Data for (Study ST001874)

(Analysis AN003036)

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

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MetaboliteF1F2F3F4F5F6F7F8F9
1,3-Diphenylguanidine 1.7424 1.8031 1.7867 0.0115 0.0201 0.0090 0.4565 0.4522 0.5818
17beta-Trenbolone 0.1297 0.2602 0.2590 0.1819 NA 0.1571 1.8784 1.2938 1.9405
18:1(2S-OH) Ceramide 0.1649 0.1359 0.1331 3.0767 3.1898 1.9919 0.0951 0.0702 0.1424
1-AMINOCYCLOPROPANE-1-CARBOXYLIC ACID 0.5870 0.6200 0.5484 2.4509 2.4391 1.2753 0.3389 0.3628 0.3775
1-Dodecyl-2-pyrrolidinone 1.1048 1.1124 1.1232 0.0007 NA 0.0015 1.0907 1.0385 1.0299
1-heptadecanoyl-2-hydroxy-sn-glycero-3-phosphocholine 2.8245 1.2848 1.2213 0.9222 0.8345 0.3671 0.0009 0.0007 0.0006
1H-indole-3-carboxylic acid 0.0538 0.0403 0.0350 0.0037 0.0031 0.0051 2.1425 2.1494 2.0770
1-Methyladenosine 1.9752 2.0203 2.0686 0.0605 0.0446 0.0584 0.6540 0.8285 0.8192
1-Methylnicotinamide 0.0161 0.0075 0.0038 0.0008 0.0009 0.0372 2.6334 2.7073 2.6025
1-palmitoyl-2-hydroxy-sn-glycero-3-phosphoethanolamine 0.4901 0.4876 0.4138 2.5221 2.3918 1.2712 0.0033 0.0147 0.0095
1-pentadecanoyl-2-hydroxy-sn-glycero-3-phosphocholine 2.0032 2.1372 2.1380 0.0943 0.0967 0.0609 0.0002 0.0001 0.0000
1-Stearoyl-sn-glycero-3-phosphocholine 1.1158 1.2246 1.1663 2.2453 2.2171 1.0297 0.0006 0.0003 0.0003
2,2^-(Tetradecylimino)diethanol 0.4444 0.3448 0.3543 0.4202 3.0343 2.3807 1.3167 0.8143 0.1203
[2,3-di(heptadecanoyloxy)propyl] 2-(trimethylazaniumyl)ethyl phosphate 0.0736 0.2082 0.3260 3.3921 3.1272 1.5392 0.0003 0.0001 0.0001
2,8-Quinolinediol 0.8789 0.8801 0.3595 NA 0.2707 0.2860 1.4261 1.1883 1.3255
2,8-Quinolinediol; AIF; CE30; CorrDec 0.1481 0.1721 0.1211 0.1483 0.2749 0.1635 2.3763 2.8964 1.7042
2-acetoxy-4-pentadecylbenzoic acid 0.6861 0.7230 0.7363 0.6245 0.5236 0.2121 1.8238 1.7897 1.8808
2-Acetylpyrazine 0.8314 1.0336 2.2557 0.1643 0.3478 2.8613 0.4070 0.3667 0.7322
2-Aminoacetophenone 0.9248 1.3861 1.2283 0.3491 0.5156 0.5746 1.6240 1.3661 0.8423
2-Aminocaprylic acid; AIF; CE10; MS2Dec 0.8279 0.7678 0.8431 0.0906 0.0826 0.0810 1.9682 1.9282 1.9510
2-Aminocaprylic acid; LC-tDDA; CE30 0.8700 0.9248 0.8853 0.0692 0.0652 0.0649 1.7322 2.0266 2.0501
2-Aminoethanethiol 0.0117 0.0141 0.0172 NA NA NA 1.2498 1.6139 1.6161
2-Benzoxazolinone 0.0912 0.0752 0.0723 0.0099 0.0016 NA 1.8754 2.2101 2.1723
2-ETHYL-3-HYDROXY-4H-PYRAN-4-ONE 0.1095 0.1030 0.1655 NA 0.0733 0.0527 4.4112 0.9648 0.8672
2-Furoylglycine 0.1143 0.1348 0.1621 NA 0.0030 NA 1.9226 1.8883 1.9440
2-Hydroxybenzonitrile 0.9798 0.8007 0.3449 NA 0.3627 0.0513 1.8809 0.5954 1.7195
2-Hydroxycinnamic acid, predominantly trans 1.1921 1.1593 1.1877 1.4997 1.5511 0.7828 0.5515 0.5145 0.5612
2-Hydroxyisobutyric acid 0.0867 0.1945 0.0786 0.0098 0.1268 0.0222 2.6209 1.9467 1.8527
2-Hydroxyquinoline 0.7019 0.8562 0.8074 0.7034 0.7086 0.6228 1.4930 1.4499 1.4683
2-Methylpyrrolidine 0.1505 0.1377 0.1566 0.1874 0.2811 0.1579 2.6530 2.6824 2.5934
2-Naphthylamine 1.5845 1.4935 1.2406 0.1692 NA NA 0.7119 0.4819 0.7647
2-O-Methyladenosine 0.2174 0.2999 0.4074 1.1077 0.9676 1.0014 2.0316 1.1081 1.8599
2-Oxindole 0.1061 0.0498 0.1225 0.0419 0.0513 0.0332 2.7284 2.7117 2.5136
2-Oxindole; LC-tDDA; CE20 0.6517 0.7073 0.7547 0.0013 0.0089 0.0043 1.5925 1.4982 1.6262
2-Oxindole; LC-tDDA; CE30 0.0004 0.0004 0.0006 0.0009 0.0002 NA 1.9322 1.8696 1.8637
2-PHENYLACETAMIDE 0.1111 0.1759 0.1937 3.3491 3.1364 1.5533 0.1655 0.1981 0.1168
2-Piperidone 0.5181 0.5999 0.6638 0.0480 0.0423 0.0415 2.4245 2.3575 2.3045
2-Pyrrolidinone; AIF; CE10; CorrDec 0.9500 1.3429 1.2662 0.1026 0.2346 0.1188 2.5400 1.1834 1.2614
2-Pyrrolidinone; AIF; CE30; MS2Dec 0.1865 0.1915 0.1891 0.0351 0.0286 0.0174 2.7919 2.7396 2.8202
