Data for (Study ST003565)

(Analysis AN005857)

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 1.1679 0.8477 1.4419 0.4865
"1,2,3-Tris(1-ethoxyethoxy)propane" 1.0319 0.9368 1.0343 0.9863
"1,2-Dihydroxy-3-keto-5-methylthiopentene" 1.4506 0.6005 1.1412 0.6575
1(2H)-Isoquinolinone 1.2027 0.8616 1.2018 0.6663
"(1,3-diphenylpropoxy)sulfonic acid" 1.0793 0.9915 0.9065 0.9962
1-5-diazabicyclononane 0.7359 1.2650 1.0107 1.0765
15(R)-hydroperoxy-EPE 1.0003 1.0185 0.9858 0.9954
"16-bromo-hexadecadien-5,13-diynoic acid" 1.4474 0.7294 1.0135 0.6606
16-dimethylarsinoyl-hexadecenoic acid 1.2809 0.7814 1.1468 0.6973
17-AAG 0.8764 1.1614 1.0332 0.9702
1-Caffeoyl-4-deoxyquinic acid 1.3203 0.8241 0.9577 0.7912
1-dimethylarsinoyl-decane 1.4901 0.4965 1.0019 0.8482
1-(hexadecanoyl)-2-(8-[3]-ladderane-octanyl)-sn-glycerol 1.4666 0.7348 0.9710 0.6720
1H-Indole-3-acetamide 0.5510 1.4641 0.4670 1.6676
1-Methylhistidine 1.2700 0.7681 1.0402 0.8317
1-O-alpha-D-glucopyranosyl-(2-tetradecanoyloxy)-eicosane 0.8698 1.0210 0.9258 1.2268
1-octyl-2-octyl-sn-glycero-3-phosphocholine 0.9557 0.9777 1.0284 1.0529
1-Pyrroline-5-carboxylic acid 0.9770 1.0340 0.9969 0.9997
20-hydroxy-prefusarin 1.3345 0.6624 1.2245 0.6670
2-{[1-(R)-Carboxyethyl]amino}pentanoate 1.0417 0.9739 0.9004 1.0700
"2,3-Butanediol glucoside" 1.2613 1.3051 0.5816 0.5996
"2-{[(4-methoxybenzyl)(methyl)amino]methyl}-2-methylpropane-1,3-diol" 1.2281 0.8436 1.0808 0.7715
2-acetamidoglucal 0.9523 1.0367 0.9403 1.0867
"2-Acetyl-1,5,6,7-tetrahydro-6-hydroxy-7-(hydroxymethyl)-4H-azepine-4-one" 1.0653 0.9255 0.9474 1.0400
2-acetyl-1-alkyl-sn-glycero-3-phosphocholine 0.6524 1.2875 0.9436 1.2323
2-Amino-3-(1-pyrazolyl)propanoic acid 1.6223 0.6205 0.9429 0.6068
2-Amino-4-[(2-hydroxy-1-oxopropyl)amino]butanoic acid 2.0783 0.3561 0.8879 0.3182
"2-Amino-9,10-epoxy-8-oxodecanoic acid" 0.9875 1.0986 0.9945 0.9235
2-Aminoheptanoate 1.0070 0.9997 1.0163 0.9747
2-{[hydroxy(5-hydroxy-1H-indol-3-yl)methylidene]amino}acetic acid 1.4038 0.7657 0.8653 0.8306
2-Hydroxycaproic acid 0.9671 0.8869 1.2063 0.9507
2-Keto-6-acetamidocaproate 1.0474 0.8609 1.1095 0.9663
2-methyladenine ribotide phosphate 1.5340 0.6216 1.0368 0.6296
2-Methylbutyroylcarnitine 1.1287 1.0170 0.9762 0.8352
2-methylphosphinoyl-2-hydroxyacetate 0.9565 0.9646 1.0856 1.0079
"2-N,6-N-Bis(2,3-dihydroxy-N-benzoyl)-L-serine" 1.0031 1.0536 0.9780 0.9643
2-nitro-1-propanol 1.7166 0.6056 0.9384 0.5006
2-Nitropropane 1.1136 0.9362 0.9395 0.9729
2-(N-Methyl-perfluorooctane sulfanamido) acetic acid 1.6100 0.7246 0.4693 0.7241
2-Nonenoic acid 1.0003 0.9865 1.0073 1.0058
2-O-methyl cyclic 3-deoxy-D-arabino-heptulosonate 7-phosphate 1.1158 0.8406 0.9190 1.0175
2-Oxoarginine 1.3285 0.7637 0.9535 0.8448
2-Pyrrolidinone 0.9101 1.1979 0.8581 1.0639
"(2R*,3R*)-1,2,3-Butanetriol" 1.0300 1.0169 0.9688 0.9742
"(2R,4S)-2,4-Diaminopentanoate" 1.0305 0.9928 1.0049 0.9617
"3-(3,4-Dihydroxyphenyl)lactic acid" 1.2030 0.8518 0.9754 0.9021
"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" 1.2554 0.6683 1.1436 0.8477
"3^,4^,5^-Trimethoxycinnamyl alcohol acetate" 0.4915 1.1936 0.7237 1.7606
"3,4-dichloro-tridecanoic acid" 1.5518 0.6500 1.1263 0.4880
"3,4-dihydroxybenzoate-spermidine" 0.9379 1.0327 1.0997 0.9504
"3,4-Dihydroxymandelic acid" 0.7291 1.2787 0.5149 1.3157
3^-amino-3^-deoxyadenosine 1.2708 0.5970 1.4914 0.5505
(3-Arylcarbonyl)-alanine 1.2426 0.8739 1.1477 0.6549
3-Cyanomethyl-3-hydroxy-1H-indol-2(3H)-one 0.4491 1.5253 0.6294 1.3962
3-(Cystein-S-yl)acetaminophen 1.4281 0.5918 1.3124 0.5250
3-Deoxyvitamin D3 0.8718 1.1001 0.8635 1.2072
3-Indoleacetaldoxime 0.6181 1.3974 0.5552 1.5566
3-Methyleneoxindole 0.5459 1.5583 0.6095 1.4377
3-nitro-2-butanol 1.8621 0.3895 1.0395 0.4215
3-nitro-2-pentanol 1.2436 0.5909 1.4697 0.6146
3-O-alpha-L-Arabinopyranosylproanthocyanidin A5^ 1.1437 0.9368 1.0362 0.8355
3-tert-Butyl-5-methylcatechol 0.9793 0.8734 1.6287 0.5255
4-Acetamido-2-aminobutanoic acid 1.7200 0.5400 0.9828 0.5171
4-Guanidinobutanamide 1.2094 0.9249 0.9819 0.8140
4-Guanidinobutanoic acid 1.2071 0.8201 1.0611 0.8426
4-Hydroxybutyric acid 0.9640 0.9565 1.0287 1.0460
4-Hydroxyglucobrassicin 0.5364 1.4831 0.6838 1.4512
4-Methylaminobutyrate 1.0043 0.9881 1.0293 0.9769
4-Pyridoxolactone 1.0542 1.1036 0.9227 0.9014
4-(Trimethylammonio)but-2-enoate 1.0049 1.0506 0.9137 1.0292
5-Amino-3-oxohexanoate 1.0137 0.9959 0.9571 1.0287
5-Aminopentanoic acid 1.2004 0.8664 1.0755 0.7909
5^-Dehydroadenosine 1.4433 0.6653 1.0115 0.7321
5^-deoxyuridine 1.2483 0.7834 1.0206 0.8650
5-Hydroxy-N-formylkynurenine 1.0916 0.8738 1.1215 0.8825
5^-methoxy-6^-chloroarmillane 0.7222 1.0609 1.2271 1.0825
5-Methoxytryptophan 1.6536 0.5553 1.0561 0.5171
5^-Methylthioadenosine 1.2994 0.6373 1.3181 0.6454
5^-methylthioformycin 1.1546 0.7279 1.1255 0.9404
5-Nitro-2-(3-phenylpropylamino)benzoic acid 1.1173 0.9201 0.9748 0.9487
5-Valerolactone 0.9632 1.1300 0.8869 1.0199
