Data for (Study ST003179)

(Analysis AN005221)

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

MetaboliteF1F2F3F4
11-nitro-1-undecene 1.0235 0.7429 1.2637 0.9620
"1,2,3-Tris(1-ethoxyethoxy)propane" 1.0087 0.9157 1.0110 1.0618
"1,2-Dihydroxy-3-keto-5-methylthiopentene" 1.4611 0.6048 1.1495 0.6309
1(2H)-Isoquinolinone 1.1780 0.8439 1.1772 0.7415
"(1,3-diphenylpropoxy)sulfonic acid" 1.1167 1.0258 0.9379 0.8807
1-5-diazabicyclononane 0.7594 1.3054 1.0430 0.9725
15(R)-hydroperoxy-EPE 1.0009 1.0191 0.9865 0.9931
"16-bromo-hexadecadien-5,13-diynoic acid" 1.4452 0.7283 1.0120 0.6660
16-dimethylarsinoyl-hexadecenoic acid 1.2943 0.7896 1.1588 0.6592
17-AAG 0.8384 1.1111 0.9885 1.1158
1-Caffeoyl-4-deoxyquinic acid 1.3259 0.8276 0.9617 0.7763
1-dimethylarsinoyl-decane 1.5817 0.5270 1.0635 0.6339
1-(hexadecanoyl)-2-(8-[3]-ladderane-octanyl)-sn-glycerol 1.4316 0.7173 0.9478 0.7593
1H-Indole-3-acetamide 0.7097 1.8857 0.6015 0.8999
1-Methylhistidine 1.2870 0.7783 1.0541 0.7850
1-O-alpha-D-glucopyranosyl-(2-tetradecanoyloxy)-eicosane 0.8706 1.0218 0.9266 1.2242
1-octyl-2-octyl-sn-glycero-3-phosphocholine 0.9571 0.9791 1.0298 1.0483
1-Pyrroline-5-carboxylic acid 0.9772 1.0342 0.9970 0.9992
20-hydroxy-prefusarin 1.3679 0.6790 1.2551 0.5754
2-{[1-(R)-Carboxyethyl]amino}pentanoate 1.0736 1.0038 0.9280 0.9700
"2,3-Butanediol glucoside" 0.9875 1.0218 0.4554 1.8202
"2-{[(4-methoxybenzyl)(methyl)amino]methyl}-2-methylpropane-1,3-diol" 1.2125 0.8328 1.0670 0.8168
2-acetamidoglucal 0.9446 1.0284 0.9328 1.1127
"2-Acetyl-1,5,6,7-tetrahydro-6-hydroxy-7-(hydroxymethyl)-4H-azepine-4-one" 1.1093 0.9637 0.9865 0.9040
2-acetyl-1-alkyl-sn-glycero-3-phosphocholine 0.6536 1.2898 0.9453 1.2269
2-Amino-3-(1-pyrazolyl)propanoic acid 1.6139 0.6173 0.9380 0.6261
2-Amino-4-[(2-hydroxy-1-oxopropyl)amino]butanoic acid 2.0743 0.3554 0.8862 0.3259
"2-Amino-9,10-epoxy-8-oxodecanoic acid" 0.9716 1.0809 0.9785 0.9785
2-Aminoheptanoate 1.0112 1.0039 1.0205 0.9606
2-{[hydroxy(5-hydroxy-1H-indol-3-yl)methylidene]amino}acetic acid 1.4099 0.7690 0.8691 0.8154
2-Hydroxycaproic acid 0.9222 0.8458 1.1504 1.1075
2-Keto-6-acetamidocaproate 1.1075 0.9102 1.1731 0.7734
2-methyladenine ribotide phosphate 1.5407 0.6242 1.0413 0.6136
2-Methylbutyroylcarnitine 1.0699 0.9641 0.9254 1.0174
2-methylphosphinoyl-2-hydroxyacetate 0.9633 0.9715 1.0934 0.9839
"2-N,6-N-Bis(2,3-dihydroxy-N-benzoyl)-L-serine" 1.0067 1.0573 0.9815 0.9522
2-nitro-1-propanol 1.7327 0.6113 0.9472 0.4645
2-Nitropropane 1.1644 0.9790 0.9824 0.8193
2-(N-Methyl-perfluorooctane sulfanamido) acetic acid 1.5403 0.6932 0.4490 0.7773
2-Nonenoic acid 1.0630 1.0483 1.0704 0.7973
2-O-methyl cyclic 3-deoxy-D-arabino-heptulosonate 7-phosphate 1.1347 0.8548 0.9346 0.8826
2-Oxoarginine 1.3506 0.7764 0.9694 0.7868
2-Pyrrolidinone 0.9346 1.2300 0.8811 0.9761
"(2R*,3R*)-1,2,3-Butanetriol" 1.0562 1.0427 0.9934 0.8890
"(2R,4S)-2,4-Diaminopentanoate" 1.0253 0.9878 0.9998 0.9787
"3-(3,4-Dihydroxyphenyl)lactic acid" 1.1824 0.8371 0.9587 0.9611
"3,4,5-trihydroxy-6-({17-hydroxy-11,18-dimethoxy-13-oxo-6,8,20-trioxapentacyclo[10.8.0.0,.0,.0,]icosa-1(12),2(9),4,10,14,16,18-heptaen-15-yl}oxy)oxane-2-carboxylic acid" 1.2982 0.6911 1.1826 0.7286
"3^,4^,5^-Trimethoxycinnamyl alcohol acetate" 0.6270 1.5227 0.9232 1.0514
"3,4-dichloro-tridecanoic acid" 1.4493 0.6070 1.0519 0.7421
"3,4-dihydroxybenzoate-spermidine" 0.9287 1.0225 1.0888 0.9837
"3,4-Dihydroxymandelic acid" 0.8328 1.4606 0.5882 0.9811
3^-amino-3^-deoxyadenosine 1.2743 0.5987 1.4956 0.5399
(3-Arylcarbonyl)-alanine 1.1227 0.7896 1.0369 1.0099
3-Cyanomethyl-3-hydroxy-1H-indol-2(3H)-one 0.5290 1.7966 0.7414 0.9331
3-(Cystein-S-yl)acetaminophen 1.4256 0.5908 1.3101 0.5316
3-Deoxyvitamin D3 0.9009 1.1369 0.8924 1.1029
3-Indoleacetaldoxime 0.7701 1.7410 0.6918 0.8738
3-Methyleneoxindole 0.6910 1.9728 0.7716 0.6676
3-nitro-2-butanol 1.8417 0.3853 1.0281 0.4644
3-nitro-2-pentanol 1.2328 0.5858 1.4569 0.6468
3-O-alpha-L-Arabinopyranosylproanthocyanidin A5^ 1.1274 0.9234 1.0214 0.8854
3-tert-Butyl-5-methylcatechol 0.8416 0.7505 1.3996 1.0611
4-Acetamido-2-aminobutanoic acid 1.6839 0.5286 0.9622 0.5974
4-Guanidinobutanamide 1.2486 0.9549 1.0137 0.7000
4-Guanidinobutanoic acid 1.2125 0.8238 1.0658 0.8271
4-Hydroxybutyric acid 0.9648 0.9572 1.0295 1.0447
4-Hydroxyglucobrassicin 0.5043 1.3944 0.6428 1.6238
4-Methylaminobutyrate 0.9875 0.9716 1.0121 1.0330
4-Pyridoxolactone 1.0668 1.1169 0.9338 0.8602
4-(Trimethylammonio)but-2-enoate 1.0019 1.0474 0.9109 1.0391
5-Amino-3-oxohexanoate 1.0090 0.9913 0.9527 1.0440
5-Aminopentanoic acid 1.2043 0.8692 1.0790 0.7793
5^-Dehydroadenosine 1.4595 0.6727 1.0228 0.6917
5^-deoxyuridine 1.2628 0.7926 1.0325 0.8245
5-Hydroxy-N-formylkynurenine 1.1021 0.8822 1.1323 0.8494
5^-methoxy-6^-chloroarmillane 0.7224 1.0612 1.2275 1.0814
5-Methoxytryptophan 1.6498 0.5540 1.0537 0.5259
5^-Methylthioadenosine 1.3144 0.6447 1.3334 0.6027
5^-methylthioformycin 1.2221 0.7704 1.1912 0.7423
5-Nitro-2-(3-phenylpropylamino)benzoic acid 1.1564 0.9523 1.0089 0.8303