2-((R)-4-((3R,5R,6S,7R,8S,9S,10R,13R,14S,17R)-3,6,7-trihydroxy-10,13-dimethylhexadecahydro-1H-cyclopenta[a]phenanthren-17-yl)pent-2-enamido)ethane-1-sulfonic acid 0.0525 0.6118 NA 1.1079 1.8939 1.3437 0.7198 NA 0.3776
2-((R)-4-((3R,5S,7S,8R,9S,10S,12R,13R,14S,17R)-3,7,12-trihydroxy-10,13-dimethylhexadecahydro-1H-cyclopenta[a]phenanthren-17-yl)pentanamido)ethane-1-sulfonic acid 0.1272 0.0039 0.1969 1.3460 2.0251 1.1079 NA 0.1677 0.0058
(2S,3S,4S,5R,6R)-6-[[(3S,4S,6aR,6bS,8aR,9R,12aS,14bR)-9-hydroxy-4-(hydroxymethyl)-4,6a,6b,8a,11,11,14b-heptamethyl-1,2,3,4a,5,6,7,8,9,10,12,12a,14,14a-tetradecahydropicen-3-yl]oxy]-5-[(2S,3R,4S,5R,6R)-4,5-dihydroxy-6-(hydroxymethyl)-3-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-2-yl]oxy-3,4-dihydroxyoxane-2-carboxylic acid 0.1427 NA 0.5527 1.2057 1.8427 0.9661 0.3445 0.0234 0.1865
(2S,3S,4S,5R,6S)-3,4,5-trihydroxy-6-(5-hydroxy-4-oxo-2-phenylchromen-7-yl)oxyoxane-2-carboxylic acid NA NA 0.0024 NA NA NA 0.8326 1.3055 1.3606
3-Aminophenol; LC-tDDA; CE10 2.3004 2.8493 3.1295 0.0199 0.0077 0.0269 0.1844 0.1709 0.1457
3-AMINOSALICYLIC ACID 0.6698 0.8246 0.6965 0.0156 0.0974 NA 1.0843 1.2411 1.9622
3-Formylindole 0.9647 1.0715 1.1064 0.9575 0.9925 0.6976 0.9053 1.0714 1.1323
3?-Hydroxy-12 Ketolithocholic Acid 1.6892 2.2539 2.2681 0.1452 0.1698 0.1497 0.7133 0.7077 0.9030
3-HYDROXY-2-METHYL-4-PYRONE 0.2895 0.1295 0.2497 2.7895 2.8321 1.7796 0.3129 0.5217 0.4853
3?-Hydroxy-7 Ketolithocholic Acid 0.7878 0.7442 0.6292 NA 0.0304 0.0515 1.8691 1.7733 1.4751
3-Hydroxyanthranilic acid 0.0104 0.0175 0.0173 NA NA NA 1.4019 1.6349 1.6068
3-HYDROXYINDOLE 0.0180 0.0030 0.0058 NA NA NA 1.5847 1.5108 1.5548
3-Ketocholanic Acid 1.6829 1.0562 1.6169 0.0378 NA 0.1969 0.1561 0.2544 0.6005
3-Methyl-L-histidine 0.0815 0.0876 0.0699 0.0002 0.0004 0.0016 2.6418 2.5860 2.5319
4,6-Di-tert-butyl-m-cresol 1.0102 1.1716 1.4557 0.0301 0.0684 0.0677 1.1755 1.3792 1.0694
4-Acetamidobutanoic acid; LC-tDDA; CE30 0.1204 0.1244 0.1189 0.0143 0.0146 0.0066 2.8359 2.8062 2.7931
4-AMINOBENZOIC ACID 0.6258 0.4030 0.6252 0.1023 0.0832 0.1221 2.5032 0.9349 2.0083
4-aminobutyric acid betaine 1.6193 1.5070 1.6843 0.7619 0.8467 0.6147 0.6591 0.6303 0.6768
4-Aminohippuric acid; AIF; CE30; MS2Dec 0.0088 0.0103 0.0110 0.0004 0.0005 0.0006 2.1640 2.5403 2.5983
4-aminovaleric acid betaine 1.4057 1.2440 1.2199 0.5376 0.3003 0.1674 1.2685 1.1408 1.2994
4-Cholesten-3-one 1.6341 1.8205 1.8499 0.6453 0.7037 0.7267 0.4641 0.6612 0.4945
4-(Dimethylamino)phenylthiocyanate 1.5228 1.9204 1.7027 0.7802 0.7090 0.6794 0.6905 0.2631 0.5716
4-GUANIDINOBUTANOIC ACID 0.0030 0.0030 0.0025 0.1391 0.1422 0.0722 2.7495 2.8319 2.7473
4-Hexylresorcinol 0.9880 0.9031 1.0598 0.6426 0.7940 0.5088 2.2140 0.9709 0.9188
4-Hydroxy-6-methyl-2-pyrone 0.0345 0.0358 0.0405 0.0447 0.0437 0.0230 3.2539 3.6776 1.5207
4-Hydroxybenzoylcholine 0.9803 0.9575 0.9726 0.9237 1.1642 0.7210 0.9024 1.1304 1.2479
4-Hydroxyhippuric acid 0.3521 0.3341 0.3869 0.0340 0.0193 NA 1.9131 1.8145 1.8506
4-Hydroxyquinoline 0.1010 0.1298 0.0577 0.3730 0.5349 0.2415 2.3653 2.6044 2.5924
4-Methyl-5-thiazoleethanol 0.0234 0.0186 0.0211 0.5576 0.6019 0.2316 2.5371 2.4415 2.5672
4-Nonylphenol 0.4809 0.6818 1.5451 NA NA NA 1.7158 0.6462 0.9303
4-PYRIDOXIC ACID 0.4024 0.4288 0.3938 0.0153 0.0121 0.0158 2.4731 2.4758 2.4548
4-QUINOLINECARBOXYLIC ACID 0.0287 0.0331 0.0155 2.7549 2.7764 1.9289 0.3799 0.3279 0.4201
(4R)-4-((3R,5R,6S,7R,9S,10R,13R,14S,17R)-3,6,7-trihydroxy-10,13-dimethylhexadecahydro-1H-cyclopenta[a]phenanthren-17-yl)pentanoic acid NA 0.4704 0.4581 0.9527 2.8414 0.9046 0.7226 1.0752 0.6179
(4R)-4-((3R,5S,6S,7R,8R,9S,10R,12S,13R,17R)-3,6,7,12-tetrahydroxy-10,13-dimethylhexadecahydro-1H-cyclopenta[a]phenanthren-17-yl)pentanoic acid 0.0144 0.3961 0.4435 1.2139 2.3004 1.0761 0.3322 NA NA