"6-(2-Carboxyethyl)-7-hydroxy-2,2-dimethyl-4-chromanone glucoside" 0.8043 1.0733 1.2199 0.9678
"{[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" 1.0986 0.8146 1.1538 0.9002
"6-[5-(2-{[2-(3,4-dimethoxyphenyl)ethyl]-C-hydroxycarbonimidoyl}ethyl)-2-methoxyphenoxy]-3,4,5-trihydroxyoxane-2-carboxylic acid" 1.3301 0.7489 1.0350 0.7760
"6,7-Dimethyl-8-(1-D-ribityl)lumazine" 1.3096 0.7272 1.1325 0.7275
6-Acetamido-3-aminohexanoate 1.1757 0.6184 1.0846 1.0628
6-allyl-8b-Carboxy-ergoline 0.9479 1.1982 0.8350 1.0362
6-Amino-9H-purine-9-propanoic acid 1.0202 0.9498 1.0363 0.9869
6-Hydroxy-R-acenocoumarol 0.4888 1.4051 0.3920 1.8845
6-Methyltetrahydropterin 0.9083 0.9971 1.0422 1.0830
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" 0.9458 1.0460 1.0276 0.9987
9^-Carboxy-alpha-chromanol 0.9850 0.8729 1.2082 0.9389
9-mercaptodethiobiotin 1.1080 0.9373 0.9426 0.9761
Acetylcarnitine 0.9829 0.9948 0.9976 1.0305
Acetyl-CoA 1.0918 1.0326 0.9941 0.8508
Acetylhomoserine 1.3649 0.6880 1.1412 0.6842
Acetylphosphopantetheine 1.2381 0.6043 1.4795 0.5987
Acrimarine N 0.8084 1.1506 0.9108 1.1941
acyl phosphatidylglycerol (n-C12:0) 1.0182 1.0418 0.8514 1.0826
Adenosine 1.8087 0.5412 0.8207 0.5598
Adenosine monophosphate 2.5033 0.1857 0.6143 0.1956
Adenosylhomocysteine 1.3197 0.7185 1.1439 0.7113
ADP 1.9749 0.3980 0.8479 0.4542
Agaritinal 0.7939 1.3598 0.8445 1.0706
Ajmaline 0.9365 1.0081 1.0144 1.0621
AK toxin I 1.4286 0.6058 1.1676 0.6552
Ala/Ala 1.1941 1.0115 0.9284 0.8013
Ala/Ala/Ala/Arg 0.7750 1.0824 1.3406 0.8770
Ala/Ala/Ala/Asn 1.1436 0.8681 1.0718 0.8687
Ala/Ala/Ala/Ser 1.0460 1.0087 0.9661 0.9639
Ala/Ala/Asn/Gln 1.4739 0.6015 1.1489 0.6177
Ala/Ala/Asn/Ser 1.2279 0.7890 1.2053 0.7018
Ala/Ala/Asp 1.3462 0.7889 0.9972 0.7523
Ala/Ala/Glu/Arg/Tyr 1.5479 0.6623 1.0224 0.5848
Ala/Ala/Glu/Glu/His 0.9851 0.9690 1.0693 0.9815
Ala/Ala/Glu/Ile/Gln 1.1970 NA 0.7373 NA
Ala/Ala/Glu/Ile/Pro 1.2603 0.7582 1.1522 0.7425
Ala/Ala/Glu/Trp/Trp 1.9654 0.2859 1.0911 0.3357
Ala/Ala/Gly/His 1.3644 0.6228 1.1633 0.7280
Ala/Ala/His 1.6122 0.5284 1.0933 0.5621
Ala/Ala/Ile/Pro/Gln 1.3498 0.7705 1.0397 0.7234
Ala/Ala/Phe/His/Arg 1.6319 0.5264 1.1462 0.4849
Ala/Ala/Pro/Arg/Tyr 0.9286 0.9923 1.1532 0.9497
Ala/Ala/Thr 1.7472 0.5258 1.0111 0.4667
Ala/Arg 1.3225 0.8747 0.7904 0.9050
Ala/Arg/Val/Tyr/Tyr 1.7673 0.1894 0.8024 0.1671
Ala/Asn/Asp/Ser 1.2248 0.8893 0.8108 1.0002
Ala/Asn/Pro/Pro 2.0205 0.3932 0.8590 0.3871
Ala/Asn/Ser 1.0661 1.0563 0.8962 0.9594
Ala/Asn/Ser/Tyr/Tyr 1.3429 NA 0.3143 NA
Ala/Asp/Asp/Ile/Ile 1.2271 0.8307 1.0787 0.7879
Ala/Asp/Cys 1.4402 0.6876 1.1375 0.5879
Ala/Asp/Gln/Gln 1.2332 0.8105 0.9732 0.9054
Ala/Asp/Gln/Pro 1.2811 NA 0.6252 NA
Ala/Asp/Gly/Arg 1.8076 0.3823 1.1464 0.3947
Ala/Asp/Ile/Gln/Val 1.2427 0.8186 0.8938 0.9640
Ala/Asp/Ile/Pro/Thr 1.3679 0.6808 1.2131 0.6157
Ala/Asp/Lys/Val/Tyr 2.1629 0.3778 0.8093 0.2623
Ala/Asp/Met/Pro/Val 1.4856 NA 0.7792 0.3599
Ala/Asp/Met/Thr/Thr 1.2166 0.8026 1.0907 0.8178
Ala/Asp/Phe/Pro/Arg 1.1952 0.9378 1.0312 0.7708
Ala/Asp/Phe/Pro/Trp 2.2798 0.1796 0.9023 0.2118
Ala/Asp/Pro/His 1.2347 NA 0.6871 NA
Ala/Asp/Ser 1.4139 0.7882 1.0288 0.6312
Ala/Asp/Ser/Ser/Trp 0.9498 1.0238 1.1168 0.9263
Ala/Cys/Cys/Cys/Asn 1.9186 0.4690 0.8552 0.4510
Ala/Cys/His/His/Lys 1.2748 NA 0.6336 NA
Ala/Cys/His/Lys/Ser 1.3366 0.1931 0.8202 NA
Ala/Cys/Lys/Met/Tyr 0.9498 0.8787 1.0455 1.1259
Ala/Cys/Lys/Ser/Thr 1.5214 0.6303 1.1166 0.5579
Ala/Gln 1.7209 0.5524 0.9191 0.5674
Ala/Gln/Gln/Ser 1.6098 0.5060 1.0158 0.4977
Ala/Gln/Gln/Tyr 1.1595 0.8809 0.9062 1.0003
Ala/Glu 1.4291 0.5495 0.9930 0.5850
Ala/Glu/Asn/Ile 1.2607 NA 0.6523 NA
Ala/Glu/Ile/Lys/Thr 0.7076 1.1404 0.8032 1.4462
Ala/Glu/Ile/Pro/Thr 1.1498 0.8111 1.2166 0.7725
Ala/Glu/Lys/Lys/Trp 1.4082 0.7612 1.0245 0.6701
Ala/Glu/Lys/Lys/Tyr 1.0812 0.9735 1.0097 0.9085
Ala/Glu/Lys/Pro/Pro 2.2488 0.1986 0.5992 0.2700
Ala/Glu/Met/Pro/Thr 1.2114 0.8557 1.0857 0.7767
Ala/His 2.3197 0.1774 0.8799 0.1832
Ala/His/Ile/Ile/Gln 1.1125 0.9299 0.9926 0.9276
Ala/His/Met/Arg/Thr 0.8560 1.0378 1.2228 0.9315
Ala/Ile/Ala/Ile 1.4570 0.6861 0.9581 0.7465
Ala/Ile/Lys/Lys/Trp 0.9987 0.8901 1.0492 1.0624
Ala/Leu/Ala/Gln 1.2640 0.7951 1.1598 0.6930
Ala/Leu/Ala/Ser 1.7101 0.4824 1.1364 0.4344
Ala/Leu/Asn/Ser 1.0439 0.8507 1.2731 0.8176
Ala/Leu/Asp/Asp 1.1807 0.7873 0.9393 1.0326
Ala/Leu/Asp/Pro 1.1194 0.7463 1.0945 NA
Ala/Leu/Asp/Ser 1.5345 0.6891 0.9732 0.6250
Ala/Leu/Cys/Gln 2.0201 0.3063 1.0440 0.2895
Ala/Leu/Gly/Pro 1.6495 0.3401 0.6032 0.2526
Ala/Leu/Gly/Ser 1.4176 0.6459 1.0814 0.7159
Ala/Leu/Lys/Pro 0.9927 0.9598 1.0525 0.9974
Ala/Leu/Met/Ser/Thr 2.1993 0.0688 1.2677 0.0644
Ala/Leu/Ser/Ser 1.2260 0.8150 1.0893 0.7944
Ala/Leu/Thr/Ala 0.9942 0.9526 1.0521 1.0031
Ala/Leu/Val/Ser 1.5972 0.4969 1.2033 0.5036
Ala/Lys/Ala/Ala 1.9064 0.1282 0.9687 0.1059
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 1.1492 0.8674 1.0885 0.8451
Ala/Lys/Gln/Thr/Tyr 1.2926 NA 0.8341 0.3273
Ala/Lys/Gln/Val/Tyr 1.1505 0.8368 1.1534 0.8091
