Data for (Study ST003362)

(Analysis AN005504)

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

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MetaboliteF1F2F3
(10E,12E)-9,14-Dihydroxy-10,12-octadecadienoic acid*,*9,10-DiHODE(None) 0.9702 NA 1.0298
10-Undecenoic acid(None) 1.0501 NA 0.9499
11-Nitro-1-undecene(13C_1) 1.2972 NA 0.9009
11-Nitro-1-undecene(None) 1.1470 NA 0.8530
1-[(1Z)-octadec-1-enyl]-sn-glycero-3-phosphoethanolamine(None) 0.8618 NA 1.1382
1,2-Dipalmitoleoyl-sn-glycero-3-phosphocholine(13C_1) 1.0000 NA NA
1,2-Dipalmitoleoyl-sn-glycero-3-phosphocholine(None) 0.9854 NA 1.0292
1-[(3a^R,6^S,6a^S)-4^,4^-Dimethylhexahydro-2^H-spiro[1,3-dioxolane-2,1^-pentalen]-6^-yl]ethanone(13C_3) 1.0548 NA 0.9452
1-[(3a^R,6^S,6a^S)-4^,4^-Dimethylhexahydro-2^H-spiro[1,3-dioxolane-2,1^-pentalen]-6^-yl]ethanone(None) 1.2272 NA 0.7728
1,3-Dicyclohexylurea(13C_1) 0.9834 NA 1.0664
1,3-Dicyclohexylurea(None) 0.9640 NA 1.0360
13S-hydroxyoctadecadienoic acid(13C_1) 0.7563 NA 1.7311
13S-hydroxyoctadecadienoic acid(13C_11) 0.6455 NA 1.7090
13S-hydroxyoctadecadienoic acid(None) 0.9968 NA 1.0032
1,5,7-Trimethyltetralin*,*1-Methyl-4-(1-methyl-2-propenyl)-benzene(13C_8) 1.5075 NA 0.4925
1,5,7-Trimethyltetralin*,*1-Methyl-4-(1-methyl-2-propenyl)-benzene(None) 1.1329 NA 0.8671
15-Crown-5(None) 0.9954 NA 1.0046
1-[(9Z)-hexadecenoyl]-sn-glycero-3-phosphocholine(None) 0.4814 NA 1.5186
1-[(9Z)-octadecenoyl]-2-tetradecanoyl-sn-glycero-3-phosphocholine(13C_1) 0.8295 NA 1.0852
1-[(9Z)-octadecenoyl]-2-tetradecanoyl-sn-glycero-3-phosphocholine(13C_2) 1.0733 NA 0.9267
1-[(9Z)-octadecenoyl]-2-tetradecanoyl-sn-glycero-3-phosphocholine(13C_3) NA NA 1.0000
1-[(9Z)-octadecenoyl]-2-tetradecanoyl-sn-glycero-3-phosphocholine(13C_4) 1.0292 NA 0.9562
1-[(9Z)-octadecenoyl]-2-tetradecanoyl-sn-glycero-3-phosphocholine(None) 1.0752 NA 0.8872
1-Aminocyclopropane-1-carboxylate*,*(Z)-dehydrobutyrine(13C_2) 1.0369 NA 0.9631
1-Aminocyclopropane-1-carboxylate*,*(Z)-dehydrobutyrine*,*1-Aminocyclopropane-1-carboxylate*,*(Z)-dehydrobutyrine(13C_4) 0.8398 NA 1.1602
1-Aminocyclopropane-1-carboxylate*,*(Z)-dehydrobutyrine(None) 1.1322 NA 0.8678
1-arachidonoyl-sn-glycero-3-phosphoethanolamine(None) 0.9686 NA 1.0314
1-Methyl-L-histidine/3-Methyl-L-histidine*,*1-Methyl-L-histidine/3-Methyl-L-histidine*,*3-Methyl-L-histidine(None) 1.1445 NA 0.5666
1-oleoyl phosphatidylethanolamine*,*1-Oleoyl-2-hydroxy-sn-glycero-3-PE(13C_1) 0.5826 NA 1.1043
1-oleoyl phosphatidylethanolamine*,*1-Oleoyl-2-hydroxy-sn-glycero-3-PE(None) 0.6948 NA 1.3052
1-Piperideine-2-carboxylate(13C_3) 1.0424 NA 0.9576
1-Piperideine-2-carboxylate(None) 0.8660 NA 1.1340
1-pyrroline(13C_1) 0.0381 NA 2.9239
1-pyrroline(13C_2) 0.7842 NA 1.2158
1-pyrroline(13C_3) 0.3446 NA 1.1638
1-pyrroline(13C_4) 0.8116 NA 1.1884
1-pyrroline(None) 1.0264 NA 0.9736
(1S,2R,5S)-2-Isopropyl-5-methylcyclohexyl 3-oxobutanoate(13C_8) 1.0224 NA 0.9776
(1S,2R,5S)-2-Isopropyl-5-methylcyclohexyl 3-oxobutanoate(None) 1.0233 NA 0.9767