(4R)-4-((3R,5S,7S,8R,9S,10S,12R,13R,17R)-3,7,12-trihydroxy-10,13-dimethylhexadecahydro-1H-cyclopenta[a]phenanthren-17-yl)pentanoic acid 0.1858 0.0147 0.0189 2.0038 1.6217 0.3004 NA NA 0.1504
(4R)-4-((3S,5S,7S,9S,10S,13R,14S,17R)-3,7-dihydroxy-10,13-dimethyl-12-oxohexadecahydro-1H-cyclopenta[a]phenanthren-17-yl)pentanoic acid 0.9561 1.0467 2.0885 0.2465 0.3685 0.2837 0.7761 0.8293 0.7792
5,6-Benzoflavone 0.2016 0.1362 0.1080 2.3384 2.3282 1.7702 0.1525 0.1096 0.0506
5-Aminovaleric acid 2.4603 2.4715 2.4458 0.3568 0.3987 0.3990 0.1543 0.1543 0.1593
5?-CHOLANIC ACID-3?_ 6?_7?-TRIOL 0.9958 0.9175 0.6952 0.6158 NA 0.0112 1.9084 0.9293 0.7578
5-HYDROXYINDOLE 0.4077 0.7736 1.0069 0.2119 0.4474 0.0090 1.6235 1.6250 0.9451
5-HYDROXYINDOLEACETATE 0.1724 0.4636 0.2807 0.0922 NA 0.0157 1.7289 1.6087 1.5745
5-Hydroxyindoleacetic acid 0.8648 0.9582 0.9491 0.3356 0.3466 0.3755 1.6299 1.6072 1.6209
5-Hydroxyindoleacetic acid; LC-tDDA; CE10 0.0437 0.0633 0.0743 0.1824 0.2585 0.3344 2.3070 2.7742 2.6295
5-OHMe-Ur 0.1859 0.1791 0.2015 0.0173 0.0203 0.0137 2.7209 2.6050 2.5631
5-OXO-D-PROLINE 0.0082 0.0108 0.0117 0.0062 0.0326 0.0318 2.9051 2.8943 2.9344
5-OXO-L-PROLINE 0.0186 0.0219 0.0229 0.0543 0.0608 0.0482 3.6299 3.5467 1.5966
5-S-Methylthioadenosine; LC-tDDA; CE10 0.0551 0.0300 0.0336 1.2173 2.1825 0.8104 3.1211 0.7527 0.7026
5-S-Methylthioadenosine; LC-tDDA; CE30 0.1480 0.1554 0.1692 0.9532 0.8254 0.7451 1.7212 2.0534 2.1442
5-S-Methylthioadenosine; LC-tDDA; CE40 0.1247 0.1116 0.1677 0.9477 0.9388 0.7430 1.7131 2.0422 2.1255
5-VALEROLACTONE 1.8340 1.7534 1.3934 0.5215 0.2710 0.3118 0.7832 0.7052 0.9609
6-Ethoxy-2,3,4-trimethyl-1,2,3,4-tetrahydroquinoline 0.5538 0.8947 0.9511 NA NA NA 1.4876 1.0646 1.0483
6-(gamma,gamma-Dimethylallylamino)purine riboside 0.0958 0.0814 0.0828 0.3348 0.3140 0.1966 4.2615 1.3521 1.2741
7-Diethylamino-4-methylcoumarin 0.6356 1.4489 1.2440 0.5396 0.7576 0.0156 1.4056 0.4086 0.6265
7-Oxocholesterol 0.5640 0.5818 0.5387 2.6595 2.7008 1.5223 0.1432 0.1496 0.1400
8-Hydroxyquinoline 0.6321 0.4926 0.5660 0.1605 0.1600 0.2799 1.6448 1.7100 1.9497
(8S,9S,10R,11S,13S,14S,17R)-11,17-dihydroxy-17-(2-hydroxyacetyl)-10,13-dimethyl-2,6,7,8,9,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthren-3-one 0.1269 0.1122 0.2295 NA NA NA 1.9709 1.4914 1.7952
9-OH-Risperidone 1.6473 1.8496 1.8158 0.0012 NA NA 0.3613 0.3148 0.3443
Acetaminophen 2.5498 3.0056 3.0831 0.0015 0.0020 0.0014 0.0045 0.0121 0.0071
ACETYL-CARNITINE 2.5235 2.4460 2.3898 0.3693 0.3694 0.3885 0.0708 0.0674 0.0695
Acetyl tributyl citrate 0.1886 0.1826 0.1920 4.4475 3.1224 0.7337 0.0457 0.0466 0.0409
ACRYLAMIDE 0.0810 0.1162 0.0981 2.3584 2.6756 1.6503 0.1813 0.3174 0.5701
Adenine 0.2523 0.2225 0.2620 0.0752 0.0707 0.2497 2.6252 2.6996 2.5427
Adenosine 0.0257 0.0222 0.0231 2.3304 2.3608 1.2938 1.0188 0.9813 0.9929
Adenosine monophosphate (AMP) NA 0.0904 0.0114 2.1706 2.2582 1.1313 0.1718 0.1819 0.1433
Adipoyl-carnitine; LC-tDDA; CE20 0.0271 0.0319 0.0375 0.0016 0.0024 0.0011 3.7016 1.7510 2.9465
Adipoyl-carnitine; LC-tDDA; CE30 2.6349 2.7217 2.5846 0.0009 0.0115 0.0038 0.1821 0.2081 0.1542
Adipoyl-carnitine; LC-tDDA; CE40 0.0106 0.0151 0.0217 0.0008 0.0008 0.0001 2.8089 2.0338 1.9426
Ala-Leu 0.4860 0.4196 0.4715 0.0886 0.1834 0.0365 2.6420 2.6208 1.5699
Alanine betaine 0.3605 0.5084 0.4344 0.0514 0.0620 0.3473 2.3668 2.4350 2.4342
Alanyl-Leucine; AIF; CE10; MS2Dec 0.3701 0.3441 0.3635 0.5438 0.6067 0.7102 1.8027 1.8464 2.2676
Alliin; LC-tDDA; CE20 0.0233 0.0229 0.0210 0.0010 0.0012 NA 2.1327 2.1370 2.1626
Aloe-emodin 1.0496 0.9821 0.9684 NA NA NA NA NA NA