Ala/Lys/Val/Gly 1.4574 0.6792 0.9923 0.7185
Ala/Lys/Val/Pro 1.3502 0.7091 1.1155 0.7085
Ala/Met/Met/His 1.0878 0.7571 1.0972 0.6001
Ala/Met/Met/Pro 2.3122 0.1035 1.0421 0.1048
Ala/Met/Thr/Ser 1.9640 0.2149 1.2949 0.2049
Alanine 1.0105 1.0355 0.9660 0.9846
Ala/Phe/Ala/Ala 1.4899 0.6131 1.1255 0.6082
Ala/Phe/His/Ile/Lys 0.6342 1.1740 0.3277 1.1720
Ala/Phe/His/Pro/Arg 1.4032 0.6895 1.1486 0.6243
Ala/Pro 2.2742 0.0917 1.1167 0.0927
Ala/Pro/Pro 1.5904 0.2462 0.7067 0.2722
Ala/Pro/Pro/Ser 1.3930 0.7942 1.0608 0.6210
Ala/Pro/Ser/Ser 1.3174 0.7274 1.1028 0.7466
Ala/Thr/Ala/Gln 1.5171 0.5826 1.0349 0.6931
Ala/Thr/Ala/Pro 1.2815 0.7538 1.1409 0.7300
Ala/Thr/Ala/Ser 1.1416 0.7448 1.0940 0.9724
Ala/Thr/Trp/Arg 1.2685 0.7691 1.1522 0.7207
Ala/Thr/Val/Val 1.4032 0.7549 1.0035 0.7039
Ala/Trp/Pro/Pro 2.0283 0.2855 1.1383 0.2051
Ala/Trp/Pro/Tyr 1.4725 0.6022 1.0226 0.7451
Ala/Tyr 1.8231 0.5281 0.9587 0.4157
Ala/Val/Ala/Asn 1.3054 0.6904 1.1792 0.7233
Ala/Val/Asn/Pro 1.3691 0.7297 1.0262 0.7519
Ala/Val/Asp/Pro 1.4073 0.7259 1.0612 0.6699
Ala/Val/Gly/His 1.1212 0.9050 0.9856 0.9478
Ala/Val/Gly/Pro 2.3539 0.0425 1.1099 0.0424
Ala/Val/Ser/Ser 1.9181 0.3928 1.0371 0.3459
Ala/Val/Val/Ser 1.1782 0.8386 1.0422 0.8817
Alexine 1.0614 0.9831 0.9139 1.0211
Allopurinol 1.0453 1.1995 0.6372 1.1028
Allylcysteine 0.9769 0.7184 1.6210 0.8908
Aloesol 7-glucoside 1.2742 0.8181 1.0997 0.7166
"alpha-(2,6-anhydro-3-deoxy-D-arabino-heptulopyranosid)onate 7-phosphate" 1.5645 0.6712 0.9609 0.6153
alpha-Butyl-omega-hydroxypoly(oxyethylene) poly(oxypropylene) 0.9522 1.0363 0.9332 1.0942
alpha-D-desosamine 0.9382 1.0619 0.9756 1.0450
alpha-NADP+ 1.2347 0.8520 0.9868 0.8482
Aminoacetone 1.1287 0.6347 1.5139 0.6799
Anaferine 1.0370 1.0181 0.9862 0.9463
Arg/Asp/Asp/Gly 0.9460 0.9944 0.9133 1.1643
Arg/Asp/Gly/Ser 1.7555 0.4550 1.0686 0.4690
Arginine 1.3198 0.7842 0.9865 0.8029
Arg-OEt 1.4197 0.6179 1.2197 0.6027
Arg/Thr/Asp/Ser 0.8641 0.9690 1.1429 1.0692
Arg/Trp/Gln/Arg 1.3411 NA 0.3178 NA
Arg/Tyr 1.4648 0.1824 0.6528 NA
Asn/Asn 1.2250 0.8309 1.0404 0.8288
Asn/Asn/Asp/Gly 0.8253 1.1721 0.9355 1.1253
Asn/Asn/Ser/Tyr 1.2477 NA 0.6697 NA
Asn/Gln/Thr/Tyr/Tyr 0.9844 0.9733 1.0359 1.0116
Asn/Glu/Asp/Ile 1.2548 0.9132 0.9869 0.7602
Asn/Glu/Ile/Pro 0.9646 0.9632 1.0625 1.0215
Asn/Glu/Ile/Ser 1.1791 NA 0.7612 NA
Asn/Glu/Ile/Tyr 1.7084 0.3719 0.8911 0.3747
Asn/Glu/Ile/Val 1.3415 0.5832 1.0623 0.8993
Asn/Gly/Pro 1.3180 0.7702 1.0281 0.7777
Asn/Gly/Pro/Pro 2.3577 0.0789 1.0375 0.0733
Asn/His 1.8432 0.4088 0.9536 0.5134
Asn/Leu/Gly/Pro 2.2475 0.1628 1.0047 0.1692
Asn/Leu/Lys/Trp 1.5287 0.5735 0.9915 0.7300
Asn/Leu/Met/Ser 2.1087 0.1865 1.1466 0.1887
Asn/Leu/Thr/Pro 1.2724 NA 0.6367 NA
Asn/Lys/Gly/Gly 1.2388 0.7777 1.1059 0.7980
Asn/Met/Gln/Ser 1.7037 0.5280 0.8964 0.6374
Asn/Met/Thr/Thr 1.1515 0.6407 1.4342 0.7231
Asn/Pro/Arg/Thr/Trp 1.1922 0.7772 1.1792 0.7873
Asn/Thr/Asp/Gly 1.0386 1.0990 1.0872 0.7622
Asn/Thr/Thr/Tyr/Tyr 0.8521 1.0393 1.0802 1.0776
Asn/Val/Asp/Gln 1.8656 0.3045 0.9842 0.3358
Asparagine 1.1500 0.9695 0.9368 0.8937
Asp/Asn/Asn/Asn/Ser 1.2274 0.8568 0.9988 0.8411
Asp/Asp/Asp/Arg/Tyr 0.8138 1.1177 1.0023 1.1284
Asp/Asp/Gln/Pro 1.7539 0.4762 0.9997 0.5189
Asp/Asp/His/Asn/Asn 1.1887 0.7599 1.1350 0.8535
Asp/Asp/Ile/Lys/Pro 1.5317 0.6128 1.1618 0.5165
Asp/Cys/Cys/Ser 0.8292 1.2668 0.7293 1.1414
Asp/Gln/Arg/Val/Trp 1.2587 0.8247 1.0350 0.7953
Asp/Glu/Glu/Glu/Ile 0.9652 0.9669 1.1374 0.9421
Asp/Glu/Glu/Lys/Lys 0.9634 0.9223 1.1803 0.9462
Asp/Glu/Leu/Met/Trp 1.4293 0.6021 1.1477 0.6777
Asp/Glu/Lys/Met/Thr 1.0752 0.7668 1.2803 0.8526
Asp/Gly/Asn/Asn/Asn 0.9276 1.0318 1.0020 1.0627
Asp/His/His/Gln/Ser 1.2505 0.4545 1.0297 NA
Asp/His/His/Lys/Met 1.2824 0.5988 0.7572 NA
Asp/His/Ser/Ser/Ser 2.2620 0.1913 0.9500 0.1761
Asp/Ile/Ile/Asn/Pro 1.2353 0.7723 1.1129 0.8011
Asp/Ile/Lys/Lys/Ser 1.4500 0.6458 1.2736 0.4805
Asp/Ile/Pro/Pro/Ser 1.0974 0.8874 1.1691 0.8136
Asp/Leu/Lys/Lys 1.0519 0.9511 0.9517 1.0280
Asp/Leu/Pro/Ser 1.2088 0.8210 1.1250 0.7755
Asp/Lys/Lys/Pro/Tyr 1.1177 0.9653 1.0746 0.8032
Asp/Met/Cys/Cys 0.9441 0.9550 1.0424 1.0772
Asp/Met/Met/Arg/Tyr 0.5082 1.3915 0.5605 1.5398
Asp/Phe/Gly/Gly 1.3015 0.7789 1.0633 0.7557
Asp/Phe/Ile/Lys/Asn 0.9822 1.0109 1.0586 0.9542
Asp/Phe/Lys/Gln/Tyr 0.8994 1.0725 0.8756 1.1861
Asp/Phe/Phe/Pro/Pro 1.2481 NA 0.6692 NA
Asp/Phe/Trp/Val 1.2275 0.8146 1.1263 0.7557
Asp/Pro/Pro 1.6073 0.5363 1.0193 0.6347
Asp/Pro/Val/Asn 1.4794 NA 0.3609 NA
Asp/Thr/Cys/Cys 1.1473 0.9217 1.0099 0.8720
Asp/Thr/Pro/Pro 1.2702 0.8158 1.0335 0.7905
Asp/Val/Pro/Ser 1.2772 0.7768 1.1059 0.7478
Avenanthramide 2s 0.7514 1.4217 0.8699 1.0399
Avenic acid A 1.0914 1.0362 0.9203 0.9217
bacteriochlorophyllide a 0.8176 1.1775 0.3713 1.3633
Balenine 1.4261 0.7384 1.0480 0.6455
Barbinine 0.8390 1.2272 0.9515 1.0360
benzalkonium 1.4479 0.7289 1.1121 0.5617
Benzoic acid 0.9583 1.1235 1.0193 0.9129
benzoyl cyanide NA 0.9961 0.5908 1.1403
Biotin 1.0801 1.0278 0.9908 0.8745