1-Stearoyl-2-hydroxy-sn-glycero-3-PE(13C_1) 1.7026 NA 0.2974
1-Stearoyl-2-hydroxy-sn-glycero-3-PE(None) 0.7538 NA 1.2462
(1Z,5Z)-1,5-Cyclooctadiene(13C_1) NA NA 1.0000
(1Z,5Z)-1,5-Cyclooctadiene(None) 1.0923 NA 0.9077
2,3,4,5,6,7-Hexahydrocyclopent[b]azepin-8(1H)-one*,*Norephedrine(None) 0.6835 NA 1.2373
2,6-DIPHENYLPYRIDINE(None) 1.0484 NA 0.9516
2-Aminoacetophenone*,*1MVR(None) 1.0366 NA 0.9634
2-Aminoprop-2-enoate(13C_1) 1.0000 NA NA
2-Aminoprop-2-enoate(13C_2) 1.1533 NA 0.8467
2-Aminoprop-2-enoate(13C_3) 1.0808 NA 0.9192
2-Aminoprop-2-enoate(None) 1.2200 NA 0.7800
2-(Bromomethyl)-1,3-butadiene(13C_1) 1.0000 NA NA
2-(Bromomethyl)-1,3-butadiene(None) 0.9769 NA 1.0462
2-(Diethylamino)ethanol(None) NA NA 1.0000
(2E,4E,7E)-2,4,7-Decatrienoic acid*,*(2E,6E,8E)-2,6,8-Decatrienoic acid(None) 1.1095 NA 0.9270
(2E,4Z,7Z)-ethyl 2,4,7-decatrienoate(13C_1) 1.4769 NA 0.7616
(2E,4Z,7Z)-ethyl 2,4,7-decatrienoate(None) 0.9495 NA 1.0505
(2E,6E,8E)-2,6,8-Decatrienoic acid(13C_1) NA NA 1.0000
(2E,6E,8E)-2,6,8-Decatrienoic acid(None) 0.9149 NA 1.0851
2-Hexenoylcarnitine(13C_1) 0.6520 NA 1.6961
2-Hexenoylcarnitine(None) 0.9247 NA 1.0753
2-Hydroxy-2-methylbutyronitrile(None) 0.9557 NA 1.0443
2-Hydroxycinnamic acid(13C_3) 1.0060 NA 0.9940
2-Hydroxycinnamic acid(None) 1.1379 NA 0.8621
2-Isopropylmaleate*,*dimethyl itaconate*,*(1S,4S)-4-Hydroxy-3-oxocyclohexanecarboxylic acid(13C_1) 0.9725 NA 1.0275
2-Isopropylmaleate*,*dimethyl itaconate*,*(1S,4S)-4-Hydroxy-3-oxocyclohexanecarboxylic acid(None) 0.9796 NA 1.0204
2-Methyl-4-pyrimidinamine(13C_1) 0.8453 NA 1.1547
2-Methyl-4-pyrimidinamine(None) 0.8635 NA 1.1365
2-Methylthiazolidine(13C_1) 0.8715 NA 1.1285
2-Methylthiazolidine(None) 0.9101 NA 1.0899
2-Phenylethylamine(None) 1.0097 NA 0.9903
(2S,3R,4E,6E)-2-Amino-4,6-tetradecadiene-1,3-diol(13C_1) NA NA 1.0000
(2S,3R,4E,6E)-2-Amino-4,6-tetradecadiene-1,3-diol(None) 1.0005 NA 0.9995
(2Z,5Z)-11-Methyl-2,5-dodecadienoic acid*,*12-Tridecynoic acid*,*5-Methyl-2-octyl-3(2H)-furanone(13C_1) 1.0000 NA NA
(2Z,5Z)-11-Methyl-2,5-dodecadienoic acid*,*12-Tridecynoic acid*,*5-Methyl-2-octyl-3(2H)-furanone(13C_3) 1.4598 NA 0.5402
(2Z,5Z)-11-Methyl-2,5-dodecadienoic acid*,*12-Tridecynoic acid*,*5-Methyl-2-octyl-3(2H)-furanone(None) 0.9889 NA 1.0111
3-(1-Methyl-1H-pyrrol-2-yl)pyridine(13C_1) 1.0809 NA 0.9191
3-(1-Methyl-1H-pyrrol-2-yl)pyridine(None) 1.0199 NA 0.9801
3-({2-[2-(2-Hydroxyethoxy)ethoxy]ethoxy}methyl)heptanoic acid(13C_1) 0.7986 NA 1.2014
3-({2-[2-(2-Hydroxyethoxy)ethoxy]ethoxy}methyl)heptanoic acid(None) 0.9900 NA 1.0100
3-{[2-(2-Hydroxyethoxy)ethoxy]methyl}heptanoic acid(13C_1) NA NA 1.0000
3-{[2-(2-Hydroxyethoxy)ethoxy]methyl}heptanoic acid(None) 1.0025 NA 0.9975
3-[(2,6-Dimethylheptanoyl)oxy]-4-(trimethylammonio)butanoate(13C_1) 1.2825 NA 0.4349
3-[(2,6-Dimethylheptanoyl)oxy]-4-(trimethylammonio)butanoate(None) 0.8500 NA 1.1125
