1.5465 1.4650 0.5704 0.4006 0.4078
Thr-Cys 0.4056 0.4756 0.3081 1.5063 1.5449 1.7596
Thr-Cys 2 0.4056 0.4756 0.3081 1.5063 1.5449 1.7596
trans-Hexadec-2-enoylcarnitine 1.4326 1.5906 1.6671 0.4152 0.5074 0.3872
Tributyl phosphate 0.9351 1.0220 1.4947 0.6932 0.9720 0.8829
Tris(butoxyethyl)phosphate 1.1073 1.0262 0.9804 0.7592 1.1899 0.9370
Trp-Trp-Tyr-Tyr 0.4774 0.4691 0.4649 1.4258 1.2048 1.9581
Tyr-OEt NA 0.6588 NA 1.4628 0.6132 1.2652
UDP 0.2621 0.3098 0.3104 1.6982 1.5765 1.8429
Urethane 0.2718 0.2851 0.2313 0.4717 2.5830 1.1815
Urethane 2 0.2718 0.2851 0.2313 0.4717 2.5830 1.1815
Urocanate 0.6740 2.0299 0.6288 0.7511 0.6195 1.2967
Val-Asn-Asp 0.8812 0.6310 0.6955 1.3479 1.1290 1.3154
Valeroidine 0.4284 0.5465 0.4666 1.9000 0.9337 1.3565
Val-Gly 0.9466 1.7935 1.8425 0.4345 0.3880 0.5949
Val-Pro-Arg 1.0819 1.4665 1.0766 0.4988 0.5567 1.3196
Val-Ser 0.4639 0.4892 0.9593 0.2409 1.6731 2.1736
Verticine 0.8412 1.0500 1.1184 0.5335 1.1426 1.3143
(Z)-4-Hydroxyphenylacetaldehyde-oxime 0.8579 0.9647 0.9177 1.3878 0.9205 0.9514
ZAPA 0.6794 0.3828 0.7801 0.9934 1.3166 1.6420
Run Hierarchial cluster analysis on this study | Run Heatmap cluster analysis on this study

Factors:

F1Cell type:Mature erythrocyte | Glucose labelling:C13 glucose | timepoint:1 hour
F2Cell type:Mature erythrocyte | Glucose labelling:C13 glucose | timepoint:20 hours
F3Cell type:Mature erythrocyte | Glucose labelling:unlabelled | timepoint:20 hours
F4Cell type:Reticulocyte | Glucose labelling:C13 glucose | timepoint:1 hour
F5Cell type:Reticulocyte | Glucose labelling:C13 glucose | timepoint:20 hours
F6Cell type:Reticulocyte | Glucose labelling:unlabelled | timepoint:20 hours
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