5-Valerolactone 0.9432 1.1066 0.8685 1.0817
"6-(2-Carboxyethyl)-7-hydroxy-2,2-dimethyl-4-chromanone glucoside" 0.8295 1.1069 1.2581 0.8623
"{[6-({3-[3,5-dimethoxy-4-(sulfooxy)phenyl]-11-hydroxy-7-(4-oxocyclohexa-2,5-dien-1-ylidene)-2,8-dioxatricyclo[7.3.1.0,]trideca-1(12),3,5,9(13),10-pentaen-4-yl}oxy)-3,4,5-trihydroxyoxan-2-yl]methyl}oxidanium" 1.1157 0.8273 1.1717 0.8468
"6-[5-(2-{[2-(3,4-dimethoxyphenyl)ethyl]-C-hydroxycarbonimidoyl}ethyl)-2-methoxyphenoxy]-3,4,5-trihydroxyoxane-2-carboxylic acid" 1.3387 0.7537 1.0417 0.7530
"6,7-Dimethyl-8-(1-D-ribityl)lumazine" 1.3161 0.7307 1.1381 0.7097
6-Acetamido-3-aminohexanoate 1.1846 0.6231 1.0929 1.0379
6-allyl-8b-Carboxy-ergoline 0.9934 1.2557 0.8751 0.8779
6-Amino-9H-purine-9-propanoic acid 1.0477 0.9753 1.0642 0.8968
6-Hydroxy-R-acenocoumarol 0.6599 1.8969 0.5292 1.0409
6-Methyltetrahydropterin 0.9130 1.0022 1.0476 1.0663
6-O-Methylarmillaridin 1.2307 NA 0.0773 NA
"7,8-H2pterin-6-ylmethyl-l-(4-aminophenyl)-1-deoxy-5-[1-alpha -D- ribofuranosyl 5-phosphate]-D-ribitol" 0.9386 1.0380 1.0198 1.0240
9^-Carboxy-alpha-chromanol 0.9901 0.8775 1.2144 0.9213
9-mercaptodethiobiotin 1.1167 0.9446 0.9500 0.9497
Acetylcarnitine 1.0016 1.0137 1.0166 0.9675
Acetyl-CoA 1.0661 1.0083 0.9708 0.9328
Acetylhomoserine 1.2889 0.6497 1.0776 0.8875
Acetylphosphopantetheine 1.2505 0.6103 1.4942 0.5616
Acrimarine N 0.8630 1.2282 0.9723 0.9822
acyl phosphatidylglycerol (n-C12:0) 1.0472 1.0715 0.8756 0.9900
Adenosine 1.8180 0.5440 0.8249 0.5405
Adenosine monophosphate 2.5185 0.1868 0.6180 0.1705
Adenosylhomocysteine 1.3232 0.7204 1.1469 0.7018
ADP 2.0181 0.4067 0.8665 0.3693
Agaritinal 0.7749 1.3272 0.8243 1.1486
Ajmaline 0.9237 0.9943 1.0005 1.1070
AK toxin I 1.4523 0.6158 1.1870 0.5941
Ala/Ala 1.1666 0.9882 0.9070 0.8827
Ala/Ala/Ala/Arg 0.7581 1.0588 1.3114 0.9524
Ala/Ala/Ala/Asn 1.1718 0.8896 1.0983 0.7831
Ala/Ala/Ala/Ser 1.0482 1.0108 0.9681 0.9568
Ala/Ala/Asn/Gln 1.4820 0.6048 1.1552 0.5972
Ala/Ala/Asn/Ser 1.2137 0.7799 1.1914 0.7438
Ala/Ala/Asp 1.3600 0.7969 1.0074 0.7157
Ala/Ala/Glu/Arg/Tyr 1.5542 0.6650 1.0265 0.5696
Ala/Ala/Glu/Glu/His 0.9975 0.9811 1.0827 0.9396
Ala/Ala/Glu/Ile/Gln 1.3270 NA 0.8174 0.2397
Ala/Ala/Glu/Ile/Pro 1.2698 0.7639 1.1608 0.7156
Ala/Ala/Glu/Trp/Trp 1.9435 0.2827 1.0790 0.3803
Ala/Ala/Gly/His 1.3948 0.6367 1.1893 0.6476
Ala/Ala/His 1.6241 0.5323 1.1014 0.5341
Ala/Ala/Ile/Pro/Gln 1.3238 0.7557 1.0197 0.7929
Ala/Ala/Phe/His/Arg 1.6464 0.5310 1.1563 0.4509
Ala/Ala/Pro/Arg/Tyr 0.9329 0.9968 1.1585 0.9342
Ala/Ala/Thr 1.7351 0.5222 1.0041 0.4936
Ala/Arg 1.3466 0.8906 0.8048 0.8425
Ala/Arg/Val/Tyr/Tyr 1.6150 0.1731 0.7332 0.1671
Ala/Asn/Asp/Ser 1.1761 0.8540 0.7785 1.1327
Ala/Asn/Pro/Pro 1.9976 0.3888 0.8492 0.4318
Ala/Asn/Ser 1.0652 1.0554 0.8954 0.9623
Ala/Asn/Ser/Tyr/Tyr 1.3429 NA 0.3143 NA
Ala/Asp/Asp/Ile/Ile 1.1886 0.8047 1.0449 0.8989
Ala/Asp/Cys 1.3874 0.6624 1.0958 0.7254
Ala/Asp/Gln/Gln 1.2376 0.8134 0.9767 0.8931
Ala/Asp/Gln/Pro 1.2811 NA 0.6252 NA
Ala/Asp/Gly/Arg 1.8242 0.3858 1.1569 0.3585
Ala/Asp/Ile/Gln/Val 1.3320 0.8775 0.9581 0.7217
Ala/Asp/Ile/Pro/Thr 1.3624 0.6780 1.2082 0.6307
Ala/Asp/Lys/Val/Tyr 2.1255 0.3712 0.7953 0.3328
Ala/Asp/Met/Pro/Val 1.2560 NA 0.6587 NA
Ala/Asp/Met/Thr/Thr 1.2115 0.7993 1.0861 0.8326
Ala/Asp/Phe/Pro/Arg 1.1426 0.8966 0.9858 0.9275
Ala/Asp/Phe/Pro/Trp 2.2996 0.1812 0.9101 0.1759
Ala/Asp/Pro/His 1.2347 NA 0.6871 NA
Ala/Asp/Ser 1.3660 0.7615 0.9939 0.7565
Ala/Asp/Ser/Ser/Trp 0.9579 1.0326 1.1264 0.8971
Ala/Cys/Cys/Cys/Asn 1.9295 0.4716 0.8600 0.4291
Ala/Cys/His/His/Lys 1.2748 NA 0.6336 NA
Ala/Cys/His/Lys/Ser 1.4665 0.2119 0.9000 0.2222
Ala/Cys/Lys/Met/Tyr 0.9756 0.9026 1.0739 1.0479
Ala/Cys/Lys/Ser/Thr 1.4592 0.6046 1.0710 0.7121
Ala/Gln 1.7472 0.5609 0.9331 0.5097
Ala/Gln/Gln/Ser 1.6010 0.5032 1.0103 0.5276
Ala/Gln/Gln/Tyr 1.2052 0.9156 0.9420 0.8689
Ala/Glu 1.3042 0.5015 0.9063 0.5627
Ala/Glu/Asn/Ile 1.2607 NA 0.6523 NA
Ala/Glu/Ile/Lys/Thr 0.7891 1.2718 0.8957 1.1137
Ala/Glu/Ile/Pro/Thr 1.1207 0.7906 1.1858 0.8626
Ala/Glu/Lys/Lys/Trp 1.3886 0.7506 1.0103 0.7209
Ala/Glu/Lys/Lys/Tyr 1.0942 0.9851 1.0218 0.8675
Ala/Glu/Lys/Pro/Pro 2.2500 0.1987 0.5995 0.2680
Ala/Glu/Met/Pro/Thr 1.1935 0.8430 1.0696 0.8294
Ala/His 2.3498 0.1797 0.8914 0.1292
Ala/His/Ile/Ile/Gln 1.1114 0.9290 0.9917 0.9307
Ala/His/Met/Arg/Thr 0.8479 1.0280 1.2112 0.9637
Ala/Ile/Ala/Ile 1.4759 0.6950 0.9706 0.6998
Ala/Ile/Lys/Lys/Trp 0.9911 0.8834 1.0412 1.0872
Ala/Leu/Ala/Gln 1.2342 0.7764 1.1324 0.7789
Ala/Leu/Ala/Ser 1.7047 0.4809 1.1328 0.4467
Ala/Leu/Asn/Ser 1.0443 0.8510 1.2735 0.8164
Ala/Leu/Asp/Asp 1.3190 0.8795 1.0493 0.6458
Ala/Leu/Asp/Pro 1.1391 0.7594 1.1137 0.9120
Ala/Leu/Asp/Ser 1.4988 0.6731 0.9506 0.7111
Ala/Leu/Cys/Gln 2.0422 0.3097 1.0555 0.2453
Ala/Leu/Gly/Pro 1.6463 0.3394 0.6020 0.2694
Ala/Leu/Gly/Ser 1.4319 0.6524 1.0923 0.6795
Ala/Leu/Lys/Pro 0.9940 0.9610 1.0538 0.9932
Ala/Leu/Met/Ser/Thr 2.1989 0.0688 1.2674 0.0653
Ala/Leu/Ser/Ser 1.2382 0.8231 1.1002 0.7591
Ala/Leu/Thr/Ala 0.9961 0.9544 1.0541 0.9968