3-[(3-Hydroxypentadecanoyl)oxy]-4-(trimethylammonio)butanoate*,*3-[(3-Hydroxypentadecanoyl)oxy]-4-(trimethylammonio)butanoate(13C_1) 1.0512 NA 0.9488
3-[(3-Hydroxypentadecanoyl)oxy]-4-(trimethylammonio)butanoate(None) 1.1253 NA 0.8747
3,4-dehydrothiomorpholine-3-carboxylic acid(13C_1) 0.4343 NA 1.2828
3,4-dehydrothiomorpholine-3-carboxylic acid(None) 1.0922 NA 0.9078
3,7-Dimethyl-1,2,3-octanetriol(13C_1) 0.0927 NA 1.4537
3,7-Dimethyl-1,2,3-octanetriol(None) 0.9033 NA 1.0967
3-Aminobutanoic acid (BABA)*,*DL-2-Aminobutyric acid(None) 1.0000 NA NA
3-BHA(None) 1.8915 NA 0.5543
3-Dehydrosphinganine(None) 0.7792 NA 1.2208
3-Hydroxy-3-[(3-methylbutanoyl)oxy]-4-(trimethylammonio)butanoate(13C_1) 1.0000 NA NA
3-Hydroxy-3-[(3-methylbutanoyl)oxy]-4-(trimethylammonio)butanoate(None) 0.7921 NA 1.2079
3-Hydroxyindolin-2-one(None) 1.0475 NA 0.9525
3-Hydroxypyridine(None) 0.9630 NA 1.0370
3-Indoleacetamide(13C_1) 1.1660 NA 0.8340
3-Indoleacetamide(None) 1.0165 NA 0.9835
3-Isopropyl-2,5-piperazinedione(None) 0.9893 NA 1.0107
3-Methylsulfolene(None) 0.8958 NA 1.1042
3-oxopalmitic acid(None) 1.1372 NA 0.8628
3-Oxotetradecanoic acid(None) 1.0271 NA 0.9639
3-Phospho-D-glyceric acid(None) 0.9321 NA 1.0679
3-Phospho-hydroxypyruvate(13C_2) 1.2164 NA 0.7836
3-Phospho-hydroxypyruvate(None) 1.0077 NA 0.9923
(3S)-3-(Pentanoyloxy)-4-(trimethylammonio)butanoate(None) 0.8505 NA 1.1495
3-Thiomorpholinecarboxylic acid(13C_1) 0.0881 NA 1.4559
3-Thiomorpholinecarboxylic acid(None) 0.8116 NA 1.1884
3-Tropanol(13C_1) 1.2952 NA 0.8524
3-Tropanol(None) 1.6145 NA 0.3855
4-{(1R,2R)-3-Oxo-2-[(2Z)-2-penten-1-yl]cyclopentyl}butanoic acid(None) 1.0089 NA 0.9911
4^,7-dimethoxy-2,2,4-trimethyl-Delta(3)-isoflavan*,*Nafenopin(13C_1) NA NA 1.0000
4^,7-dimethoxy-2,2,4-trimethyl-Delta(3)-isoflavan*,*Nafenopin(None) 1.1117 NA 0.8883
4,7-Dioxooctanoic acid(13C_1) 1.0000 NA NA
4,7-Dioxooctanoic acid(None) 0.8622 NA 1.1033
4-Aminobutanoate*,*D,L-alpha-Aminoisobutyric acid(None) 1.5459 NA 0.4541
4-Guanidinobutyric acid(None) 0.9119 NA 1.0881
4-Isopropyl-3-methyleneoctahydro-2H-cyclohepta[b]furan-2-one(None) 0.9504 NA 1.0496
4-Methyl-5-thiazoleethanol(None) 1.0892 NA 0.9108
(4S)-4-{[(9Z)-3-Hydroxy-9-hexadecenoyl]oxy}-4-(trimethylammonio)butanoate(13C_1) 0.7065 NA 1.2201
(4S)-4-{[(9Z)-3-Hydroxy-9-hexadecenoyl]oxy}-4-(trimethylammonio)butanoate(None) 1.1645 NA 0.8355
5-ADP(None) 0.9938 NA 1.0062
5-Aminopentanoate*,*L-(+)-Valine(None) 0.9108 NA 1.0892
(5E)-7,7-Dimethyl-4-oxa-8-thia-2,5-diazanon-5-en-3-one(None) 0.9047 NA 1.0953
5-GDP*,*GDP(13C_1) 0.9004 NA 1.0498
5-GDP*,*GDP(None) 0.7623 NA 1.2377
5-guanidino-3-methyl-2-oxopentanoic acid(13C_3) 0.8569 NA 1.1073
5-guanidino-3-methyl-2-oxopentanoic acid(13C_4) 0.9028 NA 1.0972
5-guanidino-3-methyl-2-oxopentanoic acid(13C_5) 0.8780 NA 1.1220
5-guanidino-3-methyl-2-oxopentanoic acid(13C_6) NA NA 1.0000
5-guanidino-3-methyl-2-oxopentanoic acid(None) 1.0156 NA 0.9844
5-Isopropyl-3,4-dihydro-2H-pyrrole*,*Heptanonitril(None) 1.1418 NA 0.8582
5-Oxo-L-proline(13C_5) 0.6706 NA 1.3294