Biotin amide 1.0684 0.9704 1.0245 0.9139
Bis(2-ethylhexyl)phthalate 0.9252 1.0306 1.1443 0.9249
Brunfelsamidine 1.7460 0.4942 1.0417 0.4694
Butenylcarnitine 1.0031 0.9464 1.0755 0.9739
Butyric acid 0.9333 1.2149 0.9696 0.9044
Carbidopa 1.0470 0.9509 0.8674 1.1191
Carglumic acid 1.7847 0.4697 1.0689 0.4151
Caribine 1.0722 0.8819 1.0856 0.9362
Carnitine 1.0170 0.9863 0.9903 1.0007
Catalposide 1.8702 0.4908 0.8149 0.5341
CDP 1.3319 0.8425 0.9888 0.7262
Centarol 0.9847 1.0233 1.0732 0.7948
Cer(d42:2) 1.0720 1.0674 0.9083 0.9283
Cichorine 1.0201 1.0491 1.0002 0.9238
Citicoline 1.8390 0.5380 0.8338 0.5096
Citrulline 1.4326 0.8218 0.7986 0.8028
CMP-2-aminoethylphosphonate 0.7198 1.1069 1.2095 1.0572
Codeine 0.5292 1.3449 0.7272 1.5556
Cohibin A 1.6318 0.4528 0.7186 0.4111
Cohibin C 1.5845 0.6848 0.9333 0.6027
Convicine 0.9270 1.1004 0.9225 1.0745
Coproporphyrin I 1.2999 1.0764 0.9721 0.5516
Coriandrone D 0.8985 0.9495 1.0873 1.0985
Creatine 0.9872 1.0331 0.9944 0.9896
CTAB 0.9086 1.1280 1.1158 0.8780
Cyclic AMP 1.5603 0.5602 1.1275 0.5653
Cyclohex-2-enone 1.0842 1.3106 0.7672 0.8098
"cyclopropane phosphatidylethanolamine (dihexadec-9,10-cyclo-anoyl, n-C16:0 cyclo)" 0.9958 1.0360 0.9261 1.0436
Cys/Asn/Pro/Arg/Ser 1.0502 0.8601 1.1354 0.9376
Cys/Asp/Asp/Met/Arg 1.2597 0.8182 0.9912 0.8443
Cys/Asp/Glu/His/Trp 0.7678 1.1870 0.9593 1.1633
Cys/Asp/Glu/Phe/Tyr 0.8133 0.9546 0.9201 1.3743
Cys/Asp/Gly/His/Pro 1.1968 0.8488 0.9692 0.9196
Cys/Asp/His/His/Thr 0.6778 1.2877 0.9604 1.1815
Cys/Asp/Lys/Met/Asn 1.6765 0.4923 1.0911 0.5146
Cys/Asp/Met/Arg/Trp 0.8904 1.0516 1.0231 1.0715
Cys/Asp/Phe/Pro/Pro 0.9786 0.7347 1.5633 0.7306
Cys/Cys/Asp/Asp/Thr 0.5818 1.2726 0.0596 1.3197
Cys/Cys/Asp/Gly/Ser 1.0813 0.9383 0.7404 1.2129
Cys/Cys/Asp/His/His 1.2460 0.8703 1.3064 0.4953
Cys/Cys/Asp/Lys/Gln 1.1863 0.8019 1.1268 0.8230
Cys/Cys/Asp/Pro/Trp 0.7821 0.9671 1.0713 1.2521
Cys/Cys/Cys/Asp/Gly 1.2473 NA 0.0107 NA
Cys/Cys/Gly/His/Lys 1.1455 0.7987 1.1743 0.8330
Cys/Cys/His/His/Trp 1.1811 0.9941 1.0476 0.7169
Cys/Cys/Ile/Lys/Pro 1.1227 0.8747 1.0112 0.9504
Cys/Gly/Arg/Arg/Tyr 0.8542 1.0742 0.8830 1.2372
Cys/Gly/His/Asn/Arg 1.3358 0.6933 1.1114 0.7476
Cys/Gly/Pro 0.7946 1.1429 0.9680 1.1629
Cys/His/His/Lys/Tyr 1.5105 0.7644 1.0907 0.4642
Cys/His/Ile/Gln/Gln 1.1315 0.8803 1.1323 0.8120
Cys/His/Lys/Asn/Pro 1.2688 0.7751 1.1410 0.7255
Cys/His/Lys/Pro/Gln 1.0888 0.9745 1.0980 0.8091
Cys/His/Lys/Tyr/Tyr 0.7557 1.1287 1.0352 1.1619
Cys/Lys/Arg/Thr/Trp 1.3161 0.3531 0.9861 0.4245
Cys/Lys/Asn/Arg/Tyr 0.9204 0.9550 1.0535 1.0976
Cys/Lys/Pro/Pro 2.0999 0.3466 0.6286 0.3374
Cys/Phe/Gly/Gly 0.6828 1.1976 0.7187 1.5066
Cys/Phe/His/His/Asn 1.3888 0.4331 1.3059 0.2279
Cys/Phe/Pro/Arg/Arg 1.3735 NA 0.5020 NA
Cys/Phe/Trp/Trp/Trp 1.0313 0.8571 1.2035 0.6930
Cys/Ser/Ser/Tyr/Tyr 1.3219 0.9479 0.8747 0.7482
Cysteinyl-Hydroxyproline 0.6900 1.2271 0.5994 1.5868
Cys/Thr/Thr/Thr 1.7866 0.4430 1.1062 0.4020
Cys/Tyr 0.5082 1.4874 0.5407 1.6277
Cytidine 1.4201 0.7688 0.9039 0.7671
Cytidine monophosphate 1.4835 0.7326 0.9333 0.6895
Cytosine 1.3004 0.7626 0.9430 0.8939
dADP 1.1304 0.8017 1.1905 0.8340
dCMP 0.7369 1.0917 1.1749 1.0842
Deidaclin 0.7706 1.4346 0.6629 1.2083
Demeclocycline 0.8005 0.9028 1.4045 0.9587
Demecolcine 0.9056 1.0755 0.9073 1.1430
Demethoxyfumitremorgin C 0.9172 0.8882 1.1136 1.1086
Demethylated antipyrine 0.8938 1.1827 0.8954 1.0635
Deoxyadenosine 1.3018 0.7343 1.1167 0.7465
Deoxyadenosine monophosphate 1.7410 0.4039 1.2522 0.3558
Deoxycytidine 1.9879 0.3868 0.8969 0.3992
DG(39:0) 0.8512 1.0227 1.2438 0.9319
diamide 1.2061 0.8789 0.9503 0.8960
Dieporeticenin 1.6468 0.6175 0.8851 0.6351
Diethanolamine 0.8544 1.2675 1.0393 0.8873
Dihydrothymine 0.9185 1.0960 0.8857 1.1270
dioctylamine 1.0670 0.9767 1.1163 0.8178
DL-2-Aminooctanoic acid 0.9901 1.0177 0.9961 0.9994
dodecyltrimethylammonium 1.0296 1.0226 0.9501 0.9878
Dopa 1.0232 1.0355 0.9388 0.9948
Dopachrome 0.8588 1.0723 1.0978 1.0182
"dTDP-3,4-dioxo-2,6-dideoxy-D-glucose" 1.2820 0.8056 0.9474 0.8709
Enigmol 1.1689 0.9370 0.9876 0.8502
Epinephrine 1.4218 0.7454 0.8819 0.8102
Ergothioneine 1.3333 0.6710 1.4540 0.4305
"erythro-(2R,3R)-dihydroxybutylamide" 1.1147 0.9092 1.0394 0.8985
Erythrose 4-phosphate 0.5390 1.0044 0.6994 1.2494
Ethyl -3-hydroxybutyrate 1.0400 1.0055 1.2276 0.7137
Ethyl beta-D-glucopyranoside 1.2109 0.9643 0.9537 0.8008
Ethyl carbamate 1.9445 0.3407 1.0318 0.3680
Eucaglobulin 1.0225 0.9785 1.0229 0.9685
Fabianine 1.0031 0.9483 1.0213 1.0263
FAD 1.3761 0.8421 0.9102 0.7463
Fasoracetam 0.7848 1.2601 0.8293 1.1976
FeHM 1.2145 0.8391 1.3993 0.4757
Fenugreekine 1.2242 0.8118 1.0473 0.8421
flutolanil 0.2111 1.3919 0.3069 1.8591
Folic acid 1.1037 0.9608 0.9832 0.9177
formylaminopyrimidine 1.4504 0.7333 0.9034 0.7627
fumiquinazoline F-indoline-3^-ol 0.8991 1.0305 1.0477 1.0564
Galactose 1-phosphate 1.0980 1.1281 0.8511 0.8901
gamma-Aminobutyric acid 0.9037 1.1899 0.8744 1.0641