Ala/Leu/Val/Ser 1.6006 0.4979 1.2059 0.4954
Ala/Lys/Ala/Ala 1.9010 0.1279 0.9659 0.1211
Ala/Lys/Ala/Gln 1.2256 NA 0.6992 NA
Ala/Lys/Asn/Arg/Ser 1.3922 NA 0.2156 NA
Ala/Lys/Asn/Pro/Tyr 1.1194 0.8449 1.0602 0.9358
Ala/Lys/Gln/Thr/Tyr 1.2927 NA 0.8342 0.3264
Ala/Lys/Gln/Val/Tyr 1.1584 0.8426 1.1614 0.7849
Ala/Lys/Val/Gly 1.4759 0.6878 1.0049 0.6728
Ala/Lys/Val/Pro 1.3520 0.7101 1.1171 0.7035
Ala/Met/Met/His 1.0360 0.7211 1.0450 NA
Ala/Met/Met/Pro 2.3117 0.1035 1.0420 0.1056
Ala/Met/Thr/Ser 1.9688 0.2154 1.2980 0.1950
Alanine 1.0058 1.0307 0.9615 1.0001
Ala/Phe/Ala/Ala 1.5178 0.6246 1.1466 0.5385
Ala/Phe/His/Ile/Lys 0.7491 1.3867 0.3871 0.9012
Ala/Phe/His/Pro/Arg 1.3919 0.6839 1.1393 0.6542
Ala/Pro 2.2775 0.0918 1.1183 0.0865
Ala/Pro/Pro 1.4578 0.2257 0.6478 NA
Ala/Pro/Pro/Ser 1.3443 0.7664 1.0237 0.7508
Ala/Pro/Ser/Ser 1.3173 0.7274 1.1027 0.7469
Ala/Thr/Ala/Gln 1.5429 0.5925 1.0525 0.6312
Ala/Thr/Ala/Pro 1.2960 0.7624 1.1539 0.6890
Ala/Thr/Ala/Ser 1.1964 0.7805 1.1466 0.8110
Ala/Thr/Trp/Arg 1.2719 0.7711 1.1553 0.7111
Ala/Thr/Val/Val 1.3647 0.7342 0.9760 0.8035
Ala/Trp/Pro/Pro 2.0147 0.2836 1.1307 0.2327
Ala/Trp/Pro/Tyr 1.5237 0.6232 1.0581 0.6204
Ala/Tyr 1.8221 0.5278 0.9581 0.4179
Ala/Val/Ala/Asn 1.3287 0.7027 1.2003 0.6589
Ala/Val/Asn/Pro 1.3779 0.7344 1.0328 0.7290
Ala/Val/Asp/Pro 1.3913 0.7177 1.0491 0.7115
Ala/Val/Gly/His 1.1338 0.9152 0.9967 0.9097
Ala/Val/Gly/Pro 2.3544 0.0425 1.1102 0.0414
Ala/Val/Ser/Ser 1.9133 0.3918 1.0345 0.3560
Ala/Val/Val/Ser 1.1818 0.8411 1.0454 0.8711
Alexine 1.0743 0.9950 0.9250 0.9809
Allopurinol 1.0352 1.1880 0.6311 1.1340
Allylcysteine 0.9114 0.6702 1.5122 1.2310
Aloesol 7-glucoside 1.2803 0.8220 1.1050 0.6994
"alpha-(2,6-anhydro-3-deoxy-D-arabino-heptulopyranosid)onate 7-phosphate" 1.5423 0.6616 0.9472 0.6682
alpha-Butyl-omega-hydroxypoly(oxyethylene) poly(oxypropylene) 0.9988 1.0869 0.9788 0.9359
alpha-D-desosamine 0.9421 1.0664 0.9797 1.0311
alpha-NADP+ 1.2339 0.8514 0.9861 0.8506
Aminoacetone 1.1223 0.6311 1.5054 0.7004
Anaferine 1.0242 1.0055 0.9740 0.9883
Arg/Asp/Asp/Gly 0.9658 1.0152 0.9324 1.0980
Arg/Asp/Gly/Ser 1.7680 0.4582 1.0762 0.4415
Arginine 1.3150 0.7813 0.9830 0.8156
Arg-OEt 1.4314 0.6229 1.2297 0.5722
Arg/Thr/Asp/Ser 0.8809 0.9879 1.1651 1.0059
Arg/Trp/Gln/Arg 1.3411 NA 0.3178 NA
Arg/Tyr 1.4648 0.1824 0.6528 NA
Asn/Asn 1.2214 0.8285 1.0374 0.8388
Asn/Asn/Asp/Gly 0.8581 1.2186 0.9726 0.9979
Asn/Asn/Ser/Tyr 1.2477 NA 0.6697 NA
Asn/Gln/Thr/Tyr/Tyr 0.9757 0.9647 1.0268 1.0408
Asn/Glu/Asp/Ile 1.2591 0.9164 0.9903 0.7479
Asn/Glu/Ile/Pro 0.9855 0.9840 1.0854 0.9499
Asn/Glu/Ile/Ser 1.1791 NA 0.7612 NA
Asn/Glu/Ile/Tyr 1.6241 0.3535 0.8471 0.2554
Asn/Glu/Ile/Val 1.3961 0.6070 1.1056 0.7593
Asn/Gly/Pro 1.3297 0.7771 1.0372 0.7461
Asn/Gly/Pro/Pro 2.3573 0.0789 1.0373 0.0741
Asn/His 1.8617 0.4129 0.9632 0.4750
Asn/Leu/Gly/Pro 2.2466 0.1627 1.0043 0.1708
Asn/Leu/Lys/Trp 1.5761 0.5912 1.0222 0.6184
Asn/Leu/Met/Ser 2.1210 0.1876 1.1533 0.1644
Asn/Leu/Thr/Pro 1.2724 NA 0.6367 NA
Asn/Lys/Gly/Gly 1.2608 0.7916 1.1256 0.7350
Asn/Met/Gln/Ser 1.7155 0.5316 0.9026 0.6117
Asn/Met/Thr/Thr 1.2007 0.6681 1.4955 0.5688
Asn/Pro/Arg/Thr/Trp 1.1207 0.7307 1.1085 0.9999
Asn/Thr/Asp/Gly 0.9589 1.0146 1.0037 1.0365
Asn/Thr/Thr/Tyr/Tyr 0.8668 1.0571 1.0988 1.0216
Asn/Val/Asp/Gln 2.0043 0.3271 1.0574 0.2765
Asparagine 1.1237 0.9474 0.9154 0.9723
Asp/Asn/Asn/Asn/Ser 1.2140 0.8475 0.9879 0.8792
Asp/Asp/Asp/Arg/Tyr 0.8218 1.1287 1.0121 1.0968
Asp/Asp/Gln/Pro 1.7929 0.4867 1.0219 0.4341
Asp/Asp/His/Asn/Asn 1.1884 0.7597 1.1347 0.8543
Asp/Asp/Ile/Lys/Pro 1.4902 0.5962 1.1304 0.6199
Asp/Cys/Cys/Ser 0.8726 1.3332 0.7675 0.9917
Asp/Gln/Arg/Val/Trp 1.2610 0.8262 1.0369 0.7889
Asp/Glu/Glu/Glu/Ile 0.9471 0.9487 1.1161 1.0057
Asp/Glu/Glu/Lys/Lys 0.9756 0.9340 1.1953 0.9031
Asp/Glu/Leu/Met/Trp 1.4326 0.6035 1.1503 0.6694
Asp/Glu/Lys/Met/Thr 1.0529 0.7509 1.2538 0.9248
Asp/Gly/Asn/Asn/Asn 0.9286 1.0329 1.0030 1.0593
Asp/His/His/Gln/Ser 1.2936 0.4701 1.0651 0.6899
Asp/His/His/Lys/Met 1.2824 0.5988 0.7572 NA
Asp/His/Ser/Ser/Ser 2.2424 0.1896 0.9418 0.2121
Asp/Ile/Ile/Asn/Pro 1.2598 0.7876 1.1350 0.7311
Asp/Ile/Lys/Lys/Ser 1.4463 0.6442 1.2704 0.4904
Asp/Ile/Pro/Pro/Ser 1.0743 0.8687 1.1444 0.8879
Asp/Leu/Lys/Lys 1.0609 0.9593 0.9598 0.9997
Asp/Leu/Pro/Ser 1.2203 0.8288 1.1357 0.7418
Asp/Lys/Lys/Pro/Tyr 1.1200 0.9673 1.0768 0.7960
Asp/Met/Cys/Cys 0.9755 0.9868 1.0771 0.9688
Asp/Met/Met/Arg/Tyr 0.6033 1.6521 0.6655 1.0791
Asp/Phe/Gly/Gly 1.3084 0.7830 1.0689 0.7369
Asp/Phe/Ile/Lys/Asn 0.9656 0.9939 1.0408 1.0112
Asp/Phe/Lys/Gln/Tyr 0.9165 1.0929 0.8923 1.1260
Asp/Phe/Phe/Pro/Pro 1.2481 NA 0.6692 NA
Asp/Phe/Trp/Val 1.2222 0.8111 1.1213 0.7714
Asp/Pro/Pro 1.6669 0.5562 1.0570 0.4976
Asp/Pro/Val/Asn 1.4794 NA 0.3609 NA
Asp/Thr/Cys/Cys 1.1243 0.9031 0.9895 0.9124
Asp/Thr/Pro/Pro 1.2446 0.7994 1.0127 0.8618
Asp/Val/Pro/Ser 1.2797 0.7783 1.1081 0.7406
Avenanthramide 2s 0.6647 1.2575 0.7694 1.4202
Avenic acid A 1.0714 1.0172 0.9034 0.9841
bacteriochlorophyllide a 0.9241 1.3308 0.4197 1.1066
Balenine 1.3987 0.7242 1.0278 0.7164