5-Oxo-L-proline(None) 0.9832 NA 1.0168
5^-S-Methyl-5^-thioadenosine(13C_1) 1.6674 NA 0.6663
5^-S-Methyl-5^-thioadenosine(None) 0.9626 NA 1.0374
(5Z,8Z)-11-Oxo-5,8-undecadienoic acid(13C_1) 1.0000 NA NA
(5Z,8Z)-11-Oxo-5,8-undecadienoic acid(None) 1.0826 NA 0.8898
6,9-Dioxodecanoic acid(None) 0.8909 NA 1.1454
(6a-Methoxyoctahydro-2H-pentaleno[1,6-bc]furan-4-yl)methanol(None) 1.0158 NA 0.9842
6-Methylnicotinamide(13C_1) 0.6687 NA 1.2208
6-Methylnicotinamide(None) 0.7085 NA 1.2915
(6Z,9S,10E,12Z)-9-Hydroxy-6,10,12-hexadecatrienoic acid*,*6-{(1R,2R)-3-Oxo-2-[(2Z)-2-penten-1-yl]cyclopentyl}hexanoic acid*,*Methyl 2-[(4aS,8R,8aR)-4a,8-dimethyl-7-oxodecahydro-2-naphthalenyl]propanoate(13C_3) 1.0051 NA 0.9949
(6Z,9S,10E,12Z)-9-Hydroxy-6,10,12-hexadecatrienoic acid*,*6-{(1R,2R)-3-Oxo-2-[(2Z)-2-penten-1-yl]cyclopentyl}hexanoic acid*,*Methyl 2-[(4aS,8R,8aR)-4a,8-dimethyl-7-oxodecahydro-2-naphthalenyl]propanoate(None) 1.2433 NA 0.7567
7-(1-Ethoxyethoxy)-4,10-dimethyl-3,5,9,11-tetraoxatridecane(13C_1) NA NA 1.0000
7-(1-Ethoxyethoxy)-4,10-dimethyl-3,5,9,11-tetraoxatridecane(None) 1.0324 NA 0.9676
7-Hydroxy-3a-methylhexahydro-1H-indene-1,4(2H)-dione(None) 1.2271 NA 0.8486
7-Methyl-2,6,9,12-tetraoxahexadecane(13C_1) 0.7979 NA 1.2695
7-Methyl-2,6,9,12-tetraoxahexadecane(None) 1.0151 NA 0.9849
7-Methylguanine(13C_1) 0.7549 NA 1.1838
7-Methylguanine(None) 0.8034 NA 1.1966
8-Methyl-8-azabicyclo[3.2.1]oct-3-yl acetate(13C_1) 0.1750 NA 1.4125
9,10-DiHODE(13C_11) 0.9635 NA 1.0365
9,17-dioxo-1,2,3,4,10,19-hexanorandrostan-5-oic acid(13C_1) 0.1633 NA 1.2789
9,17-dioxo-1,2,3,4,10,19-hexanorandrostan-5-oic acid(13C_3) NA NA 1.0000
9,17-dioxo-1,2,3,4,10,19-hexanorandrostan-5-oic acid(13C_6) 1.0187 NA 0.9625
9,17-dioxo-1,2,3,4,10,19-hexanorandrostan-5-oic acid(13C_7) 0.1971 NA 1.8029
9,17-dioxo-1,2,3,4,10,19-hexanorandrostan-5-oic acid(None) 1.0415 NA 0.9585
(9Z,12Z)-N-Hydroxy-9,12-octadecadienamide(None) 0.9758 NA 1.0242
(9Z)-9-Octadecenamide(None) 0.9339 NA 1.0661
Aceglutamide(13C_2) 0.7956 NA 1.4088
Aceglutamide(13C_3) 0.9373 NA 1.0470
Aceglutamide(13C_4) 0.3830 NA 1.3085
Aceglutamide(13C_5) 0.6865 NA 1.3135
Aceglutamide(13C_6) NA NA 1.0000
Aceglutamide(None) 0.9860 NA 1.0140
acetic acid geranyl ester(13C_1) 0.8308 NA 1.1692
acetic acid geranyl ester(None) 1.0065 NA 0.9935
Acetylcarnitine(13C_1) NA NA 1.0000
Acetylcarnitine(None) 1.0349 NA 0.9302
Acetylcholine(13C_1) 0.2417 NA 1.3792
Acetylcholine(None) 0.8244 NA 1.1756
Acetyl-L-carnitine(13C_1) 1.6002 NA 0.3998
Acetyl-L-carnitine(13C_2) 0.5955 NA 1.4045
Acetyl-L-carnitine(None) 0.7026 NA 1.2974
Acetyl-L-methionine(None) 1.0337 NA 0.9663
Adenine(13C_1) 0.8682 NA 1.1318
Adenine(None) 0.8626 NA 1.1374
Adenophostin B(None) 1.1879 NA 0.8121
Adenosine(None) 0.9292 NA 1.0708
ALA-GLU(13C_5) 0.1626 NA 1.2791
ALA-GLU(None) 1.1104 NA 0.8896
(+)-Allopumiliotoxin 267A(None) 1.0373 NA 0.9627
Am (2^-O-methyladenosine)*,*m1A (1-Methyladenosine)*,*m6A (1-Methyladenosine)*,*Am (2^-O-methyladenosine)*,*m1A (1-Methyladenosine)(13C_2) 0.8258 NA 1.1742