Gamma-Butyrolactone 0.9369 1.1001 1.0237 0.9604
gamma-Glutamylcysteine 0.7530 1.3228 0.8383 1.1683
gamma-glutamyl-isopropylamide 1.0718 0.9559 0.9959 0.9525
gamma-glutamyl-L-alaninol 1.3219 0.7578 1.0865 0.7265
gamma-Glutamylleucine 1.0586 0.9217 1.1027 0.8974
Gamma-glutamyl-L-putrescine 0.9604 1.0830 0.9125 1.0573
Gamma-Glutamyl-Se-methylselenocysteine 1.6420 0.4884 1.0176 0.6379
Gln/Gln/Gln/Gln 1.3358 NA 0.5523 NA
Gln/Gly/Pro/Pro 1.3350 NA 0.5533 NA
Gln/Leu/Thr/Gln 1.4435 0.6541 1.0889 0.6656
Gln/Trp/Pro/Tyr 1.3440 0.6414 1.1141 0.7859
Glu/Ala/Gln/Pro 1.3511 NA 0.5319 NA
Glu/Arg/Arg/Arg/Tyr 0.5383 1.3412 0.7660 1.5084
Glu/Cys/Cys 0.9449 1.0915 0.9313 1.0507
Glu/Cys/Thr 1.3323 0.7663 1.0121 0.7785
Glu/Gln 1.1603 NA 0.7863 NA
Glu/Glu/Gln/Ile 1.1876 NA 0.7498 NA
Glu/Glu/Gln/Leu 1.2699 0.8597 0.9955 0.7851
Glu/Glu/Glu/Ile/Met 1.7165 0.3925 0.8972 0.2650
Glu/Glu/Glu/Lys/Trp 1.3085 NA 0.5886 NA
Glu/Glu/Lys/Pro 1.9203 0.3475 1.1249 0.3004
Glu/Glu/Met/Ser 1.2974 NA 0.6034 NA
Glu/Glu/Phe/Phe/Arg 1.4402 NA 0.6994 0.1409
Glu/Glu/Pro/Pro 1.4854 0.4170 0.8891 0.4871
Glu/Gly 1.3419 0.7047 1.1163 0.6248
Glu/His 1.2762 NA 0.6317 NA
Glu/Ile/Gln/Gln 1.4054 NA 0.1891 NA
Glu/Ile/Gln/Thr 1.2217 0.8345 1.0509 0.8190
Glu/Ile/Ile/Gln/Trp 1.3036 NA 0.3928 NA
Glu/Ile/Lys/Pro/Arg 1.5835 0.3648 1.5507 0.3065
Glu/Ile/Pro/Pro 1.6328 0.4466 1.2525 0.4571
Glu/Lys 1.7032 0.5570 0.9497 0.5558
Glu/Lys/Lys/Gln/Tyr 1.2785 0.7942 1.0180 0.8165
Glu/Lys/Pro/Gln/Tyr 0.8076 1.1965 1.1964 0.8636
Glu/Met/Phe 1.4783 0.7357 0.9516 0.6750
Glu/Met/Thr 1.1023 0.9273 0.9120 1.0243
Glu/Phe/Lys/Gln/Val 1.1081 0.9374 1.1374 0.7811
Glu/Pro/Glu 2.1532 0.1942 1.0952 0.1730
Glu/Pro/Pro 1.1459 0.9572 0.8743 0.9738
Glu/Pro/Val 1.2159 0.3976 1.1026 0.4308
Glu/Ser/Thr 1.1178 0.8953 1.0787 0.8689
Glutamine 0.9047 1.0969 0.9208 1.1094
Glutathione 1.4260 0.6644 1.1368 0.6308
Glu/Trp/Trp/Cys 1.2790 1.0829 0.7691 0.7759
Glycerophosphocholine 0.7114 1.0312 1.3224 1.0312
Gly/His 1.0015 1.0191 0.9865 0.9924
Gly/Leu 2.2996 0.1554 0.9556 0.1562
Gly/Pro 1.5379 0.5452 1.2066 0.5310
Gly/Pro/Arg 1.2047 0.5081 0.8911 NA
Gly/Pro/Pro 2.1845 0.2218 0.9864 0.2125
Gly/Ser/His 1.0824 0.8971 1.0586 0.9344
Guanine 1.1561 0.5812 1.5552 0.6554
Guanosine 1.4076 0.3670 1.6576 0.4320
Guanosine diphosphate 1.2320 0.7958 0.9944 0.9004
Guanosine monophosphate 1.7395 NA 0.5241 0.2349
Heliamine 0.9882 0.9954 1.0071 1.0133
Heterophyllin 1.1069 0.8008 1.1424 0.9142
Hexaethylene glycol 1.0353 0.4055 2.0638 0.4837
hexenedioylcarnitine 0.9703 1.0235 0.8760 1.1401
Hexylamine 0.8642 1.1187 0.9412 1.1212
His/His/Asn/Trp/Trp 0.5161 1.2983 0.7519 1.5950
His/His/His/Lys/Gln 1.5152 0.4866 1.2962 0.5303
His/His/His/Lys/Tyr 1.3668 0.8054 1.0034 0.7021
His/His/Lys/Met/Val 1.3869 NA 0.4842 NA
His/Ile/Met/Arg/Thr 0.9973 1.0654 1.0046 0.9337
His/Ile/Met/Met/Thr 1.2401 NA 0.6799 NA
His/Ile/Met/Met/Trp 1.7977 0.3625 1.1870 0.3870
His/Ile/Met/Pro/Arg 1.1432 0.7927 1.2218 0.7946
His/Leu/Lys/Pro 1.3448 0.7509 1.0948 0.6946
His/Lys/Trp/Ser 1.5312 0.5832 1.1464 0.5621
His/Phe 1.5186 0.2475 0.5594 NA
Histidine 1.7155 0.5684 0.9263 0.5514
Histidine trimethylbetaine 0.9958 0.9993 1.0192 0.9871
His/Val/Asp 1.3191 0.7217 1.0813 0.7715
His/Val/Asp/Asp 2.3156 0.0858 1.0516 0.1085
Homoglutathione 0.9865 0.9688 1.0291 1.0202
Homo-L-arginine 1.8545 0.3720 1.1170 0.3717
hydroxyisovaleroyl carnitine 0.9904 1.0304 1.0175 0.9649
Hydroxyprolyl-Proline 1.4312 0.6857 0.9727 0.7666
Hypoxanthine 0.9660 0.9927 1.0273 1.0254
Ile/Ala 2.4126 0.0760 0.9598 0.0807
Ile/Ala/Gly 1.2804 0.6116 0.7789 0.9301
Ile/Arg 1.6692 0.5572 0.9389 0.6116
Ile/Asn 2.3238 0.1941 0.8485 0.1924
Ile/Cys/Phe 0.6941 1.1298 0.9450 1.3330
Ile/Cys/Tyr 0.6218 1.2864 0.8465 1.3714
Ile/Gly/His 1.2687 0.7356 1.0787 0.8276
Ile/Gly/Met 1.4775 0.4453 0.3223 NA
Ile/Gly/Phe 1.2733 0.7359 1.0834 0.8162
Ile/Gly/Pro 1.5691 0.5598 1.0649 0.6166
Ile/Gly/Val 1.7000 0.2431 1.0100 0.3418
Ile/His/Ser 1.4777 0.7138 0.8747 0.7746
Ile/His/Val 1.3403 0.6787 1.1899 0.6777
Ile/Lys 1.6204 0.6341 0.9347 0.6040
Ile/Lys/Met/Met/Tyr 1.1790 0.8251 1.0730 0.9476
Ile/Lys/Pro 1.0105 0.9447 1.0715 0.9698
Ile/Lys/Ser 1.1036 1.0021 0.9610 0.8988
Ile/Met/Ser/Thr/Tyr 1.2951 NA 0.6065 NA
Ile/Met/Ser/Tyr 2.1835 0.1373 1.1484 0.1363
Ile/Met/Thr/Ser 1.5069 0.7191 1.0154 0.5895
Ile/Phe/Thr/Pro 1.3229 NA 0.5694 NA
Ile/Pro 0.9730 1.0264 1.0098 0.9998
Ile/Pro/Pro 1.8682 0.5045 0.7760 0.4872
Ile/Pro/Ser 1.4764 NA 0.3648 NA
Ile/Ser/Val 1.4281 0.7079 0.9933 0.7280
Ile/Thr 1.8923 0.4583 1.0011 0.3510
Imidazoleacetic acid 1.0715 0.9090 1.1664 0.8291
Iminoglycine 1.4961 0.6675 1.0294 0.6417
Indenestrol A 0.9478 1.0841 0.9615 1.0241
indole-3-acetonitrile oxide 0.4996 1.4494 0.5534 1.6643
Inosyl-L-homocysteine 1.1010 0.9302 0.9861 0.9491
Isoleucine 1.0441 1.0579 1.0245 0.8588
Isonicotineamide 1.2139 0.8164 1.0576 0.8408
Isopentyl beta-D-glucoside 1.2139 1.0062 1.0126 0.6960
Isosophoranone 1.0902 1.0173 1.0151 0.8473
Jasminine 1.0864 0.9108 1.0161 0.9579