Barbinine 0.8404 1.2293 0.9532 1.0302
benzalkonium 1.4307 0.7202 1.0989 0.6067
Benzoic acid 0.9488 1.1124 1.0092 0.9467
benzoyl cyanide NA 1.1259 0.6678 0.9543
Biotin 1.0944 1.0414 1.0038 0.8289
Biotin amide 1.0530 0.9564 1.0097 0.9633
Bis(2-ethylhexyl)phthalate 0.9121 1.0159 1.1280 0.9733
Brunfelsamidine 1.7188 0.4865 1.0255 0.5295
Butenylcarnitine 0.9938 0.9376 1.0656 1.0051
Butyric acid 0.9171 1.1937 0.9527 0.9642
Carbidopa 1.1259 1.0225 0.9327 0.8769
Carglumic acid 1.7446 0.4592 1.0449 0.5030
Caribine 1.0534 0.8663 1.0665 0.9960
Carnitine 1.0251 0.9942 0.9982 0.9742
Catalposide 1.8664 0.4898 0.8133 0.5418
CDP 1.3645 0.8630 1.0129 0.6381
Centarol 1.0197 1.0597 1.1113 0.8225
Cer(d42:2) 1.0402 1.0358 0.8813 1.0294
Cichorine 0.9847 1.0127 0.9655 1.0422
Citicoline 1.8508 0.5415 0.8391 0.4851
Citrulline 1.4237 0.8167 0.7937 0.8247
CMP-2-aminoethylphosphonate 0.7189 1.1056 1.2081 1.0610
Codeine 0.5667 1.4402 0.7787 1.3589
Cohibin A 1.7943 0.4979 0.7902 0.4854
Cohibin C 1.5614 0.6748 0.9197 0.6570
Convicine 0.9566 1.1356 0.9520 0.9702
Coproporphyrin I 1.1048 0.9148 0.8261 1.1193
Coriandrone D 0.9521 1.0061 1.1521 0.9057
Creatine 0.9826 1.0284 0.9898 1.0050
CTAB 0.9019 1.1197 1.1077 0.9034
Cyclic AMP 1.5462 0.5551 1.1173 0.5994
Cyclohex-2-enone 1.0891 1.3166 0.7707 0.7939
"cyclopropane phosphatidylethanolamine (dihexadec-9,10-cyclo-anoyl, n-C16:0 cyclo)" 1.0220 1.0632 0.9504 0.9570
Cys/Asn/Pro/Arg/Ser 1.0702 0.8765 1.1570 0.8730
Cys/Asp/Asp/Met/Arg 1.2987 0.8436 1.0219 0.7363
Cys/Asp/Glu/His/Trp 0.7675 1.1865 0.9590 1.1645
Cys/Asp/Glu/Phe/Tyr 0.8833 1.0368 0.9993 1.1195
Cys/Asp/Gly/His/Pro 1.2160 0.8624 0.9847 0.8650
Cys/Asp/His/His/Thr 0.6886 1.3084 0.9758 1.1310
Cys/Asp/Lys/Met/Asn 1.6770 0.4924 1.0914 0.5135
Cys/Asp/Met/Arg/Trp 0.9017 1.0650 1.0361 1.0300
Cys/Asp/Phe/Pro/Pro 0.9763 0.7330 1.5597 0.7389
Cys/Cys/Asp/Asp/Thr 0.6559 1.4347 0.0672 1.1057
Cys/Cys/Asp/Gly/Ser 1.2041 1.0449 0.8245 0.8585
Cys/Cys/Asp/His/His 1.1129 0.7773 1.1669 0.9052
Cys/Cys/Asp/Lys/Gln 1.1811 0.7984 1.1218 0.8384
Cys/Cys/Asp/Pro/Trp 0.7948 0.9828 1.0886 1.2023
Cys/Cys/Cys/Asp/Gly 1.2473 NA 0.0107 NA
Cys/Cys/Gly/His/Lys 1.1565 0.8064 1.1856 0.7994
Cys/Cys/His/His/Trp 1.0819 0.9105 0.9595 1.0208
Cys/Cys/Ile/Lys/Pro 1.1456 0.8926 1.0319 0.8813
Cys/Gly/Arg/Arg/Tyr 0.9144 1.1499 0.9453 1.0190
Cys/Gly/His/Asn/Arg 1.3679 0.7100 1.1382 0.6614
Cys/Gly/Pro 0.8333 1.1986 1.0152 1.0085
Cys/His/His/Lys/Tyr 1.4159 0.7165 1.0224 0.7065
Cys/His/Ile/Gln/Gln 1.1200 0.8714 1.1208 0.8478
Cys/His/Lys/Asn/Pro 1.2275 0.7499 1.1039 0.8429
Cys/His/Lys/Pro/Gln 1.0814 0.9678 1.0905 0.8331
Cys/His/Lys/Tyr/Tyr 0.7903 1.1803 1.0825 1.0167
Cys/Lys/Arg/Thr/Trp 1.2277 0.3294 0.9199 NA
Cys/Lys/Asn/Arg/Tyr 0.9427 0.9782 1.0791 1.0191
Cys/Lys/Pro/Pro 2.1834 0.3604 0.6536 0.4081
Cys/Phe/Gly/Gly 0.7655 1.3426 0.8057 1.1644
Cys/Phe/His/His/Asn 1.4555 0.4539 1.3686 0.5701
Cys/Phe/Pro/Arg/Arg 1.3735 NA 0.5020 NA
Cys/Phe/Trp/Trp/Trp 0.9581 0.7964 1.1182 1.1412
Cys/Ser/Ser/Tyr/Tyr 1.2822 0.9194 0.8485 0.8559
Cysteinyl-Hydroxyproline 0.8067 1.4345 0.7006 1.1227
Cys/Thr/Thr/Thr 1.7649 0.4376 1.0928 0.4498
Cys/Tyr 0.5950 1.7414 0.6330 1.1656
Cytidine 1.5190 0.8223 0.9668 0.5190
Cytidine monophosphate 1.4713 0.7265 0.9257 0.7194
Cytosine 1.4277 0.8372 1.0353 0.5572
dADP 1.1689 0.8290 1.2311 0.7148
dCMP 0.7482 1.1086 1.1930 1.0341
Deidaclin 0.8154 1.5179 0.7014 1.0269
Demeclocycline 0.7915 0.8927 1.3888 0.9964
Demecolcine 0.9616 1.1420 0.9634 0.9458
Demethoxyfumitremorgin C 0.9274 0.8981 1.1260 1.0728
Demethylated antipyrine 0.9844 1.3025 0.9861 0.7322
Deoxyadenosine 1.2945 0.7302 1.1104 0.7668
Deoxyadenosine monophosphate 1.7450 0.4048 1.2551 0.3467
Deoxycytidine 2.0175 0.3925 0.9103 0.3405
DG(39:0) 0.7976 0.9584 1.1655 1.1460
diamide 1.2342 0.8993 0.9724 0.8161
Dieporeticenin 1.6435 0.6162 0.8833 0.6426
Diethanolamine 0.8335 1.2365 1.0139 0.9716
Dihydrothymine 0.9783 1.1674 0.9434 0.9182
dioctylamine 1.0376 0.9498 1.0855 0.9145
DL-2-Aminooctanoic acid 0.9850 1.0125 0.9911 1.0164
dodecyltrimethylammonium 1.0337 1.0267 0.9540 0.9744
Dopa 1.0175 1.0298 0.9335 1.0134
Dopachrome 0.8651 1.0802 1.1058 0.9938
"dTDP-3,4-dioxo-2,6-dideoxy-D-glucose" 1.3116 0.8242 0.9693 0.7910
Enigmol 1.1372 0.9116 0.9608 0.9447
Epinephrine 1.4207 0.7449 0.8813 0.8128
Ergothioneine 1.1408 0.5741 1.2441 0.9940
"erythro-(2R,3R)-dihydroxybutylamide" 1.1209 0.9143 1.0452 0.8793
Erythrose 4-phosphate 0.5596 1.0429 0.7261 1.1952
Ethyl -3-hydroxybutyrate 0.9365 0.9055 1.1055 1.0736
Ethyl beta-D-glucopyranoside 1.1262 0.8969 0.8870 1.0478
Ethyl carbamate 1.9560 0.3427 1.0379 0.3447
Eucaglobulin 1.0246 0.9805 1.0250 0.9617
Fabianine 1.0087 0.9536 1.0270 1.0078
FAD 1.3647 0.8352 0.9026 0.7759
Fasoracetam 0.8114 1.3029 0.8574 1.0912
FeHM 1.0698 0.7392 1.2326 0.9351
Fenugreekine 1.2405 0.8226 1.0613 0.7954
flutolanil 0.2958 1.9507 0.4301 1.1334
Folic acid 1.0721 0.9333 0.9549 1.0157
formylaminopyrimidine 1.4898 0.7533 0.9279 0.6658
fumiquinazoline F-indoline-3^-ol 0.8971 1.0281 1.0453 1.0638