alpha-Hederin 0.0208 0.0245 0.0205 3.0987 2.8268 1.9941 0.0094 0.0104 0.0132
ALPHA-N-ACETYL-GLUTAMINE 0.2879 0.2663 0.1926 0.3101 0.2613 0.3049 2.3659 2.0892 2.4557
alpha-TOCHOPHERYL ACETATE 0.3662 0.2456 0.1777 0.3531 0.7496 2.3823 1.0899 1.5854 1.6683
AM580 1.1903 1.1731 1.1665 NA 0.0645 0.5398 0.9283 0.6338 0.8424
Amphetamine 0.2121 0.2299 0.2207 2.5698 2.6887 2.6241 0.3677 0.3656 0.5334
Androsterone 1.5863 1.7034 1.7459 0.0513 0.0798 0.0685 1.2342 1.2650 1.2656
Aniline; AIF; CE30; CorrDec 1.0044 1.1059 1.2710 0.6051 0.6969 0.2292 1.3015 1.4831 1.3030
Anthranilic acid 0.4974 0.9341 0.5748 0.0996 0.3034 0.1962 1.2084 2.0072 2.0124
Arachidonoyl-carnitine; LC-tDDA; CE20 2.3191 2.3632 2.5124 0.4451 0.3791 0.2872 0.1130 0.0563 0.1682
Arachidonoyl-carnitine; LC-tDDA; CE40 1.6328 0.9544 1.0249 2.0141 1.2783 0.9992 0.5145 0.3190 0.2627
Aspartate 0.0628 0.0398 0.0509 3.0147 3.4780 1.9665 0.0682 0.0790 0.0800
ASP-PHE 0.0244 0.0191 0.0273 0.0062 0.0039 0.0011 2.4696 2.8408 2.9418
Assymetrical dimethylarginine 0.1381 0.1267 0.1484 0.0030 0.0041 0.0087 2.7896 2.6601 2.6256
ATENOLOL 1.7922 2.0143 2.0883 NA NA NA 0.0224 0.0376 0.0452
Atenolol acid 2.0068 2.1426 2.1936 0.0073 0.0064 0.0059 0.1189 0.0550 0.1453
Atrazine-Desisopropyl 0.5130 0.7358 0.6963 0.7626 0.8907 0.6458 1.4148 1.5753 1.6476
Benzoylcholine 1.5355 1.4336 1.4888 0.0415 0.0476 0.1252 1.4388 1.4628 1.4261
Benzoylecgonine 1.8552 2.1929 2.3899 0.0005 0.0011 NA 0.0153 0.0241 0.0222
Betaine 1.3722 1.8308 1.2961 1.2088 1.5918 1.2005 0.1271 0.2493 0.1236
Betaine; CE30 0.6730 0.8333 0.6221 1.0413 1.1838 1.4525 1.3023 0.6724 1.2193
Biliverdin 2.9464 2.7642 2.5563 0.0782 0.0753 0.0719 0.0165 0.0148 0.0122
BIOTIN 0.0719 0.0717 0.0372 1.4994 1.9758 1.1745 1.3504 1.2174 1.4762
BUTANAL 2.1065 2.3842 2.8909 0.0418 0.2546 0.2383 0.2693 0.3151 0.2454
Butylisopropylamine 0.0042 0.0088 0.0093 1.3490 1.7480 2.3708 0.0197 0.0197 0.0015
Butyryl-carnitine; AIF; CE10; MS2Dec 0.0306 0.0173 0.0591 0.0087 0.0079 0.0040 2.9908 2.9499 2.9317
Butyryl-carnitine; AIF; CE30; CorrDec 0.4321 0.3636 0.4648 2.2887 2.2428 2.1085 0.8627 0.4115 0.3795
Butyrylglycine 1.7954 2.3003 2.4679 0.0791 0.1219 0.0941 0.6820 0.5503 0.6070
C10-homoserine lactone 1.5118 1.2058 1.4558 NA NA NA 0.6396 0.6038 0.5831
C18 Dihydroceramide (d18:0/18:0) 0.6726 0.6300 0.5406 2.8619 2.6482 1.3413 0.1220 0.1167 0.0669
Caffeine 2.3728 2.9496 3.1591 0.0029 0.0024 0.0020 0.0040 0.0034 0.0047
Ceramide (18:1/16:0) 0.1632 0.1530 0.1626 2.8019 2.8876 1.8577 0.4172 0.2890 0.2680
Ceratodictyol 0.9100 0.5507 0.4446 NA NA 0.0453 1.1888 1.3282 1.3923
Cetirizine 2.0636 1.9738 1.9358 NA NA NA 0.0052 0.0130 0.0087
CHOLATE 0.3511 0.3277 0.2981 NA NA NA 1.7410 1.6383 1.6437
Cholest-4,6-Dien-3-One 2.6851 2.7028 2.7635 0.1934 0.2101 0.1376 0.1174 0.0609 0.1292
Cholesterol 2.5316 2.7541 3.0109 0.0046 0.0023 0.0028 0.0089 0.0121 0.0078
Cholic acid 0.4110 0.3147 0.3294 0.2263 0.0838 0.1189 2.2266 2.0004 2.2967
Choline 0.2596 0.2803 0.2735 2.7999 2.4993 1.8382 0.4741 0.3551 0.2200
CINNAMIC ACID 0.6415 0.6363 0.6497 2.0283 2.1745 2.1169 0.4160 0.4608 0.4345
cis-Urocanic acid 0.7424 0.7580 0.7992 0.1167 0.1217 0.0784 2.2223 2.0597 2.1016
Citalopram 1.9668 1.8948 1.8634 NA NA NA 0.1089 0.0713 0.0947
Codeine 0.6462 0.9566 1.0131 NA 0.0079 NA 1.8112 1.2541 0.4180
cordycepin 0.3498 0.3113 0.3078 0.2432 0.2450 0.5320 1.6601 2.3999 2.6086
CORTICOSTERONE 1.1841 1.0244 0.9715 NA NA NA 1.0328 1.0355 0.7516
Cortisone 0.2218 0.2237 0.1175 NA NA NA 2.1026 1.0629 2.0127
Cotinine 2.6869 2.7613 2.7735 0.0020 0.0015 0.0015 0.0372 0.0391 0.0313
CP-642931 1.4795 0.4401 1.1501 0.0440 0.0831 0.1119 1.3456 1.7221 2.1748
CREATINE 0.4782 0.5106 0.4972 2.8137 2.8640 1.4275 0.1467 0.1318 0.1304