Kanzonol V 1.0712 0.9839 1.0479 0.8732
Labienoxime 1.0257 0.9884 1.0166 0.9608
Lenticin 1.0365 0.9662 1.0420 0.9431
Leu/Ala 1.0016 0.9863 1.0028 1.0089
Leu/Asn/Gly 1.8322 0.3794 1.1728 0.3382
Leu/Asp 1.4846 0.6555 1.0145 0.6838
Leucine 0.7825 1.2113 1.0192 1.0595
Leu/Gly/His 1.4605 0.6233 1.0687 0.6939
Leu/Gly/Pro 1.7675 0.3253 1.3137 0.3377
Leu/His 2.4303 0.0892 0.9076 0.0961
Leu/Leu/Pro/Ser 2.4096 0.0593 1.0043 0.0569
Leu/Met/Thr/Ser 1.6959 0.4052 1.0956 0.5714
Leu/Pro 1.9261 0.3430 1.1194 0.3029
Leu/Pro/Ser 1.6942 0.4285 0.8194 0.4794
Leu/Ser 1.3755 0.7735 0.9540 0.7719
Leu/Ser/Tyr 1.6163 0.5684 1.0397 0.5701
Licoricone 1.2927 0.7910 1.0162 0.8025
Linamarin 0.9423 0.9881 1.0599 1.0288
"L,L-Cyclo(leucylprolyl)" 1.0078 0.8753 1.1306 0.9838
Lotaustralin 1.0154 0.9892 1.0053 0.9850
LPC 0.8926 0.9373 1.1096 1.0963
Lupinate 0.9605 1.0059 0.9957 1.0511
Lycoflexine 1.0071 1.0058 0.9847 1.0000
Lys/Asn 1.1717 0.7125 1.0799 0.8829
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 2.2429 0.2411 0.8547 0.2471
Lysine 1.9869 0.3578 0.9703 0.3561
"Lysine 1,6-lactam" 0.9709 0.9599 0.9937 1.0852
Lys/Met/Met/Val/Tyr 1.5435 0.7082 0.8613 0.7059
LysoPC(14:0) 1.3086 0.8066 1.0552 0.7267
LysoPC(16:0) 0.8934 1.0777 1.0167 1.0477
LysoPC(18:0) 0.6573 1.2381 0.8677 1.3511
LysoPC(18:1) 0.9682 1.0781 0.9611 1.0031
LysoPC(18:2) 1.0802 0.9926 0.9640 0.9364
LysoPC(P-16:0) 0.7778 1.1397 1.0500 1.1066
LysoPE(14:0) 1.0141 1.0308 1.2322 0.7228
LysoPE(16:0) 0.8805 0.9802 1.2376 0.9414
LysoPE(18:0) 1.0313 0.9714 1.0956 0.8914
LysoPE(18:1) 0.9243 1.0323 1.1057 0.9628
LysoPE(O-18:0) 1.0506 0.8749 1.1443 0.9132
LysoPI(13:0) 2.2068 0.2447 0.9734 0.1728
LysoPS(18:2) NA 1.0230 0.8478 1.1293
Lys/Phe 0.8211 1.1360 1.0341 1.0684
Lys/Pro 2.3206 0.1157 1.0283 0.0952
Lys/Pro/Pro 1.8157 0.4475 1.0425 0.4224
Lys/Ser 1.4053 0.7582 0.9581 0.7433
Lys/Thr/Ser/Tyr 1.1859 0.8334 1.1091 0.8096
Lys/Trp/Val/Gly 1.1202 NA 0.5192 NA
Lys/Tyr 1.6177 0.5496 1.0984 0.5284
Lys/Val/Pro 1.1538 0.8507 0.9710 0.9731
magnesium-protoporphyrin IX 13-monomethyl ester 1.3222 0.7302 1.3030 0.5373
Majusculoic acid 1.3594 0.8365 0.9178 0.7665
manumycin B 1.6296 0.5183 1.1118 0.5304
Mayolene-20 1.6513 0.8100 0.7018 0.6199
Mercaptoethanol 1.3595 0.3539 0.3382 1.8286
Mesuol 0.8428 1.1039 0.9247 1.1810
Met/Ala/Gly 1.1061 0.9340 1.0298 0.8947
Methionine 0.7031 1.3503 0.8854 1.1602
Methionine sulfoxide 0.9652 0.9759 1.0057 1.0649
Methocarbamol 1.3834 0.5985 1.5399 0.3505
Methyl 2-diazoacetamidohexonate 1.1967 0.8382 1.2175 0.6820
Met/Met/Met/Pro 1.3321 NA 0.3358 NA
Met/Met/Thr 1.5292 0.3731 0.6595 0.5316
Met/Phe/Asp 1.2171 0.7297 1.1408 0.8401
Met/Ser 0.3463 1.3745 0.6578 1.8394
Met/Thr/Asp 1.0609 0.9587 1.0686 0.8914
Met/Thr/Thr/Thr/Thr 1.2547 0.7237 1.2149 0.7218
Mimosine 2.0830 0.2639 0.9766 0.3155
Montecristin 1.4884 0.7498 0.9837 0.6153
Muramic acid 1.0523 1.0445 0.8481 1.0376
mycaminose 1.0562 1.0762 0.9447 0.9041
Myxochelin A 1.2535 0.9262 0.9742 0.7615
N-(1-Deoxy-1-fructosyl)leucine 1.1144 0.9358 0.9637 0.9480
N-(1-Deoxy-1-fructosyl)proline 1.1030 0.9150 0.9553 0.9924
N-(3-oxooctanoyl)-L-homoserine 1.0535 0.9355 0.9750 1.0181
N4-Acetylaminobutanal 1.0553 0.9778 0.9780 0.9704
N6-Acetyl-L-lysine 1.3184 0.8192 0.9755 0.7807
N6-Acetyl-N6-hydroxy-L-lysine 0.9956 1.0410 0.9718 0.9929
N(6)-Methyllysine 1.2871 0.6988 1.2496 0.6688
"N6,N6,N6-Trimethyl-L-lysine" 1.2371 0.7971 1.0227 0.8641
N-a-Acetyl-L-arginine 1.2500 0.7898 0.9602 0.9166
"N-Acetyl-2,3-dihydro-1H-pyrrole" 0.9645 0.9376 1.0802 1.0295
N-Acetyl-D-fucosamine 0.9289 1.0086 0.9314 1.1548
N-Acetylhistidine 0.9169 1.0386 1.0617 1.0104
N-Acetylisatin NA 0.9938 0.4506 1.1893
N-acetyl-L-2-aminoadipate(2-) 1.0149 0.9267 0.9476 1.1058
N-Acetyllactosamine 1.0597 0.9271 1.0579 0.9353
N-Acetylmannosamine 1.0756 0.9323 1.0257 0.9413
N-acetyl-O-acetylneuraminate 0.7150 0.9912 1.1763 1.2125
N-Acetylputrescine 1.0020 0.9772 1.0077 1.0125
Nalpha-(3-hydroxy-3-methylhexanoyl)-L-glutamine 1.3095 0.7980 1.0214 0.7679
Nalpha-[-3-methylhex-2-enoyl]-L-glutamine 0.9387 1.0065 1.0676 1.0077
Nalpha-Methylhistidine 1.2946 0.7489 0.9800 0.8783
N(alpha)-t-Butoxycarbonyl-L-leucine 1.0940 0.9559 1.0101 0.9088
N-Desalkyl flurazepam 1.3116 0.6986 1.1664 0.7196
N-D-Glucosylarylamine 1.1909 0.7630 0.9722 1.0103
N-(docosanoyl)-pentadecasphing-4-enine-1-phosphoethanolamine 0.8458 1.0230 1.2059 0.9767
N-(docosanoyl)-pentadecasphingadienine-1-phosphoethanolamine 0.8983 1.0509 1.0589 1.0258
Nebrosteroid M 0.8302 1.1677 1.1044 0.9543
N-(eicosanoyl)-hexadecasphing-4-enine-1-phosphoethanolamine 0.9353 1.0299 1.0205 1.0358
"Ne,Ne dimethyllysine" 1.6405 0.4912 1.1440 0.5108
Neotussilagine 0.9963 0.9862 1.0362 0.9825
N-(hexacosenoyl)-sphinganine-1-phosphocholine 1.2326 1.0001 0.8926 0.7972
N-Hexadecanoylpyrrolidine 0.8369 1.1124 0.9574 1.1476
N-hydroxy-L-dihomomethionine 1.0190 0.9910 0.9827 1.0011
Niacinamide 0.8577 1.1677 1.0543 0.9678
Nicotinamide hypoxanthine dinucleotide 1.1847 0.8240 1.0888 0.8410