Galactose 1-phosphate 1.0625 1.0916 0.8236 1.0014
gamma-Aminobutyric acid 0.9275 1.2212 0.8974 0.9781
Gamma-Butyrolactone 0.9255 1.0868 1.0113 1.0011
gamma-Glutamylcysteine 0.7299 1.2821 0.8125 1.2656
gamma-glutamyl-isopropylamide 1.0707 0.9549 0.9949 0.9560
gamma-glutamyl-L-alaninol 1.2684 0.7271 1.0426 0.8724
gamma-Glutamylleucine 1.0358 0.9018 1.0789 0.9715
Gamma-glutamyl-L-putrescine 0.9314 1.0502 0.8850 1.1563
Gamma-Glutamyl-Se-methylselenocysteine 1.6888 0.5023 1.0466 0.5326
Gln/Gln/Gln/Gln 1.3358 NA 0.5523 NA
Gln/Gly/Pro/Pro 1.3350 NA 0.5533 NA
Gln/Leu/Thr/Gln 1.3653 0.6187 1.0299 0.8644
Gln/Trp/Pro/Tyr 1.3776 0.6574 1.1419 0.6973
Glu/Ala/Gln/Pro 1.3511 NA 0.5319 NA
Glu/Arg/Arg/Arg/Tyr 0.5697 1.4195 0.8108 1.3435
Glu/Cys/Cys 0.9369 1.0823 0.9235 1.0783
Glu/Cys/Thr 1.3372 0.7692 1.0158 0.7655
Glu/Gln 1.1603 NA 0.7863 NA
Glu/Glu/Gln/Ile 1.1876 NA 0.7498 NA
Glu/Glu/Gln/Leu 1.2647 0.8562 0.9914 0.7994
Glu/Glu/Glu/Ile/Met 1.9470 0.4452 1.0176 0.2745
Glu/Glu/Glu/Lys/Trp 1.3085 NA 0.5886 NA
Glu/Glu/Lys/Pro 1.9315 0.3495 1.1315 0.2770
Glu/Glu/Met/Ser 1.2974 NA 0.6034 NA
Glu/Glu/Phe/Phe/Arg 1.2828 NA 0.6229 NA
Glu/Glu/Pro/Pro 1.5211 0.4270 0.9104 0.5858
Glu/Gly 1.3669 0.7178 1.1371 0.5619
Glu/His 1.2762 NA 0.6317 NA
Glu/Ile/Gln/Gln 1.4054 NA 0.1891 NA
Glu/Ile/Gln/Thr 1.2337 0.8427 1.0612 0.7846
Glu/Ile/Ile/Gln/Trp 1.3036 NA 0.3928 NA
Glu/Ile/Lys/Pro/Arg 1.5781 0.3635 1.5453 0.3203
Glu/Ile/Pro/Pro 1.6529 0.4521 1.2679 0.4094
Glu/Lys 1.7036 0.5571 0.9499 0.5548
Glu/Lys/Lys/Gln/Tyr 1.2847 0.7980 1.0228 0.7996
Glu/Lys/Pro/Gln/Tyr 0.7482 1.1084 1.1084 1.1190
Glu/Met/Phe 1.5061 0.7495 0.9695 0.6062
Glu/Met/Thr 1.0964 0.9223 0.9071 1.0420
Glu/Phe/Lys/Gln/Val 1.0869 0.9194 1.1156 0.8491
Glu/Pro/Glu 2.1543 0.1943 1.0957 0.1709
Glu/Pro/Pro 1.1630 0.9715 0.8873 0.9240
Glu/Pro/Val 1.2250 0.4005 1.1109 0.3667
Glu/Ser/Thr 1.1151 0.8931 1.0760 0.8774
Glutamine 0.9177 1.1127 0.9341 1.0629
Glutathione 1.3952 0.6501 1.1122 0.7107
Glu/Trp/Trp/Cys 1.2070 1.0219 0.7258 0.9764
Glycerophosphocholine 0.7097 1.0287 1.3192 1.0391
Gly/His 0.9949 1.0124 0.9799 1.0146
Gly/Leu 2.2959 0.1552 0.9540 0.1630
Gly/Pro 1.5297 0.5423 1.2002 0.5512
Gly/Pro/Arg 1.2047 0.5081 0.8911 NA
Gly/Pro/Pro 2.1898 0.2223 0.9888 0.2024
Gly/Ser/His 1.1136 0.9230 1.0892 0.8362
Guanine 1.1579 0.5821 1.5576 0.6498
Guanosine 1.4424 0.3760 1.6986 0.3355
Guanosine diphosphate 1.2826 0.8285 1.0353 0.7594
Guanosine monophosphate 1.7374 NA 0.5234 0.2400
Heliamine 0.9930 1.0003 1.0120 0.9971
Heterophyllin 1.0372 0.7504 1.0705 1.1294
Hexaethylene glycol 0.8943 0.3503 1.7828 1.0078
hexenedioylcarnitine 1.0184 1.0743 0.9194 0.9818
Hexylamine 0.8631 1.1173 0.9400 1.1252
His/His/Asn/Trp/Trp 0.5766 1.4506 0.8402 1.2737
His/His/His/Lys/Gln 1.5301 0.4914 1.3090 0.4929
His/His/His/Lys/Tyr 1.3459 0.7930 0.9880 0.7578
His/His/Lys/Met/Val 1.3869 NA 0.4842 NA
His/Ile/Met/Arg/Thr 0.9938 1.0617 1.0011 0.9454
His/Ile/Met/Met/Thr 1.2401 NA 0.6799 NA
His/Ile/Met/Met/Trp 1.8020 0.3633 1.1898 0.3776
His/Ile/Met/Pro/Arg 1.1314 0.7845 1.2092 0.8311
His/Leu/Lys/Pro 1.3645 0.7619 1.1108 0.6413
His/Lys/Trp/Ser 1.5515 0.5909 1.1616 0.5122
His/Phe 1.6617 0.2708 0.6121 0.2463
Histidine 1.6809 0.5569 0.9076 0.6277
Histidine trimethylbetaine 0.9858 0.9893 1.0090 1.0207
His/Val/Asp 1.3454 0.7361 1.1028 0.7004
His/Val/Asp/Asp 2.3317 0.0864 1.0589 0.0791
Homoglutathione 0.9858 0.9682 1.0284 1.0223
Homo-L-arginine 1.8708 0.3752 1.1268 0.3369
hydroxyisovaleroyl carnitine 0.9850 1.0247 1.0119 0.9835
Hydroxyprolyl-Proline 1.4646 0.7017 0.9955 0.6833
Hypoxanthine 0.9666 0.9934 1.0280 1.0231
Ile/Ala 2.4027 0.0757 0.9559 0.0982
Ile/Ala/Gly 1.3107 0.6261 0.7974 0.7390
Ile/Arg 1.6789 0.5605 0.9444 0.5899
Ile/Asn 2.3184 0.1936 0.8465 0.2020
Ile/Cys/Phe 0.7292 1.1868 0.9927 1.1815
Ile/Cys/Tyr 0.6558 1.3567 0.8928 1.2095
Ile/Gly/His 1.2797 0.7420 1.0881 0.7971
Ile/Gly/Met 1.5259 0.4599 0.3329 0.7708
Ile/Gly/Phe 1.2547 0.7251 1.0676 0.8676
Ile/Gly/Pro 1.5947 0.5689 1.0822 0.5560
Ile/Gly/Val 1.5882 0.2271 0.9436 0.3624
Ile/His/Ser 1.5091 0.7290 0.8934 0.6988
Ile/His/Val 1.3413 0.6792 1.1907 0.6750
Ile/Lys 1.6212 0.6344 0.9351 0.6022
Ile/Lys/Met/Met/Tyr 1.2439 0.8706 1.1321 0.8347
Ile/Lys/Pro 1.0213 0.9548 1.0830 0.9339
Ile/Lys/Ser 1.0752 0.9763 0.9362 0.9872
Ile/Met/Ser/Thr/Tyr 1.2951 NA 0.6065 NA
Ile/Met/Ser/Tyr 2.1960 0.1381 1.1550 0.1122
Ile/Met/Thr/Ser 1.5111 0.7211 1.0182 0.5793
Ile/Phe/Thr/Pro 1.3229 NA 0.5694 NA
Ile/Pro 0.9615 1.0143 0.9979 1.0391
Ile/Pro/Pro 1.8174 0.4908 0.7548 0.5828
Ile/Pro/Ser 1.4764 NA 0.3648 NA
Ile/Ser/Val 1.4090 0.6984 0.9800 0.7763
Ile/Thr 1.8499 0.4480 0.9787 0.4402
Imidazoleacetic acid 1.0614 0.9004 1.1554 0.8624
Iminoglycine 1.4659 0.6540 1.0086 0.7163
Indenestrol A 0.9429 1.0786 0.9566 1.0409
indole-3-acetonitrile oxide 0.6491 1.8829 0.7190 0.8660
Inosyl-L-homocysteine 1.1221 0.9480 1.0050 0.8842
Isoleucine 1.0613 1.0753 1.0413 0.8017
Isonicotineamide 1.2309 0.8279 1.0725 0.7917
Isopentyl beta-D-glucoside 0.9922 0.8225 0.8277 1.3603
Isosophoranone 1.0752 1.0033 1.0011 0.8953