Am (2^-O-methyladenosine)*,*m1A (1-Methyladenosine)*,*m6A (1-Methyladenosine)*,*Am (2^-O-methyladenosine)*,*m1A (1-Methyladenosine)(None) 0.5121 NA 1.4879
arachidonoyl glycine*,*Arachidonoyl-N,N-dimethyl amide*,*arachidonoyl glycine*,*Arachidonoyl-N,N-dimethyl amide(13C_1) 0.8183 NA 1.2725
arachidonoyl glycine*,*Arachidonoyl-N,N-dimethyl amide*,*arachidonoyl glycine*,*Arachidonoyl-N,N-dimethyl amide(13C_4) 0.8779 NA 1.1628
arachidonoyl glycine*,*Arachidonoyl-N,N-dimethyl amide(None) 1.0994 NA 0.9006
Arginine(13C_1) 0.9244 NA 1.0756
Arginine(None) 0.9408 NA 1.0592
ascr#3(None) 1.0034 NA 0.9966
Asparagine(None) 0.7987 NA 1.2013
benalaxyl(None) 0.7090 NA 1.1455
Benzaldehyde(None) 1.1090 NA 0.8910
benzylidenemethylamine*,*Indoline(13C_1) 1.0000 NA NA
benzylidenemethylamine*,*Indoline(None) 0.8686 NA 1.1314
Bethanidine(None) 1.0904 NA 0.9096
Biphenyl(None) 0.9025 NA 1.0975
Butenylcarnitine(None) 0.8180 NA 1.2730
Butopyronoxyl(13C_8) 0.9604 NA 1.0528
Butopyronoxyl(None) 1.0603 NA 0.8794
Caprolactam(13C_2) 0.9147 NA 1.0853
Caprolactam(None) 0.9174 NA 1.0826
Carnosine(None) 0.8939 NA 1.1061
C (Cytidine)(None) 0.6345 NA 1.3655
Chloroquine(13C_1) 1.1129 NA 0.9153
Chloroquine(13C_4) 1.1817 NA 0.9092
Chloroquine(None) 0.9519 NA 1.0481
Choline(13C_1) 0.8564 NA 1.2872
Choline(13C_2) NA NA 1.0000
Choline(None) 0.7050 NA 1.2950
cis-Naphthalene dihydrodiol(13C_1) 0.8988 NA 1.3037
cis-Naphthalene dihydrodiol(None) 0.9196 NA 1.0804
CMP*,*5-CMP(13C_1) 0.1261 NA 1.4369
CMP*,*5-CMP(13C_3) NA NA 1.0000
CMP*,*5-CMP(None) 0.8382 NA 1.1618
Creatine(13C_1) 0.9133 NA 1.0867
Creatine(None) 0.9178 NA 1.0822
Creatinine(13C_1) 0.8090 NA 1.1910
Creatinine(None) 0.8301 NA 1.1699
Crotetamide*,*Cyclo(leucylleucine)(None) 0.8425 NA 1.1575
Cystathionine(13C_3) 1.0233 NA 0.9845
Cystathionine(None) 1.0534 NA 0.9466
Cysteine(13C_1) 1.0886 NA 0.9114
Cysteine(None) 1.0595 NA 0.9405
Cystine(13C_6) 1.0000 NA NA
Cystine(None) 1.3603 NA 0.8199
Cytidine(13C_5) 1.7334 NA 0.2666
Cytidine(None) 0.5508 NA 1.4492
Cytosine(13C_1) 0.4502 NA 1.5498
Cytosine(None) 0.6011 NA 1.3989
Decanamide(13C_1) NA NA 1.0000
Decanamide(None) 0.8045 NA 1.1955
Deoxyadenosine(13C_1) 1.0579 NA 0.9421
Deoxyadenosine(13C_3) 0.7208 NA 1.2094
Deoxyadenosine(None) 1.0828 NA 0.9172
D-(+)-Glucose(None) 0.8167 NA 1.1833
Diethyl (2-oxopropyl)malonate(13C_1) 0.1311 NA 1.4345
Diethyl (2-oxopropyl)malonate(13C_3) 0.9566 NA 1.0651
Diethyl (2-oxopropyl)malonate(None) 0.9024 NA 1.0976
Diethylamine(None) 0.9842 NA 1.0158
Diethylene glycol n-butyl ether(13C_1) NA NA 1.0000
Diethylene glycol n-butyl ether(None) 1.0502 NA 0.9498
Diethyl N-acetylglutamate(None) 1.1479 NA 0.8521
Diisodecyl phthalate(13C_3) 0.8986 NA 1.0761
Diisodecyl phthalate(None) 1.0721 NA 0.9279
Dimethyl sulfoxide(13C_1) 0.4660 NA 1.1335
Dimethyl sulfoxide(None) 0.3697 NA 1.6303
DL-2-Aminobutyric acid*,*L-alpha-Amino-n-butyric acid*,*DL-2-Aminobutyric acid(None) 1.0188 NA 0.9812