Nicotinic acid 0.7962 0.9569 1.4546 0.8603
N-Methylalanine 0.9563 1.0555 1.0102 0.9925
N-(tricosanoyl)-hexadecasphing-4-enine-1-phosphoethanolamine 0.9297 1.1070 0.9078 1.0790
nva-FMDP 0.8978 1.0349 1.1604 0.9410
O-(17-carboxyheptadecanoyl)carnitine 0.8715 1.0944 1.1066 0.9704
Octylamine 0.9894 0.9939 1.0204 0.9999
Oleoylcarnitine 0.8865 1.0722 0.9817 1.0974
O-methylandrocymbine 1.8496 0.3914 1.1099 0.3659
O-Phosphoethanolamine 1.4048 0.8025 0.9387 0.7189
Ophthalmic acid 1.0979 0.9477 0.9462 0.9756
O-Succinylhomoserine 1.6829 0.5549 0.9838 0.5508
Otonecine 0.9992 1.0292 0.9686 1.0033
Oxidized glutathione 1.0406 1.0944 0.6892 1.1623
Palmitoylcarnitine 0.7332 1.2331 1.0003 1.1223
Pantothenic acid 1.4770 0.7153 0.9036 0.7451
PA-PI 0.6741 0.9918 1.2076 1.2352
PC(13:0) 0.7157 1.1705 1.1863 1.0223
PC(14:1) 0.9467 1.0490 1.1209 0.9012
PC(14:2) 1.0455 0.8503 1.2021 0.8869
PC(15:1) 1.1006 0.9448 1.0248 0.8962
PC(29:1) 1.2390 0.8750 0.9328 0.8735
PC(30:0) 1.0789 0.9829 0.9992 0.9127
PC(31:2) 1.0077 1.0522 0.8239 1.1136
PC(32:0) 1.1169 0.9941 0.9030 0.9471
PC(32:1) 1.3658 0.7628 0.9128 0.8367
PC(32:2) 1.3792 0.7142 1.0692 0.7110
PC(32:3) 1.3217 0.7139 1.1125 0.7447
PC(33:1) 1.1321 0.9119 1.0534 0.8586
PC(33:3) 1.1170 1.1371 0.5073 1.1997
PC(33:4) 0.8429 1.0980 0.9537 1.1578
PC(33:5) 0.9100 1.0831 0.9353 1.1016
PC(34:1) 1.0684 0.9640 0.9864 0.9584
PC(34:2) 1.1101 0.9319 0.9850 0.9363
PC(35:1) 1.1902 0.9152 0.9268 0.9044
PC(35:2) 1.2398 0.8486 0.9687 0.8630
PC(35:4) 1.0545 0.8688 0.9407 1.1178
PC(35:5) 0.9780 1.0158 0.9182 1.0954
PC(36:1) 1.0051 1.0304 0.9296 1.0333
PC(36:2) 1.0301 0.9890 0.9408 1.0301
PC(36:4) 0.9266 1.0590 0.9703 1.0686
PC(36:5) 1.1145 0.9272 1.0147 0.9054
PC(38:3) 0.9887 1.0492 0.9213 1.0446
PC(38:4) 0.9960 1.0638 0.9399 1.0016
PC(38:5) 1.0574 1.0218 0.9190 0.9827
PC(38:6) 1.1031 0.9347 0.9769 0.9509
PC(40:5) 0.9884 1.0560 0.8992 1.0603
PC(40:6) 1.0117 1.0148 0.9532 1.0165
PC(40:7) 0.8831 1.0684 1.0406 1.0469
PC(O-16:0) 0.7942 1.1547 0.9776 1.1420
PC(P-32:0) 0.9332 1.1547 0.9390 0.9954
PC(P-34:1) 0.8712 1.0374 1.0045 1.1298
PC(P-36:1) 0.8852 1.0272 1.0118 1.1141
PC(P-36:2) 0.7646 1.0997 1.0048 1.2093
PE(19:0) 1.1069 0.9743 0.8932 0.9901
PE(32:1) 1.1441 0.9071 0.9668 0.9340
PE(33:0) 1.1419 0.9135 1.1774 0.7198
PE(33:1) 1.4754 0.6855 0.9524 0.7283
PE(34:0) 1.0998 0.9958 0.8879 0.9832
PE(34:1) 1.0593 1.0300 0.9441 0.9468
PE(34:2) 0.9583 0.9372 0.9928 1.1255
PE(35:0) 1.0243 1.0610 0.9348 0.9718
PE(35:1) 1.3724 0.7452 0.9839 0.7744
PE(36:1) 1.3520 0.8784 0.9640 0.6883
PE(36:2) 1.1531 0.9355 0.9472 0.9132
PE(36:4) 0.9178 1.0820 0.9553 1.0724
PE(37:2) 1.1518 0.9687 0.8171 1.0118
PE(37:3) 1.3301 0.5705 1.1472 0.8422
PE(38:1) 1.1086 0.9508 0.9757 0.9287
PE(38:2) 1.1466 0.8974 0.9815 0.9257
PE(38:4) 1.1183 0.8775 0.9192 1.0456
PE(38:5) 0.7798 1.1570 0.9892 1.1473
PE(39:1) 1.0973 1.0478 0.6845 1.1380
PE(39:4) 1.0782 0.9515 0.9801 0.9641
PE(41:1) 0.9410 1.0453 0.9721 1.0613
PE(41:2) 0.9124 1.0904 0.9012 1.1253
PE(41:4) 0.8266 1.1462 0.9440 1.1410
PE(41:5) 0.8633 1.0634 1.0193 1.0997
PE(41:6) 1.0681 0.9283 1.0184 0.9625
PE(42:5) 1.0720 0.8946 0.9854 1.0240
penem CGP31608 1.0318 1.0067 0.7787 1.1723
pentaethylene glycol 1.1761 1.0385 1.0653 0.6614
pentetate 1.4324 0.6214 1.1264 0.6756
PE(O-38:5) 0.9323 1.0928 0.8840 1.1134
PE(P-20:0) 0.8730 0.9837 1.1374 1.0482
PE(P-36:1) 0.9531 1.0721 0.9980 0.9925
PE(P-38:4) 0.9191 1.1125 0.9136 1.0818
PE(P-40:4) 1.0406 1.0510 0.9088 0.9862
PE(P-40:5) 0.9597 1.0904 0.9005 1.0629
Phe/Ala 1.8974 0.4550 0.9758 0.3727
Phe/Asn 2.2051 0.1757 1.0234 0.1941
Phe/Gly 2.3759 0.1056 0.9553 0.1046
Phe/Gly/Arg/Arg/Trp 1.3432 0.5188 0.7028 NA
Phe/Gly/His 1.9418 0.2507 1.0160 0.2279
Phe/Gly/His/Lys/Arg 1.2357 0.7662 1.1830 0.7366
Phe/Lys/Arg/Thr/Tyr 0.5175 1.3368 0.8774 1.4291
Phenylalanine 1.2366 0.8905 1.0746 0.7194
Phenylethylmalonamide 1.5775 0.5723 1.0596 0.5982
phenyl sulfoxide 0.8079 1.0338 1.0547 1.1676
Phe/Pro/His 1.8984 0.3913 1.0163 0.3946
Phe/Thr 1.6623 0.4625 1.0736 0.5808
Phe/Thr/Pro 1.6244 0.1298 0.4575 NA
Phe/Thr/Thr/Tyr 1.0322 1.0432 1.1278 0.7860
PHODiA-PG 1.5378 0.5493 1.2396 0.4940
Phosphinothricin 1.1388 0.8292 1.0645 0.9211
Phosphonoacetaldehyde 0.9365 0.9785 1.1092 0.9971
Pipecolic acid 2.0849 0.3515 0.9222 0.2798
Pipericine 0.7892 1.1111 1.0091 1.1608
Piperidine 2.1162 0.2844 0.9846 0.2428
piperidine-3-carboxylate 1.2334 0.8036 1.0186 0.8667
platensimycin 2.4247 0.1176 0.8868 0.0961
Polyoxyethylene dioleate 1.6626 0.6849 0.7674 0.4963
POV-PG 1.2973 0.8265 0.9508 0.8263
Pro/Ala/Asp 2.3760 0.1257 0.8957 0.1439
Pro/Ala/Glu 2.1909 0.1272 0.8898 0.1043
Pro/Ala/Glu/Phe 1.9843 0.4212 0.9236 0.3429
Pro/Ala/Pro 1.0985 0.8929 1.0461 0.9297
Pro/Asn 2.0936 0.1739 1.1937 0.1743
Pro/Asn/Ala 1.6053 0.3125 1.1349 0.2745
Pro/Asp 2.3047 0.1330 1.0151 0.1123
Procaterol 1.0218 0.9255 1.0011 1.0443
Pro/Glu 2.1905 0.1731 1.0722 0.1674
Pro/Glu/Asn 1.2514 NA 0.6649 NA