Jasminine 1.0585 0.8874 0.9901 1.0445
Kanzonol V 1.0950 1.0058 1.0712 0.7964
Labienoxime 1.0102 0.9734 1.0012 1.0118
Lenticin 1.0269 0.9573 1.0323 0.9746
Leu/Ala 1.0098 0.9944 1.0110 0.9815
Leu/Asn/Gly 1.8385 0.3808 1.1769 0.3243
Leu/Asp 1.4934 0.6594 1.0206 0.6620
Leucine 0.7983 1.2358 1.0397 0.9935
Leu/Gly/His 1.4656 0.6255 1.0725 0.6812
Leu/Gly/Pro 1.6469 0.3031 1.2241 0.4153
Leu/His 2.4201 0.0888 0.9037 0.1140
Leu/Leu/Pro/Ser 2.4090 0.0593 1.0040 0.0580
Leu/Met/Thr/Ser 1.6970 0.4054 1.0963 0.5689
Leu/Pro 1.9571 0.3485 1.1374 0.2380
Leu/Pro/Ser 1.7948 0.4539 0.8680 0.4276
Leu/Ser 1.3866 0.7797 0.9616 0.7433
Leu/Ser/Tyr 1.6214 0.5702 1.0430 0.5583
Licoricone 1.3244 0.8104 1.0411 0.7160
Linamarin 0.9817 1.0294 1.1042 0.8909
"L,L-Cyclo(leucylprolyl)" 1.0596 0.9203 1.1887 0.8116
Lotaustralin 1.0182 0.9919 1.0081 0.9757
LPC 0.9494 0.9970 1.1802 0.8902
Lupinate 0.9564 1.0016 0.9915 1.0650
Lycoflexine 1.0107 1.0094 0.9883 0.9881
Lys/Asn 1.1657 0.7089 1.0744 0.8480
Lys/Asp/Pro 1.1218 NA 0.8376 NA
Lys/Gly 1.3221 NA 0.5705 NA
Lys/Gly/His 1.2113 NA 0.7182 NA
Lys/His 2.2441 0.2413 0.8552 0.2448
Lysine 1.9927 0.3588 0.9731 0.3445
"Lysine 1,6-lactam" 0.9805 0.9694 1.0035 1.0531
Lys/Met/Met/Val/Tyr 1.5455 0.7091 0.8624 0.7012
LysoPC(14:0) 1.3027 0.8029 1.0504 0.7432
LysoPC(16:0) 0.8771 1.0580 0.9982 1.1077
LysoPC(18:0) 0.6675 1.2574 0.8813 1.3046
LysoPC(18:1) 0.9794 1.0905 0.9722 0.9646
LysoPC(18:2) 1.0670 0.9805 0.9523 0.9778
LysoPC(P-16:0) 0.7629 1.1180 1.0300 1.1681
LysoPE(14:0) 0.9760 0.9921 1.1859 0.8460
LysoPE(16:0) 0.8656 0.9636 1.2166 0.9990
LysoPE(18:0) 1.0248 0.9652 1.0887 0.9131
LysoPE(18:1) 0.9089 1.0151 1.0873 1.0190
LysoPE(O-18:0) 1.0335 0.8607 1.1257 0.9688
LysoPI(13:0) 2.2111 0.2452 0.9753 0.1646
LysoPS(18:2) NA 1.0609 0.8792 1.0599
Lys/Phe 0.8507 1.1768 1.0713 0.9510
Lys/Pro 2.3203 0.1157 1.0282 0.0957
Lys/Pro/Pro 1.8103 0.4461 1.0393 0.4342
Lys/Ser 1.4273 0.7701 0.9732 0.6870
Lys/Thr/Ser/Tyr 1.1813 0.8302 1.1049 0.8232
Lys/Trp/Val/Gly 1.1202 NA 0.5192 NA
Lys/Tyr 1.6149 0.5487 1.0965 0.5349
Lys/Val/Pro 1.1670 0.8604 0.9821 0.9348
magnesium-protoporphyrin IX 13-monomethyl ester 1.2133 0.6700 1.1957 0.8500
Majusculoic acid 1.3230 0.8141 0.8932 0.8620
manumycin B 1.6556 0.5265 1.1295 0.4698
Mayolene-20 1.6399 0.8045 0.6970 0.6453
Mercaptoethanol 2.0403 0.5311 0.5076 0.5743
Mesuol 0.8654 1.1335 0.9495 1.0965
Met/Ala/Gly 1.0914 0.9216 1.0161 0.9404
Methionine 0.7221 1.3869 0.9094 1.0742
Methionine sulfoxide 0.9802 0.9911 1.0213 1.0140
Methocarbamol 1.1620 0.5028 1.2935 0.9877
Methyl 2-diazoacetamidohexonate 1.1112 0.7784 1.1306 0.9428
Met/Met/Met/Pro 1.3321 NA 0.3358 NA
Met/Met/Thr 1.4446 0.3525 0.6230 NA
Met/Phe/Asp 1.2214 0.7323 1.1449 0.8277
Met/Ser 0.3852 1.5291 0.7318 1.5589
Met/Thr/Asp 1.0235 0.9249 1.0308 1.0130
Met/Thr/Thr/Thr/Thr 1.2418 0.7162 1.2024 0.7589
Mimosine 2.0694 0.2622 0.9702 0.3417
Montecristin 1.4383 0.7246 0.9505 0.7406
Muramic acid 1.0667 1.0587 0.8596 0.9928
mycaminose 1.0425 1.0623 0.9324 0.9487
Myxochelin A 1.2333 0.9113 0.9586 0.8190
N-(1-Deoxy-1-fructosyl)leucine 1.1279 0.9472 0.9755 0.9068
N-(1-Deoxy-1-fructosyl)proline 1.1057 0.9172 0.9576 0.9843
N-(3-oxooctanoyl)-L-homoserine 1.0588 0.9402 0.9799 1.0016
N4-Acetylaminobutanal 1.1102 1.0287 1.0289 0.7954
N6-Acetyl-L-lysine 1.3449 0.8357 0.9952 0.7092
N6-Acetyl-N6-hydroxy-L-lysine 0.9910 1.0362 0.9673 1.0086
N(6)-Methyllysine 1.2749 0.6921 1.2378 0.7035
"N6,N6,N6-Trimethyl-L-lysine" 1.2453 0.8023 1.0294 0.8412
N-a-Acetyl-L-arginine 1.2849 0.8119 0.9870 0.8213
"N-Acetyl-2,3-dihydro-1H-pyrrole" 1.0022 0.9743 1.1224 0.9003
N-Acetyl-D-fucosamine 0.9436 1.0245 0.9462 1.1045
N-Acetylhistidine 0.9159 1.0375 1.0606 1.0140
N-Acetylisatin NA 1.1614 0.5266 0.9894
N-acetyl-L-2-aminoadipate(2-) 1.0429 0.9523 0.9738 1.0167
N-Acetyllactosamine 1.0484 0.9173 1.0467 0.9715
N-Acetylmannosamine 1.0939 0.9482 1.0432 0.8834
N-acetyl-O-acetylneuraminate 0.7568 1.0491 1.2450 1.0302
N-Acetylputrescine 0.9978 0.9731 1.0035 1.0264
Nalpha-(3-hydroxy-3-methylhexanoyl)-L-glutamine 1.3488 0.8219 1.0520 0.6610
Nalpha-[-3-methylhex-2-enoyl]-L-glutamine 0.9229 0.9896 1.0496 1.0636
Nalpha-Methylhistidine 1.3731 0.7944 1.0395 0.6686
N(alpha)-t-Butoxycarbonyl-L-leucine 1.0715 0.9362 0.9893 0.9791
N-Desalkyl flurazepam 1.3387 0.7130 1.1905 0.6449
N-D-Glucosylarylamine 1.2177 0.7802 0.9941 0.9354
N-(docosanoyl)-pentadecasphing-4-enine-1-phosphoethanolamine 0.8361 1.0113 1.1921 1.0151
N-(docosanoyl)-pentadecasphingadienine-1-phosphoethanolamine 0.8764 1.0253 1.0331 1.1065
Nebrosteroid M 0.8178 1.1502 1.0879 1.0048
N-(eicosanoyl)-hexadecasphing-4-enine-1-phosphoethanolamine 0.9278 1.0217 1.0124 1.0622
"Ne,Ne dimethyllysine" 1.6533 0.4950 1.1530 0.4810
Neotussilagine 0.9879 0.9779 1.0275 1.0107
N-(hexacosenoyl)-sphinganine-1-phosphocholine 1.1881 0.9640 0.8604 0.9249
N-Hexadecanoylpyrrolidine 0.8346 1.1094 0.9548 1.1564
N-hydroxy-L-dihomomethionine 1.0341 1.0057 0.9972 0.9516
Niacinamide 0.8365 1.1388 1.0283 1.0509
Nicotinamide hypoxanthine dinucleotide 1.1976 0.8330 1.1007 0.8028