D,L-alpha-Aminoisobutyric acid(None) 1.1060 NA 0.8940
DL-Carnitine(13C_1) NA NA 1.0000
DL-Carnitine(None) 0.9367 NA 1.0633
D-Sphingosine(None) 1.2492 NA 0.7508
(E,E)-2,4-Heptadienal*,*trans,trans-2,4-Heptadienal(None) 0.9398 NA 1.0452
Elaeokanine C(13C_1) 0.8111 NA 1.2834
Elaeokanine C(None) 0.5864 NA 1.4136
epi-jasmonic acid(13C_1) NA NA 1.0000
epi-jasmonic acid(13C_3) 1.6279 NA 0.3721
epi-jasmonic acid(None) 0.9450 NA 1.0734
fosfocreatinine(None) 0.7776 NA 1.2224
Furaspor(None) 0.8883 NA 1.0745
gamma-Amino-n-butyric acid*,*L-alpha-Amino-n-butyric acid*,*3-Aminobutanoic acid (BABA)(None) 0.8110 NA 1.1890
Glutamine(13C_4) 0.9177 NA 1.0823
Glutamine(13C_5) 0.8816 NA 1.1184
Glutamine(None) 1.0691 NA 0.9309
Glycerol 5-hydroxydodecanoate(None) 0.4925 NA 1.3383
Glycerophosphocholine(None) 0.8032 NA 1.1968
Glycine(13C_1) 1.2062 NA 0.7938
Glycine(None) 1.0707 NA 0.9293
Gly-Phe(13C_1) 2.5346 NA 0.2327
Gly-Phe(None) 0.9215 NA 1.0785
Guanine(None) 0.7888 NA 1.1056
Guanosine(None) 0.6319 NA 1.3681
Guanosine triphosphate(13C_4) 0.5999 NA 1.4001
Guanosine triphosphate(13C_5) 0.6483 NA 1.1172
Guanosine triphosphate(None) 1.0523 NA 0.9477
Hexadecanamide(None) 0.9841 NA 1.0119
Hexanoylcarnitine(13C_2) NA NA 1.0000
Hexanoylcarnitine(None) 0.8197 NA 1.1803
Hexyl (3S)-3-hydroxy-5-methoxypentanoate(None) 1.0356 NA 0.9644
Hypoxanthine(13C_1) 0.3336 NA 1.6664
Hypoxanthine(None) 0.3587 NA 1.6413
Hypusine(13C_1) 1.0000 NA NA
Hypusine(None) 0.4501 NA 1.4125
ieodomycin A(None) 0.3847 NA 1.3077
Indole-3-acetaldehyde(None) 0.8105 NA 1.1895
indole-3-acetamide(None) 0.9090 NA 1.0910
indole-3-propionic acid(13C_1) 0.1533 NA 1.4234
indole-3-propionic acid(None) 0.8453 NA 1.1547
Inosine(13C_2) 1.1800 NA 0.7600
Inosine(None) 0.3051 NA 1.6949
Isoleucine(None) 0.8621 NA 1.1379
Isopropyl catechol(13C_1) 1.0000 NA NA
Isopropyl catechol(13C_2) 1.2012 NA 0.5976
Isopropyl catechol(None) 1.5843 NA 0.4157
Keto-L-rhamnulose(None) 0.7862 NA 1.2138
kynurenine(13C_8) 1.0000 NA NA
kynurenine(None) 0.9427 NA 1.0573
L-alpha-Amino-n-butyric acid(None) 0.9573 NA 1.0853
lentiginosine(None) 0.8015 NA 1.1985
Leucine(None) 0.8911 NA 1.1089
Leu-pro(None) NA NA 1.0000
Leu-Val(None) 0.2691 NA 1.3655
L-Glutamic acid(13C_1) 1.0194 NA 0.9806
L-Glutamic acid(13C_2) 0.9702 NA 1.0298
L-Glutamic acid(13C_3) 1.0361 NA 0.9639
L-Glutamic acid(13C_4) 0.8321 NA 1.1679
L-Glutamic acid(13C_5) 0.8309 NA 1.1691
L-Glutamic acid(None) 1.1442 NA 0.8558
Linoleamide(None) 1.0387 NA 0.9613
L-Methionine sulfoxide(None) 1.1826 NA 0.8174
L-Pipecolic acid(None) 0.8001 NA 1.1999
L-Saccharopine(13C_5) 0.6590 NA 1.3410
L-Saccharopine(None) 0.9960 NA 1.0040
Luciduline(None) 1.0636 NA 0.9364
Lumichrome(None) 0.9526 NA 1.0474
Lysine(None) 0.7760 NA 1.2240
Lysolecithin(13C_1) 0.5356 NA 1.1548
Lysolecithin(13C_2) NA NA 1.0000
Lysolecithin(None) 0.5748 NA 1.4252
Maraniol(13C_1) 0.5770 NA 1.4230
Maraniol(None) 0.9499 NA 1.0751
MDMA(13C_2) 1.0000 NA NA
MDMA(None) 1.0567 NA 0.9433