CREATININE 2.3119 1.5198 1.0926 0.0363 0.0225 0.0319 1.0294 1.1814 1.7743
CROTONIC ACID 0.7504 0.8111 0.8664 0.3881 1.0355 1.3145 1.0947 1.6374 1.2591
Crystal violet 3.3930 1.1756 1.6323 0.0672 0.1388 0.5688 0.2324 0.9527 0.6234
Cyclohexylamine; AIF; CE10; CorrDec 1.4667 1.4840 1.3355 0.1069 0.1431 0.1088 1.2514 1.6084 1.4952
Cyclo(Leu-Pro) 1.1067 1.3440 1.5603 1.2901 1.1960 1.1568 0.5232 0.4895 0.4119
CYS-GLY 0.0499 0.0520 0.0458 2.6362 2.4219 1.7874 0.3172 0.2952 0.2297
Cysteine 0.0666 0.1093 0.1421 0.1512 0.1801 0.2039 1.3025 2.2875 2.8176
Cysteinylglycine 0.0175 0.0164 0.0548 2.8083 2.6346 1.9559 0.2047 0.2537 0.2449
Cytosine 0.2606 0.3103 0.2779 0.0661 0.0616 0.0754 2.5382 2.5733 2.5284
Daidzein 0.0204 0.0186 NA 0.0098 NA 0.0152 1.4610 1.3556 1.4964
Decaethylene glycol 0.4030 0.3410 0.3400 0.2366 0.1882 0.1431 2.4870 2.3641 2.2114
DECANOYLCARNITINE 1.3082 1.2532 1.2531 0.0031 0.0049 0.0111 1.5677 1.5597 1.5445
Decanoyl-L-Carnitine 0.4010 0.2968 0.4289 1.4740 1.5310 1.5723 1.9723 0.8334 0.7763
Decanoyl-L-carnitine D3 1.2964 1.2629 1.2744 0.0077 0.0158 0.0213 1.7017 1.7202 1.6996
DEET 0.7294 0.8471 0.4293 NA NA 0.0684 1.7608 1.5555 1.1436
DEOXYCARNITINE 0.6006 0.6930 0.5332 0.8957 0.7843 0.4374 2.1380 1.3581 1.3722
DEOXYCHOLATE 1.5641 0.9414 0.9963 1.6345 1.5304 0.8961 0.5029 0.4060 0.4937
deoxycholic acid 1.2643 0.8196 1.2285 NA 0.3202 0.3605 0.4818 0.8610 1.7019
deoxycommendamide (putative) or in source fragment -H2O observed in AGP sample 1.6437 1.7883 1.7266 0.3016 0.2051 NA 0.7546 0.6608 0.2271
Deoxykhivorin 1.5512 1.6985 NA NA NA NA 0.0638 NA 1.0358
DEP_178.1226_15.3 0.8739 0.8746 0.8098 0.3849 0.7964 1.6214 1.2655 1.1784 1.1951
D-(+)-Glucosamine 0.0712 0.0943 0.0802 0.0729 0.1055 0.1553 5.9694 1.0003 1.0286
Diazepam 1.5358 1.5523 1.5572 NA NA NA 0.0132 0.0094 0.0156
Dibutyl phthalate 1.5618 1.6161 1.6681 1.0125 0.9197 0.4112 0.5958 0.4957 0.7191
Dibutylphthalate 1.1300 1.5127 1.4540 0.0610 0.0240 0.0863 1.3266 1.2124 2.1931
DIBUTYL SEBACATE 1.5507 1.8096 1.9971 0.1661 0.4505 0.5065 0.4016 0.8602 0.1867
Dicoumaroyl Spermidine 0.0031 0.0039 0.0083 0.0038 0.0002 0.0001 2.6575 1.6602 1.3375
Dicyclohexylamine 0.7769 0.9689 0.9637 1.1870 1.1386 0.5740 1.0362 1.2631 1.0916
Dicyclohexylurea 1.0906 1.2643 1.3355 0.1796 0.2329 0.4173 1.2738 1.6063 1.5998
Diethyl-phthalate 1.5254 1.7684 1.8652 NA NA 0.0006 0.4266 0.3738 0.3737
Diferuloyl putrescine 0.0941 0.2127 0.0566 NA NA NA 1.1534 1.3388 1.6751
Dihydrosphingosine 0.0443 0.0458 0.0410 3.9857 3.1583 2.1221 0.0749 0.0392 0.0497
Diisobutyl phthalate 1.6502 1.6947 1.6729 0.0213 0.0469 0.0815 1.0655 1.9232 0.8439
Dimethyl sulfoxide 0.3972 0.3151 0.3791 0.1403 0.1596 0.0884 2.4769 2.4879 2.5554
Dimethyl??sulfoxide 2.0639 2.1776 2.3293 0.4887 0.5173 0.2620 0.3809 0.3806 0.3997
dimethyl(tetradecyl)amine 1.2107 1.1301 1.0599 0.0287 0.0008 0.0251 1.2973 0.9458 0.8471
Di-n-butyl phthalate 0.9810 0.9362 1.0146 0.0331 0.0362 0.1081 2.5852 1.9217 1.3841
Dioctyl Phthalate 1.3213 1.9891 1.5028 0.0195 0.0082 0.0053 1.0795 1.3397 1.7344
Diosgenin 0.3347 0.2219 0.2669 3.3070 2.5233 2.5154 0.1565 0.1563 0.1308
Diphenylamine 1.3378 0.8184 1.3955 0.3390 0.2418 0.2220 1.8578 1.4335 0.8550
Diphenylphosphine oxide 0.0693 0.0813 0.0879 2.1190 2.1013 1.8587 NA 0.0564 0.0381
DL-Norleucine 0.1638 0.1392 0.1431 1.7517 1.7486 0.6287 1.4991 1.4760 1.4495
DodeDecanoyl-L-carnitine D3 0.0559 0.0273 0.0562 3.3756 3.2700 3.2064 0.0387 0.0416 0.0314
D-ribo-Phytosphingosine 0.0806 0.0629 0.0514 3.2423 2.8876 2.4386 0.1415 0.0727 0.1435
D-sphingosine 0.0338 0.0337 0.0315 4.1782 3.4556 1.1916 0.0319 0.0302 0.0137
Ecgonine-methyl-ester (EME) 0.3170 0.5155 0.5886 0.0331 0.0318 0.0313 2.0048 1.9083 2.2792
Enterodiol 0.0528 0.0612 0.0674 0.0999 0.0827 0.1057 2.6613 2.9614 2.9077