Nicotinic acid 0.7928 0.9527 1.4484 0.8752
N-Methylalanine 0.9450 1.0430 0.9982 1.0321
N-(tricosanoyl)-hexadecasphing-4-enine-1-phosphoethanolamine 0.9673 1.1518 0.9445 0.9473
nva-FMDP 0.8853 1.0205 1.1443 0.9881
O-(17-carboxyheptadecanoyl)carnitine 0.8807 1.1059 1.1183 0.9349
Octylamine 0.9896 0.9942 1.0206 0.9990
Oleoylcarnitine 0.8646 1.0458 0.9575 1.1772
O-methylandrocymbine 1.8165 0.3844 1.0901 0.4368
O-Phosphoethanolamine 1.3848 0.7911 0.9254 0.7704
Ophthalmic acid 1.1060 0.9548 0.9532 0.9506
O-Succinylhomoserine 1.6997 0.5604 0.9937 0.5129
Otonecine 1.0127 1.0431 0.9818 0.9581
Oxidized glutathione 1.1349 1.1935 0.7516 0.8751
Palmitoylcarnitine 0.7288 1.2256 0.9943 1.1417
Pantothenic acid 1.4865 0.7199 0.9095 0.7218
PA-PI 0.6458 0.9502 1.1570 1.3650
PC(13:0) 0.6983 1.1420 1.1574 1.1027
PC(14:1) 0.9167 1.0158 1.0855 1.0099
PC(14:2) 1.0292 0.8371 1.1833 0.9407
PC(15:1) 1.0957 0.9406 1.0202 0.9115
PC(29:1) 1.2450 0.8793 0.9374 0.8567
PC(30:0) 1.0957 0.9983 1.0148 0.8593
PC(31:2) 1.0550 1.1016 0.8626 0.9625
PC(32:0) 1.1170 0.9943 0.9032 0.9466
PC(32:1) 1.3609 0.7601 0.9095 0.8492
PC(32:2) 1.4261 0.7385 1.1056 0.5878
PC(32:3) 1.3675 0.7387 1.1511 0.6201
PC(33:1) 1.2838 1.0341 1.1947 0.3927
PC(33:3) 1.2370 1.2592 0.5618 0.8630
PC(33:4) 0.8773 1.1428 0.9926 1.0282
PC(33:5) 1.0078 1.1995 1.0358 0.7543
PC(34:1) 1.2825 1.1573 1.1841 0.2820
PC(34:2) 1.1258 0.9452 0.9990 0.8881
PC(35:1) 1.2026 0.9248 0.9365 0.8685
PC(35:2) 1.2557 0.8595 0.9812 0.8183
PC(35:4) 1.0873 0.8958 0.9699 1.0179
PC(35:5) 1.0027 1.0415 0.9414 1.0135
PC(36:1) 1.0067 1.0321 0.9311 1.0279
PC(36:2) 1.0503 1.0084 0.9592 0.9653
PC(36:4) 0.9625 1.1000 1.0079 0.9421
PC(36:5) 1.1311 0.9410 1.0298 0.8544
PC(38:3) 0.9964 1.0574 0.9284 1.0190
PC(38:4) 0.9955 1.0633 0.9394 1.0033
PC(38:5) 1.1009 1.0638 0.9568 0.8450
PC(38:6) 1.1375 0.9639 1.0074 0.8453
PC(40:5) 0.9981 1.0665 0.9081 1.0279
PC(40:6) 1.0233 1.0264 0.9642 0.9784
PC(40:7) 0.9786 1.1840 1.1531 0.6915
PC(O-16:0) 0.7848 1.1410 0.9660 1.1800
PC(P-32:0) 0.9048 1.1195 0.9104 1.0969
PC(P-34:1) 0.8748 1.0417 1.0086 1.1166
PC(P-36:1) 0.8857 1.0278 1.0124 1.1123
PC(P-36:2) 0.7740 1.1131 1.0171 1.1712
PE(19:0) 1.1102 0.9773 0.8959 0.9798
PE(32:1) 1.1777 0.9337 0.9952 0.8342
PE(33:0) 1.1347 0.9077 1.1699 0.7428
PE(33:1) 1.4937 0.6940 0.9642 0.6836
PE(34:0) 1.1149 1.0095 0.9001 0.9371
PE(34:1) 1.0434 1.0144 0.9299 0.9979
PE(34:2) 0.9657 0.9444 1.0005 1.1008
PE(35:0) 1.0082 1.0444 0.9201 1.0246
PE(35:1) 1.4382 0.7809 1.0310 0.6038
PE(36:1) 1.3214 0.8585 0.9422 0.7708
PE(36:2) 1.1547 0.9369 0.9485 0.9084
PE(36:4) 0.9361 1.1035 0.9744 1.0073
PE(37:2) 1.1876 0.9988 0.8425 0.9085
PE(37:3) 1.3532 0.5805 1.1671 0.7815
PE(38:1) 1.1067 0.9492 0.9741 0.9344
PE(38:2) 1.1640 0.9110 0.9965 0.8739
PE(38:4) 1.1322 0.8885 0.9307 1.0046
PE(38:5) 0.9202 1.3653 1.1673 0.5739
PE(39:1) 1.1696 1.1168 0.7296 0.9275
PE(39:4) 1.1050 0.9752 1.0045 0.8803
PE(41:1) 0.9468 1.0518 0.9781 1.0410
PE(41:2) 0.9351 1.1175 0.9237 1.0453
PE(41:4) 0.8566 1.1879 0.9784 1.0249
PE(41:5) 0.8869 1.0925 1.0472 1.0110
PE(41:6) 1.0823 0.9407 1.0320 0.9175
PE(42:5) 1.0910 0.9105 1.0029 0.9653
penem CGP31608 1.1320 1.1044 0.8543 0.8653
pentaethylene glycol 0.9536 0.8421 0.8638 1.3559
pentetate 1.4215 0.6167 1.1179 0.7033
PE(O-38:5) 0.9214 1.0800 0.8737 1.1511
PE(P-20:0) 0.8685 0.9786 1.1315 1.0652
PE(P-36:1) 0.9290 1.0449 0.9727 1.0772
PE(P-38:4) 0.8763 1.0607 0.8711 1.2330
PE(P-40:4) 1.0048 1.0148 0.8775 1.1013
PE(P-40:5) 0.9604 1.0913 0.9012 1.0602
Phe/Ala 1.8789 0.4506 0.9662 0.4114
Phe/Asn 2.1982 0.1752 1.0202 0.2070
Phe/Gly 2.3674 0.1053 0.9519 0.1197
Phe/Gly/Arg/Arg/Trp 1.4039 0.5422 0.7346 0.6385
Phe/Gly/His 1.9147 0.2472 1.0018 0.2804
Phe/Gly/His/Lys/Arg 1.2157 0.7539 1.1638 0.7947
Phe/Lys/Arg/Thr/Tyr 0.5343 1.3801 0.9058 1.3351
Phenylalanine 1.2626 0.9093 1.0973 0.6433
Phenylethylmalonamide 1.5804 0.5733 1.0616 0.5912
phenyl sulfoxide 0.8295 1.0614 1.0829 1.0830
Phe/Pro/His 1.8798 0.3875 1.0063 0.4331
Phe/Thr 1.7057 0.4746 1.1016 0.4829
Phe/Thr/Pro 1.8025 0.1440 0.5076 0.1233
Phe/Thr/Thr/Tyr 0.9684 0.9787 1.0581 1.0055
PHODiA-PG 1.5358 0.5486 1.2380 0.4990
Phosphinothricin 1.1527 0.8393 1.0775 0.8795
Phosphonoacetaldehyde 0.9394 0.9816 1.1127 0.9865
Pipecolic acid 2.1005 0.3541 0.9291 0.2495
Pipericine 0.8088 1.1387 1.0341 1.0822
Piperidine 2.1093 0.2835 0.9814 0.2561
piperidine-3-carboxylate 1.2579 0.8195 1.0388 0.7979
platensimycin 2.4186 0.1173 0.8845 0.1066
Polyoxyethylene dioleate 1.7183 0.7079 0.7932 0.5412
POV-PG 1.2735 0.8114 0.9333 0.8907
Pro/Ala/Asp 2.2233 0.1176 0.8381 0.1198
Pro/Ala/Glu 1.8566 0.1078 0.7540 0.0957
Pro/Ala/Glu/Phe 1.9664 0.4174 0.9152 0.3789
Pro/Ala/Pro 1.1239 0.9136 1.0703 0.8508
Pro/Asn 2.1000 0.1745 1.1973 0.1615
Pro/Asn/Ala 1.6077 0.3130 1.1367 0.2665
Pro/Asp 2.3013 0.1328 1.0136 0.1186
Procaterol 1.0583 0.9586 1.0369 0.9267
Pro/Glu 2.1902 0.1731 1.0721 0.1678
Pro/Glu/Asn 1.2514 NA 0.6649 NA
Pro/Glu/Asn/Phe 1.2120 NA 0.7174 NA
Pro/Gly/Ala 1.4337 0.6825 1.0967 0.6425