Methionine(13C_1) 0.0060 NA 1.9940
Methionine(None) 0.9332 NA 1.0668
Methyl (11E)-7-oxo-11-tetradecenoate(None) 0.9411 NA 1.0589
Methylimidazoleacetic acid(None) 1.1596 NA 0.8404
Methyl undec-10-enoate(None) 0.6800 NA 1.3200
Mono(2-ethylhexyl) phthalate (MEHP)(None) 1.0302 NA 0.9698
N-(11Z,14Z)-eicosadienoylethanolamine(None) 0.9529 NA 1.0471
N-{4-[(4R)-4-Methyl-6-oxo-1,4,5,6-tetrahydro-3-pyridazinyl]phenyl}acetamide(None) 0.9215 NA 1.0785
N-((4-AMINO-2-METHYL-5-PYRIMIDINYL)METHYL)FORMAMIDE(None) 0.8800 NA 1.1200
N6-Acetyl-L-lysine(None) 1.0000 NA NA
N6,N6,N6-Trimethyl-L-lysine(None) 0.6866 NA 1.3134
N8-Acetylspermidine(13C_2) 0.1297 NA 1.8703
N8-Acetylspermidine(None) 0.1659 NA 1.8341
N-Acetylputrescine(13C_2) 0.7443 NA 1.2557
N-Acetylputrescine(None) 0.9373 NA 1.0627
N-Boc-L-leucine Methyl Ester(13C_1) 0.6659 NA 1.6682
N-Boc-L-leucine Methyl Ester(None) 0.9621 NA 1.0379
Nicotinamide adenine dinucleotide (NAD)(13C_1) 0.5147 NA 1.2426
Nicotinamide adenine dinucleotide (NAD)(None) 0.9306 NA 1.0694
Nicotinamide(None) 0.8638 NA 1.1362
Nicotinic acid(None) 0.9576 NA 1.0424
NITROSOMORPHOLINE(13C_1) 0.4105 NA 1.5895
NITROSOMORPHOLINE(None) 0.9030 NA 1.0970
N-Methylpyrrolidone(None) 0.9997 NA 1.0003
N,N-Dimethylarginine*,*N3,N4-Dimethyl-L-arginine(None) 0.8810 NA 1.1190
N-Nonanoylglycine(13C_1) 1.5727 NA 0.4273
N-Nonanoylglycine(None) 0.7750 NA 1.2250
N-Oleoyl-L-Serine*,*O-(2-tetradecenoyl)carnitine*,*trans-2-Tetradecenoylcarnitine*,*N-Oleoyl-L-Serine*,*O-(2-tetradecenoyl)carnitine*,*trans-2-Tetradecenoylcarnitine(13C_8) 1.0776 NA 0.9224
N-Oleoyl-L-Serine*,*O-(2-tetradecenoyl)carnitine*,*trans-2-Tetradecenoylcarnitine*,*N-Oleoyl-L-Serine*,*O-(2-tetradecenoyl)carnitine*,*trans-2-Tetradecenoylcarnitine(13C_9) 1.0000 NA NA
N-Oleoyl-L-Serine*,*O-(2-tetradecenoyl)carnitine*,*trans-2-Tetradecenoylcarnitine(None) 1.0955 NA 0.9045
Nootkatone(13C_11) 1.0415 NA 0.9792
Nootkatone(None) 0.6759 NA 1.3241
N-Propyldodecanamide(None) 0.8555 NA 1.2891
NPYR(None) 0.7997 NA 1.2003
N-(tert-Butoxycarbonyl)-L-leucine(13C_2) 0.5270 NA 1.4730
N-(tert-Butoxycarbonyl)-L-leucine(13C_3) 0.4494 NA 1.2753
N-(tert-Butoxycarbonyl)-L-leucine(13C_4) 0.3568 NA 1.6432
N-(tert-Butoxycarbonyl)-L-leucine(None) 0.7702 NA 1.2298
N-Undecanoylglycine(13C_1) 0.5015 NA 1.4985
N-Undecanoylglycine(None) 0.6227 NA 1.3773
nylon cyclic dimer(None) 1.0741 NA 0.9259
O-(17-carboxyheptadecanoyl)carnitine(None) 1.0483 NA 0.9517
Oleate(13C_1) 1.2593 NA 0.8271
Oleate(13C_3) 1.2367 NA 0.7633
Oleate(None) 1.0893 NA 0.9107
Ornithine(13C_5) 0.8775 NA 1.1225
Ornithine(None) 0.9899 NA 1.0101
Palmitoleate(13C_1) 1.7275 NA 0.5150
Palmitoleate(None) 1.0272 NA 0.9728
Pantothenate(None) 0.8964 NA 1.1036
PEG-4(13C_1) 1.0141 NA 0.9859
PEG-4(None) 0.8777 NA 1.1223
phe-asn(None) 1.0009 NA 0.9981
Phenylalanine(13C_1) 0.4869 NA 1.3420
Phenylalanine(None) 0.9024 NA 1.0976
Platelet-activating factor(13C_1) NA NA 1.0000
Platelet-activating factor(None) 0.7589 NA 1.2411