Epigallocatechin NA 0.2861 NA 0.4251 0.4924 1.4267 1.0893 1.6413 0.9571
Erucamide 0.8445 0.8422 0.8769 1.3897 1.3652 1.6676 0.6765 0.6696 0.6679
Ethyl 3-(N-butylacetamido)propionate 0.7721 0.7386 0.8776 1.6694 1.8216 1.9132 0.3919 0.4306 0.3850
Exemestane 0.0937 0.1071 0.0910 0.2195 0.1523 0.2329 2.2874 2.3260 1.4954
FAD 0.0183 NA NA 2.1011 2.1518 1.8465 0.1478 0.1654 0.1743
Fenpropimorph 1.6018 0.8479 0.6876 0.4048 NA NA 0.7246 0.9483 1.2913
FERULATE 1.4840 0.9703 0.8432 NA NA NA 1.1473 0.8469 0.8926
Flavin??adenine??dinucleotide NA NA NA 1.9441 1.5111 1.9369 0.0908 0.0237 0.0182
Flavone base + 3O, O-HexA NA 0.0156 0.0004 NA NA NA 1.1101 1.0768 1.1438
Fluvoxamine 0.0661 0.0442 0.1000 0.0016 0.0028 0.0189 1.5761 1.7182 1.4499
Folic acid 0.0385 NA NA 2.1171 2.2297 1.9926 0.1344 0.1027 0.0800
Gabapentin 1.7938 1.9605 2.1612 NA NA NA 0.0170 0.0439 0.0236
Gabapentin-lactam 2.0653 2.3173 2.3459 0.0235 0.0117 0.0253 0.0196 0.0391 0.0302
GAMMA-CAPROLACTONE 0.9222 0.8002 0.7434 1.2987 1.3287 0.7267 1.0550 1.1035 0.9759
Gamma-glutamylcysteine 0.1503 0.0198 0.5348 2.0839 1.6901 1.7673 0.3286 0.5238 0.2826
gamma-Glutamylleucine 0.2732 0.2765 0.2926 0.7729 0.9283 0.9881 1.6435 1.9059 1.9130
Genistein 0.0527 0.0515 NA NA NA NA 1.3605 1.1553 1.1161
Gentisyl alcohol 0.0267 0.0423 0.0262 NA NA NA 1.6225 2.0053 1.9524
Glutamate 0.0588 0.0688 0.0185 0.0637 0.0661 0.0011 1.5349 1.7268 1.9623
GLUTAMIC ACID 1.0563 0.8501 0.6473 1.0958 1.1112 1.8016 0.7654 0.8032 1.0027
Glutamic acid gamma methyl ester 0.1457 0.1250 0.1497 2.0872 2.2890 3.0972 0.7205 0.7118 0.7224
Glutamine 0.0139 0.0085 0.0287 0.0150 0.0306 0.0136 2.5183 2.4938 2.5688
Glutamine; AIF; CE10; CorrDec 0.0042 0.0076 0.0063 0.0024 0.0040 0.0032 2.4400 2.4837 2.5535
Glutamine; LC-tDDA; CE40 0.0090 0.0108 0.0150 0.0107 0.0154 0.0185 2.3678 2.8542 3.0412
Glutamylphenylalanine (isomer of 1503) 0.2042 0.2159 0.2021 1.4010 1.9097 2.0227 1.1134 1.2445 1.1978
Glutaryl-carnitine; AIF; CE30; MS2Dec 0.0845 0.1126 0.0999 0.0015 0.0027 0.0009 2.7258 2.6532 2.6531
Glutathione 0.0004 0.0010 0.0005 2.9841 3.1481 2.5345 0.0033 0.0030 0.0038
Glutathione oxidized 0.0056 0.0009 0.0083 2.5126 2.6369 2.9309 0.0095 0.0304 0.0140
GLYCEROL-MYRISTATE 1.9806 0.2697 NA NA NA NA 1.0774 1.1570 1.6322
Glycitein 0.0008 0.0029 0.0001 NA NA NA 1.1622 1.1706 1.1666
GLYCOCHENODEOXYCHOLIC ACID 0.2414 0.1114 0.1719 NA NA NA 1.6600 1.7529 1.9360
GLYCOCHOLATE 2.2212 2.2719 2.1719 0.2529 0.2747 0.2925 0.4089 0.4345 0.3176
Glycohyocholic acid 2.1038 2.0830 2.1032 0.1446 0.1576 0.2095 0.6318 0.5943 0.5768
Glycohyodeoxycholic acid 2.4531 2.6687 2.7059 0.2350 0.2168 0.1423 0.0620 0.0421 0.0453
Glycyl-L-proline 1.3750 0.5567 1.3862 0.9665 0.8079 0.0437 1.3206 1.2360 0.4432
Glycyl-proline; LC-tDDA; CE20 0.0190 0.0482 0.0218 0.0108 0.0034 NA 2.3901 2.3331 2.1818
Gly-Leu 0.1290 0.1449 0.2131 1.8600 1.9686 2.1846 0.9040 0.8855 1.3026
Guanine 2.2236 1.3081 1.3086 0.6424 1.1527 0.2594 1.0350 0.6122 0.3345
Guanosine 0.0437 0.0588 0.0873 1.2481 1.3585 1.3575 1.2044 1.2191 1.1989
h_60_epimethendiol 2.3619 1.9722 2.4030 0.2838 0.1912 0.0722 0.0438 0.0806 0.0143
Hexanoyl-carnitine; AIF; CE30; CorrDec 0.0462 0.0496 0.0486 0.0006 0.0008 0.0010 2.8100 2.7687 2.7749
HEXANOYLGLYCINE 0.1443 0.1013 0.1734 0.0025 0.0200 0.0167 2.0764 1.9482 2.0500
Hexanoyl-L-Carnitine 0.0627 0.0755 0.0826 0.0221 0.0222 0.0213 2.7245 2.7503 2.7496
Hippuric acid 0.0833 0.1014 0.1090 0.0091 0.0119 0.0126 2.7407 2.7041 2.7342
Hirsuteine 2.0621 2.4150 2.2713 0.2363 0.1360 0.0950 0.1203 0.1933 0.1449
Histidine 0.5347 0.6018 0.6170 0.0922 0.0966 0.0614 2.3791 2.2747 2.3425
Homoserine 0.2680 0.1585 0.2015 0.1907 0.2163 0.1091 2.6183 2.6085 2.6291