Pro/Gly/Gly/Pro 1.3628 0.6847 1.1472 0.6844
Pro/His 2.2091 0.1648 1.0838 0.1393
Proline 1.3476 0.8397 1.0336 0.6632
Pro/Pro/Pro 1.6566 0.5603 1.0517 0.5124
Pro/Pro/Ser 1.9336 0.3107 1.1627 0.2818
Pro/Pro/Val/Gln 2.6145 0.0288 0.7880 0.0305
Pro/Ser 1.6038 0.5402 1.1310 0.5237
Pro/Thr 2.1646 0.1213 1.2162 0.1096
Pro/Trp 2.4082 0.0752 0.9729 0.0743
Pro/Trp/Thr 2.4980 0.0782 0.8606 0.0638
Pro/Tyr 1.9656 0.3601 0.9771 0.3753
Pro/Val/Asn 2.4105 0.1229 0.8610 0.1355
Pro/Val/Asn/Phe 2.3074 0.0463 1.1609 0.0496
Pro/Val/Gln/Ala 1.8645 0.3903 1.0637 0.3933
PS(36:0) 1.4420 0.7947 1.0195 0.5965
PS(36:1) 1.2141 0.9574 0.8917 0.8653
PS(38:4) 0.8999 1.1991 0.8895 1.0448
Pseudoconhydrine 1.1110 0.8983 1.1250 0.8287
Pyrene 0.9625 0.9540 1.1373 0.9587
Pyridoxal 0.7739 1.1546 1.0017 1.1452
Pyridoxine 1.0466 0.9314 1.1033 0.9032
Pyridoxine 5^-phosphate 1.4918 0.6907 1.0443 0.6093
Quinaldic acid 0.5825 1.9116 0.6803 0.9648
quinocarcin 1.7175 0.4307 1.2395 0.3732
quinoline-4-carboxylate 0.6033 2.0454 0.5985 0.8850
Riboflavin 0.9026 1.1169 0.8362 1.1767
Roxatidine acetate 1.0300 0.9051 1.0573 0.9976
Sarcodon scabrosus Depsipeptide 1.0575 1.1184 0.9784 0.8266
Se-Adenosylselenohomocysteine NA 1.2323 0.3377 0.9885
Senecionine 1.5589 0.6936 0.8691 0.6921
Ser/His 1.6600 0.5021 1.0909 0.5269
Serine 1.0915 0.9993 0.9410 0.9377
Sesaminol glucosyl-(1->2)-[glucosyl-(1->6)]-glucoside 0.5073 1.3406 0.8729 1.4434
Slaframine 1.0051 0.9942 0.9982 1.0007
SM(d32:1) 0.9162 1.0583 1.0011 1.0523
SM(d36:1) 0.9687 1.1620 0.9182 0.9615
SM(d36:2) 0.8934 1.1244 0.9337 1.0840
SM(d40:1) 1.0433 1.0649 0.8473 1.0301
SM(d40:2) 0.9288 1.1240 0.9149 1.0560
SM(d41:1) 1.0524 1.1036 0.8393 0.9872
SM(d42:1) 1.1053 1.0688 0.8295 0.9614
SM(d42:2) 0.9777 1.0868 0.8770 1.0659
SM(d44:2) 1.0654 0.9792 0.9028 1.0308
sn-glycero-3-Phosphoethanolamine 0.8537 0.9627 1.1849 1.0474
Sphinganine 1-phosphate 1.1292 0.8929 0.9215 1.0133
Stearoylcarnitine 0.8620 1.1033 1.0818 0.9988
Swainsonine 0.9544 1.0531 1.0197 0.9881
Tenuazonic acid 1.0367 0.8838 1.0168 1.0504
Termitomycesphin A 1.2957 0.8765 0.9271 0.8021
Tetradecene 1.0116 1.2239 0.9487 0.8119
Tetraethylammonium 0.9884 1.0635 0.9697 0.9822
Tetraethylene glycol 0.9065 1.1687 1.0012 0.9548
TG(50:3) 1.6907 0.5376 0.8419 0.6996
TG(54:5) 1.2513 0.8399 0.8846 0.9404
TG(54:6) 1.2816 0.8187 0.9136 0.8922
TG(56:8) 1.1429 0.9088 0.9301 0.9706
Thiamine monophosphate 1.7089 0.4852 1.0933 0.4764
Thiamine pyrophosphate 1.8173 0.5004 0.9016 0.5082
thiazolidine-4-carboxylate 0.7819 1.1668 0.9216 1.2024
Thiomorpholine 3-carboxylate 1.1641 0.8309 1.2503 0.6999
Thr/Ala 1.0194 0.9363 1.1125 0.9253
Thr/Ala/Ser 1.2370 0.8084 1.0372 0.8384
Thr/Cys 0.9119 1.1970 0.9361 0.9844
"threo-2-Amino-3,4-dihydroxybutanoic acid" 1.3131 0.8404 0.9513 0.7908
Threonine 1.2268 0.8578 0.9593 0.8805
Thr/Gln 1.7365 0.5098 1.0121 0.4962
Thr/Gly 1.8036 0.3988 1.1541 0.3756
Thr/His 1.6393 0.6060 1.0632 0.4784
Thr/Lys 2.0598 0.3916 0.8455 0.3499
Thr/Pro/Glu/Glu 1.4739 NA 0.3682 NA
Thr/Pro/Pro 1.4865 0.6865 1.0649 0.6000
Thr/Pro/Thr 2.2525 0.0886 1.1457 0.0958
Thr/Thr/Thr 1.9513 0.3657 1.0011 0.3648
Thr/Thr/Thr/Thr 1.6825 0.4271 1.2051 0.4577
Thr/Trp/Cys 1.0686 0.8223 1.1928 0.8934
Thr/Val 2.0449 0.4032 0.7831 0.4205
tridecadienoic acid 0.9532 0.6607 1.3487 1.0531
Triethanolamine 0.8464 1.1051 1.0421 1.0576
triethylene glycol 0.7911 1.1469 1.0619 1.0698
Tritoqualine 0.9998 1.0874 0.8582 1.0547
Trp/Cys/Gly 0.8826 1.1214 0.8971 1.1380
Trp/Gln 1.2777 0.7694 1.1508 0.7096
Trp/Gly 1.3765 NA 0.4980 NA
Trp/Gly/Ser 1.2055 0.8904 1.0230 0.8126
Trp/Val 1.4196 0.6709 1.2283 0.5413
Tryptophan 1.2798 0.7630 1.2027 0.6613
Tyr/His 2.0919 0.0950 0.7436 0.1022
Tyr/Tyr 1.3638 0.6260 1.2792 0.6098
Uridine 5^-diphosphate 1.0339 1.0558 0.9524 0.9467
Val/Ala 1.1256 1.0184 0.9777 0.8364
Val/Arg 1.4000 0.6901 1.0018 0.7748
Val/Asp 1.4896 0.7219 0.8726 0.7526
Val/Asp/Asp 1.2246 NA 0.7005 NA
Val/Glu 1.4688 0.6633 1.0345 0.6772
Val/Gly 2.1191 0.2785 0.9741 0.2553
Val/Gly/Ala 1.4191 0.6942 1.0237 0.7233
Val/Gly/His 0.9743 0.6755 1.2545 1.1043
Val/Gly/Pro 2.0593 0.2139 1.1783 0.1953
Val/His 1.9576 0.4822 0.8022 0.4388
Valine 0.9998 0.9332 1.0415 1.0256
Val/Leu 1.7158 0.4541 1.1441 0.4474
Val/Leu/Gly/Ala 1.2987 NA 0.6017 NA
Val/Lys 2.3264 0.1218 1.0001 0.1094
Val/Pro 2.4104 0.3307 0.5225 0.2662
Val/Pro/His 1.2004 NA 0.7327 NA
Val/Pro/Pro 2.5546 0.1169 0.6943 0.1160
Val/Ser/Ser 1.1837 0.8948 1.0271 0.8332
Val/Val 2.3081 0.1832 0.8933 0.1793
Val/Val/Tyr/Pro 1.8719 0.4145 1.0254 0.3976
VIM-II(d42:1) 0.5036 1.5103 0.8147 1.3368
Vindoline 1.9740 0.2714 0.8791 0.3263
"xi-4,5-Dihydro-2,4(5)-dimethyl-1H-imidazole" 1.6319 0.5725 1.0230 0.5620
Run Hierarchial cluster analysis on this study | Run Heatmap cluster analysis on this study

Factors:

F1Sample source:Plasmodium cells | Treatment:DMSO
F2Sample source:Plasmodium cells | Treatment:KAE609_20x_IC50
F3Sample source:Plasmodium cells | Treatment:KAE609_5x_IC50
F4Sample source:Plasmodium cells | Treatment:WJM992
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