Pro/Glu/Asn/Phe 1.3457 NA 0.7965 0.2278
Pro/Gly/Ala 1.4050 0.6688 1.0747 0.7165
Pro/Gly/Gly/Pro 1.3527 0.6796 1.1388 0.7113
Pro/His 2.2060 0.1645 1.0823 0.1451
Proline 1.3317 0.8298 1.0214 0.7066
Pro/Pro/Pro 1.6370 0.5537 1.0393 0.5578
Pro/Pro/Ser 1.9342 0.3108 1.1630 0.2806
Pro/Pro/Val/Gln 2.6131 0.0288 0.7876 0.0328
Pro/Ser 1.5699 0.5288 1.1070 0.6044
Pro/Thr 2.1599 0.1211 1.2136 0.1189
Pro/Trp 2.4079 0.0752 0.9727 0.0749
Pro/Trp/Thr 2.4989 0.0783 0.8609 0.0623
Pro/Tyr 1.9619 0.3594 0.9752 0.3828
Pro/Val/Asn 2.4243 0.1236 0.8659 0.1115
Pro/Val/Asn/Phe 2.3100 0.0463 1.1622 0.0448
Pro/Val/Gln/Ala 1.8600 0.3894 1.0612 0.4027
PS(36:0) 1.3892 0.7656 0.9822 0.7333
PS(36:1) 1.2411 0.9787 0.9115 0.7884
PS(38:4) 0.9055 1.2067 0.8951 1.0241
Pseudoconhydrine 1.0802 0.8735 1.0939 0.9257
Pyrene 0.9462 0.9379 1.1181 1.0157
Pyridoxal 0.7689 1.1470 0.9951 1.1661
Pyridoxine 1.0366 0.9225 1.0928 0.9359
Pyridoxine 5^-phosphate 1.4611 0.6764 1.0228 0.6860
Quinaldic acid 0.4501 1.4770 0.5256 1.7307
quinocarcin 1.7195 0.4312 1.2409 0.3685
quinoline-4-carboxylate 0.4506 1.5275 0.4469 1.7582
Riboflavin 0.9420 1.1657 0.8727 1.0389
Roxatidine acetate 1.0185 0.8950 1.0456 1.0348
Sarcodon scabrosus Depsipeptide 1.0041 1.0620 0.9291 1.0034
Se-Adenosylselenohomocysteine NA 1.1584 0.3174 1.0691
Senecionine 1.5484 0.6889 0.8632 0.7166
Ser/His 1.6783 0.5077 1.1030 0.4849
Serine 1.0916 0.9994 0.9410 0.9374
Sesaminol glucosyl-(1->2)-[glucosyl-(1->6)]-glucoside 0.4861 1.2843 0.8363 1.5646
Slaframine 1.0092 0.9982 1.0022 0.9874
SM(d32:1) 0.9014 1.0411 0.9849 1.1055
SM(d36:1) 0.9438 1.1321 0.8945 1.0484
SM(d36:2) 0.8958 1.1274 0.9362 1.0753
SM(d40:1) 1.0588 1.0807 0.8599 0.9810
SM(d40:2) 0.9253 1.1197 0.9114 1.0685
SM(d41:1) 1.0812 1.1337 0.8622 0.8959
SM(d42:1) 1.1350 1.0976 0.8518 0.8706
SM(d42:2) 0.9707 1.0791 0.8708 1.0892
SM(d44:2) 1.0424 0.9581 0.8834 1.1020
sn-glycero-3-Phosphoethanolamine 0.8720 0.9833 1.2102 0.9772
Sphinganine 1-phosphate 1.1666 0.9225 0.9521 0.9032
Stearoylcarnitine 0.8533 1.0921 1.0708 1.0328
Swainsonine 0.9415 1.0388 1.0059 1.0333
Tenuazonic acid 1.0882 0.9277 1.0673 0.8873
Termitomycesphin A 1.2673 0.8573 0.9068 0.8796
Tetradecene 1.0650 1.2886 0.9989 0.6258
Tetraethylammonium 0.9791 1.0536 0.9607 1.0136
Tetraethylene glycol 0.9232 1.1902 1.0197 0.8924
TG(50:3) 1.7713 0.5632 0.8820 0.5263
TG(54:5) 1.3430 0.9014 0.9494 0.6918
TG(54:6) 1.3692 0.8746 0.9760 0.6571
TG(56:8) 1.2326 0.9802 1.0031 0.7066
Thiamine monophosphate 1.7058 0.4843 1.0913 0.4834
Thiamine pyrophosphate 1.8101 0.4984 0.8981 0.5234
thiazolidine-4-carboxylate 0.8072 1.2045 0.9514 1.1011
Thiomorpholine 3-carboxylate 1.1470 0.8186 1.2318 0.7536
Thr/Ala 0.9561 0.8782 1.0434 1.1370
Thr/Ala/Ser 1.2359 0.8077 1.0363 0.8415
Thr/Cys 0.9308 1.2218 0.9555 0.9150
"threo-2-Amino-3,4-dihydroxybutanoic acid" 1.2969 0.8300 0.9395 0.8347
Threonine 1.2462 0.8714 0.9744 0.8259
Thr/Gln 1.7341 0.5091 1.0108 0.5013
Thr/Gly 1.8037 0.3989 1.1542 0.3753
Thr/His 1.6313 0.6030 1.0580 0.4972
Thr/Lys 2.0184 0.3837 0.8285 0.4299
Thr/Pro/Glu/Glu 1.4739 NA 0.3682 NA
Thr/Pro/Pro 1.4766 0.6819 1.0578 0.6249
Thr/Pro/Thr 2.2175 0.0872 1.1279 0.1615
Thr/Thr/Thr 1.9593 0.3672 1.0052 0.3485
Thr/Thr/Thr/Thr 1.6785 0.4261 1.2022 0.4670
Thr/Trp/Cys 1.0931 0.8411 1.2202 0.8146
Thr/Val 2.0453 0.4033 0.7833 0.4197
tridecadienoic acid 1.1285 0.7821 1.5967 0.4499
Triethanolamine 0.8378 1.0939 1.0315 1.0908
triethylene glycol 0.8041 1.1656 1.0792 1.0163
Tritoqualine 1.0085 1.0968 0.8656 1.0263
Trp/Cys/Gly 0.8527 1.0834 0.8667 1.2462
Trp/Gln 1.2488 0.7520 1.1248 0.7914
Trp/Gly 1.3765 NA 0.4980 NA
Trp/Gly/Ser 1.2545 0.9266 1.0646 0.6695
Trp/Val 1.3979 0.6606 1.2095 0.5993
Tryptophan 1.2809 0.7637 1.2038 0.6579
Tyr/His 1.9175 0.0871 0.6816 0.0990
Tyr/Tyr 1.3761 0.6316 1.2907 0.5762
Uridine 5^-diphosphate 1.0415 1.0636 0.9594 0.9217
Val/Ala 1.1299 1.0223 0.9814 0.8231
Val/Arg 1.3985 0.6894 1.0008 0.7784
Val/Asp 1.4939 0.7240 0.8751 0.7424
Val/Asp/Asp 1.2246 NA 0.7005 NA
Val/Glu 1.4754 0.6662 1.0391 0.6607
Val/Gly 2.0938 0.2752 0.9624 0.3040
Val/Gly/Ala 1.4020 0.6859 1.0114 0.7667
Val/Gly/His 1.0092 0.6997 1.2995 0.9884
Val/Gly/Pro 2.0472 0.2126 1.1714 0.2197
Val/His 1.9480 0.4799 0.7983 0.4578
Valine 1.0129 0.9454 1.0551 0.9824
Val/Leu 1.6995 0.4498 1.1333 0.4842
Val/Leu/Gly/Ala 1.2987 NA 0.6017 NA
Val/Lys 2.3181 0.1214 0.9966 0.1246
Val/Pro 2.4002 0.3293 0.5203 0.2835
Val/Pro/His 1.2004 NA 0.7327 NA
Val/Pro/Pro 2.5471 0.1166 0.6922 0.1283
Val/Ser/Ser 1.1661 0.8815 1.0118 0.8852
Val/Val 2.3025 0.1828 0.8911 0.1894
Val/Val/Tyr/Pro 1.8700 0.4141 1.0243 0.4017
VIM-II(d42:1) 0.4525 1.3570 0.7320 1.6410
Vindoline 1.8744 0.2577 0.8347 0.2251
"xi-4,5-Dihydro-2,4(5)-dimethyl-1H-imidazole" 1.6094 0.5646 1.0089 0.6139
Run Hierarchial cluster analysis on this study | Run Heatmap cluster analysis on this study

Factors:

F1Treatment:DMSO
F2Treatment:KAE609_20x_IC50
F3Treatment:KAE609_5x_IC50
F4Treatment:WEHI-1888504
  logo