Proline(13C_2) NA NA 1.0000
Proline(13C_3) 0.9068 NA 1.0932
Proline(13C_4) 0.7847 NA 1.2153
Proline(13C_5) 0.8069 NA 1.1931
Proline(None) 1.0429 NA 0.9571
Propionylcarnitine(13C_3) 0.9430 NA 1.0570
Propionylcarnitine(None) 1.0791 NA 0.9209
(+)-Prosopinine(13C_1) NA NA 1.0000
(+)-Prosopinine(13C_18) 0.9933 NA 1.0134
(+)-Prosopinine(13C_8) 1.0427 NA 0.9146
(+)-Prosopinine(None) 0.9335 NA 1.1331
Putrescine(13C_1) 1.0325 NA 0.9675
Putrescine(13C_4) 1.0151 NA 0.9849
Putrescine(None) 1.0327 NA 0.9673
Pyridoxal(13C_1) 1.0000 NA NA
Pyridoxal(None) 0.9610 NA 1.0390
Pyridoxine(None) 0.8889 NA 1.1111
Reduced glutathione(13C_1) NA NA 1.0000
Reduced glutathione(13C_3) 0.7220 NA 1.1390
Reduced glutathione(13C_4) 0.4688 NA 1.3984
Reduced glutathione(13C_5) 0.6852 NA 1.3148
Reduced glutathione(None) 1.2167 NA 0.7833
Riboflavin(13C_6) 1.1606 NA 0.9197
Riboflavin(None) 0.9493 NA 1.0507
(S)-2-Amino-6-oxohexanoate(None) 0.8814 NA 1.1186
S-Adenosylmethionine(13C_1) 1.1215 NA 0.7571
S-Adenosylmethionine(13C_2) NA NA 1.0000
S-Adenosylmethionine(None) 0.8509 NA 1.1491
senkyunolide B(None) 0.8894 NA 1.1106
Serine(None) 0.9174 NA 1.0826
S-(Hydroxyphenylacetothiohydroximoyl)-L-cysteine(None) 1.7115 NA 0.2885
Spermidine(None) 1.1395 NA 0.8605
Spermine(None) 1.0446 NA 0.9554
Sphinganine (d17:0)(None) 1.0176 NA 0.9648
syringol(13C_3) 1.5984 NA 0.7008
syringol(None) 0.7911 NA 1.2089
Temozolomide(None) 1.1816 NA 0.8184
Thiamine(None) 1.0347 NA 0.9653
trans-Cinnamate(13C_3) 1.8856 NA 0.1144
trans-Cinnamate(None) 0.8900 NA 1.1100
trans-geranic acid(13C_1) 1.0000 NA NA
trans-geranic acid(None) 0.9115 NA 1.0885
Traumatin(13C_1) 1.0801 NA 0.9600
Traumatin(13C_3) 0.9470 NA 1.0530
Traumatin(None) 1.0449 NA 0.9551
Tributyl citrate(None) 0.9486 NA 1.0514
(Triethoxymethoxy)ethane*,*Tripropylene glycol(13C_1) 1.6012 NA 0.5992
(Triethoxymethoxy)ethane*,*Tripropylene glycol(None) 0.9922 NA 1.0078
Tryptophan(13C_1) NA NA 1.0000
Tryptophan(None) 0.9082 NA 1.0918
Tyrosine(13C_1) NA NA 1.0000
Tyrosine(13C_8) 0.8291 NA 1.1282
Tyrosine(None) 1.1491 NA 0.8509
UDP-N-acetyl-alpha-D-glucosamine(13C_1) 0.0370 NA 1.2407
UDP-N-acetyl-alpha-D-glucosamine(13C_3) NA NA 1.0000
UDP-N-acetyl-alpha-D-glucosamine(None) 1.0472 NA 0.9528
Urea(None) 1.0188 NA 0.9812
Valeraldehyde, 2-methylene-, isopropylhydrazone(13C_1) 1.0000 NA NA
Valeraldehyde, 2-methylene-, isopropylhydrazone(None) 1.0163 NA 0.9837
Val-lys(13C_1) 0.3131 NA 1.6869
Val-lys(None) 0.7984 NA 1.2016
Valyl-4-hydroxyproline(13C_1) 1.0000 NA NA
Valyl-4-hydroxyproline(13C_10) 0.5895 NA 1.4105
Valyl-4-hydroxyproline(13C_3) 1.0398 NA 0.9801
Valyl-4-hydroxyproline(13C_5) 0.9455 NA 1.0545
Valyl-4-hydroxyproline(None) 1.0351 NA 0.9649
Valylproline(13C_1) 1.2610 NA 0.8260
Valylproline(None) 0.9790 NA 1.0210
Run Hierarchial cluster analysis on this study | Run Heatmap cluster analysis on this study

Factors:

F1Treatment:Control
F2Treatment:NA
F3Treatment:Pimozide
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