Homostachydrine 2.1191 2.3254 2.3433 0.2898 0.2414 0.1237 0.4882 0.3374 0.5856
HP-921; CE30; DDA; WAVNXLRSYAMQNY-UHFFFAOYSA-N 1.0501 0.7293 0.8697 1.0915 0.7140 0.5833 0.9031 1.3881 1.6708
hyocholic acid 0.5316 0.3260 0.3255 0.5527 0.0598 0.0278 2.1175 1.6519 1.9702
Hypoxanthine 0.2274 0.3280 0.1950 0.5241 0.4360 0.4497 1.6150 2.6914 2.5335
Indole-3-acetyl-L-alanine 0.0133 0.0112 0.0127 NA 0.0061 0.0007 2.0839 1.9644 2.0819
Indole-3-carbinol 2.3674 2.8470 3.0646 0.0252 0.0309 0.0256 0.2099 0.2261 0.2033
Indole-3-carboxyaldehyde 0.8478 1.2167 1.2483 0.5249 0.5061 0.5265 1.2601 1.2449 1.3879
INDOLE-3-ETHANOL 0.6351 0.7452 1.7143 0.1557 NA 0.1574 1.1766 0.9266 1.0224
INDOLEACETIC ACID 0.0118 0.0147 0.0149 0.0038 NA NA 2.0938 2.1776 2.1853
Indoline 0.8352 1.6409 2.1648 0.5661 0.8939 0.1972 0.4376 0.7552 1.6109
INOSINE 0.0749 0.1118 0.0415 1.6738 1.8762 1.9754 1.4292 1.2240 0.9330
Isobutyryl-carnitine; LC-tDDA; CE10 0.4806 0.5137 0.5177 1.8805 1.8398 1.7324 1.3349 0.5533 0.5132
Isoleucine 0.8389 0.8429 0.8209 0.2977 0.4084 0.2062 1.6817 1.9515 1.9519
Isotalatizidine 0.1928 0.2519 0.1028 NA NA 0.1466 2.2003 1.6516 1.4588
IS_PHENYLALANINE-2,3,4,5,6-D5 1.3470 1.3832 1.3978 0.6481 0.7451 0.7974 0.8532 0.8642 0.8627
IS_TRYPTOPHAN-2,4,5,6,7-D5 1.2876 1.3689 1.3874 0.9584 1.0501 0.9000 0.5979 0.7058 0.7107
Kynurenic acid 0.1186 0.0665 0.0971 0.0716 NA 0.0020 2.0838 2.1281 1.5245
KYNURENINE 0.9107 0.9984 1.0109 0.1688 0.1945 0.1801 1.7359 1.7108 1.6799
Lactamide 1.0141 1.1357 0.9188 0.9402 0.8873 0.9850 0.9162 0.9751 1.2275
LACTULOSE 0.0282 0.0460 0.1512 0.0063 0.0064 0.0238 2.6332 1.1937 2.6213
L(+)-Arginine 2.5030 2.6146 2.7880 0.1552 0.1634 0.1242 0.2068 0.2187 0.2261
Lauramidopropyl betaine 1.2804 1.3991 1.4048 1.3680 1.5621 1.0858 0.3703 0.2815 0.2480
LAUROYLCARNITINE 1.6773 1.1050 1.0431 0.2483 1.5759 2.6237 0.4929 0.4371 0.3379
Lauryl diethanolamide 1.3395 1.4381 1.5555 1.7115 1.5176 1.0097 0.1651 0.1533 0.1096
Lauryldiethanolamine 2.0947 2.0513 1.9567 0.1169 0.2837 0.2145 1.0808 0.7200 0.4813
Lauryldimethylamine Oxide 1.9515 2.1587 2.0075 0.0004 0.0042 0.0061 0.5743 0.4643 0.5026
L-beta-Homoleucine 0.0774 0.0755 0.0204 2.9276 3.1759 2.9847 0.1999 0.2345 0.2963
L-Carnitine 2.2646 2.2805 2.3218 0.3814 0.3997 0.2572 0.3048 0.2616 0.2807
lenticin 1.3267 1.6796 1.8324 0.0073 0.0080 0.0063 1.0934 1.2682 1.2813
L-(+)-Ergothioneine 0.6196 0.5275 0.9426 NA NA NA 1.9405 1.3049 0.6553
Leucine 0.3553 0.3366 0.3873 0.8404 1.0676 0.5750 1.7606 1.7682 1.9090
Leucine_Enkephalin 1.3478 1.4843 1.5798 0.0057 0.0061 0.0165 1.3639 1.3598 1.3443
Leucyl-leucine; LC-tDDA; CE10 0.5147 0.3692 0.4327 0.5018 0.4983 0.4294 2.2606 2.1840 1.6191
L-Glutamine 0.0036 0.0136 0.0450 0.0547 0.0651 0.0422 3.2414 3.1877 1.6974
L-Histidine 0.4664 0.4730 0.4488 0.4308 0.4017 0.4010 2.1208 2.1319 1.9259
LID_235.1805_10.1 2.5598 2.4946 2.5356 0.0073 0.0081 0.0138 0.1790 0.1903 0.1875
Lidocaine-N-Oxide 0.1110 0.3071 0.2290 0.1460 0.0070 NA 1.8901 1.7991 1.4116
?-linolenic acid 1.5476 0.6607 0.6638 NA NA NA 1.2117 1.1966 0.7197
Linoleyl-carnitine; AIF; CE30; CorrDec 0.9917 0.6110 0.5957 0.5014 1.0537 3.6472 0.0352 0.0133 0.0603
Linoleyl-carnitine; LC-tDDA; CE20 1.9438 2.4087 2.4746 0.0039 0.0006 0.0004 0.0020 0.0014 0.0005
L-Isoleucine 1.2387 1.2543 1.5521 1.1893 1.5107 0.8754 0.4510 0.6110 0.3175
L-Methionine 1.6191 1.5867 1.5896 1.0495 1.1467 0.8122 0.3892 0.3783 0.3661
Loliolide 0.5750 0.6186 0.6801 0.9249 1.0179 0.6431 1.4518 1.3337 1.6359
L-Ornithine 2.0793 2.2054 2.1790 0.0506 0.0462 0.0547 0.2460 0.3922 0.3218
LPC 16:0 1.7457 1.7354 1.7313 1.0781 0.9473 0.2621 0.0001 0.0001 0.0001
LPC 18:1 2.4724 2.3803 2.2758 0.0950 0.0858 0.0476 0.0001 0.0000 0.0000
LPC 18:2 2.6353 2.8283 2.7856 0.0375 0.0340 0.0190 0.0011 0.0014 0.0007
LPC 18:3 2.4711 2.6315 2.6695 0.0252 0.0239 0.0104 0.0031 0.0029 0.0030
L-Pipecolic acid 2.6229 2.6559 2.6839 0.1117 0.1244 0.1332 0.2006 0.2378 0.2294
LUMICHROME 0.0237 0.0253 0.0440 3.5498 3.3221 2.8418 0.0561 0.0282 0.0298
LYSINE 1.4640 1.3696 1.3560 0.4162 0.4120 0.2312 1.2879 1.2774 1.1857
LysoPC(0:0/18:0) 3.2042 2.4052 1.9161 0.1366 0.1100 0.0986 0.0034 0.0050 0.0063
MAG 2.5070 2.4365 2.4650 0.1045 0.0961 0.0549 0.0090 0.0099 0.0137
Maltol 0.0043 0.0093 0.0218 3.4342 3.5504 1.5095 0.1606 0.2047 0.1902
maltotriose NA NA 0.0342 NA NA NA 1.2739 2.4623 0.0732
Mefenamic acid 2.0763 2.3652 2.4491 0.1199 0.1247 0.1122 0.4409 0.4341 0.4336
Methionine 0.2160 0.1905 0.0922 1.4704 1.7305 1.2992 1.5234 1.3781 1.1994
Methylhippuric acid 0.0124 0.0141 0.0169 1.1367 1.3833 1.1421 1.7972 1.7757 1.7690
Methyl-hippuric acid; LC-tDDA; CE20 0.0792 0.0724 0.1123 0.0173 0.0187 0.0155 1.9883 2.2602 2.3070
Methylimidazoleacetic acid; LC-tDDA; CE40 0.2374 0.3231 0.3532 0.0197 0.0232 0.0087 2.0842 2.2346 2.0800
Methyl Salicylate 0.1758 0.2659 0.3387 0.0272 0.0544 0.0890 4.0394 1.1159 1.0075
Methyl trans-styryl ketone 0.0058 0.0022 0.0051 3.5367 2.7127 1.3510 0.0028 0.0017 0.0063
Methyltyrosinate 0.0385 0.0520 0.0587 2.5359 2.4960 1.7619 0.7340 0.8018 0.7751
MMV688990 0.1298 0.1829 0.1344 3.5386 3.3972 1.6647 0.0672 0.0577 0.0490
Mono-iso-butyl phthalate 0.4755 0.6541 0.4926 0.1010 0.0918 0.0587 2.2121 2.4094 2.3480
monoolein 1.3691 1.5277 1.6800 1.4988 0.9566 0.9094 0.2642 0.1749 0.1585
Morphine_3_Glucuronide NA NA 0.0135 0.0115 0.0027 0.0007 1.5773 1.5757 1.5003
Myristamidopropyl betaine 1.1902 1.5753 1.5127 1.7979 1.8024 0.7760 0.0708 0.0435 0.0718
Myristoyl-carnitine; AIF; CE10; MS2Dec 0.0085 0.0095 0.0125 4.0292 3.6425 1.2905 0.0025 0.0021 0.0026
Myristoyl-carnitine; LC-tDDA; CE30 2.4876 2.6996 2.7338 0.0767 0.0959 0.0826 0.0116 0.0121 0.0120
N-[1,3-dihydroxyoctadec-4-en-2-yl]tetracos-15-enamide 1.0804 1.1882 0.5691 2.6554 2.2007 0.9145 0.0230 0.0270 0.0146
N-(1,3-dihydroxyoctadec-4-en-2-yl)tetradecanamide 0.9981 1.1474 0.8701 1.4316 1.7043 1.3252 0.6326 0.3868 0.5039
N1-ACETYLSPERMINE 0.1859 0.1537 0.0800 1.2757 0.8311 0.6689 1.2959 1.2071 1.4213
N1-Methyl-4-pyridone-3-carboxamide; AIF; CE10; CorrDec 0.8704 0.9100 0.9704 0.0175 0.0178 0.0143 1.9329 1.8899 1.8838
N-(2,4-Dimethylphenyl)formamide 0.9418 0.5214 1.7036 0.8287 0.9098 0.8135 0.9921 1.1988 0.9969
N2,N2-Dimethylguanosine 0.0313 0.0323 0.0372 0.0756 0.0982 0.0840 5.2113 1.3896 1.4299
N-[3-(Dimethylamino)propyl]dodecanamide 1.6965 1.8314 1.6521 0.0038 0.0162 0.0037 1.0723 1.0202 1.0397
N6-(DELTA2-ISOPENTENYL)-ADENINE 0.1323 0.2588 0.2315 0.8098 0.7298 0.5352 1.7965 2.2213 2.0523
N6-Methyladenosine 0.3253 0.3615 0.3351 0.0160 0.0224 0.0675 2.4420 2.4355 2.2092
N6-Succinyladenosine; AIF; CE30; MS2Dec 0.3170 0.7144 0.1895 0.0364 0.0610 1.3073 2.4254 1.8494 1.6231
N6-Threonylcarbamoyladenosine 0.0118 0.0137 0.0145 0.0876 0.1268 0.0942 2.3640 2.9038 2.9307
N-Acetyl-5-hydroxytryptamine 0.0737 0.0430 0.1429 3.1858 3.0963 2.8762 0.2196 0.1400 0.1605
N-ACETYL-ASPARTIC ACID 0.0445 0.0008 0.0302 1.8155 2.4907 2.8273 0.2540 0.2603 0.2333
N-Acetyl-cysteine; LC-tDDA; CE20 0.0014 0.0234 0.0290 0.1602 0.2364 0.2715 4.3735 0.8701 0.8643
N-Acetyl-cysteine; LC-tDDA; CE30 0.0054 0.0085 0.0046 0.0191 0.0281 0.0323 2.2017 2.5292 2.5278
N-Acetyl-cysteine; LC-tDDA; CE40 0.0014 0.0602 0.0423 NA NA NA 1.5336 1.1443 1.4471
N-Acetylcytidine 0.0372 0.0443 0.0495 0.0304 0.0424 0.0448 2.4516 2.8058 2.8571
N-ACETYLGALACTOSAMINE 0.0817 0.1460 0.1934 2.3023 2.2284 1.8127 0.9369 0.6383 0.7967
N-Acetylglutamic acid 1.4269 1.3258 1.1308 0.5028 0.5872 0.5101 1.0309 1.1326 1.1896
N-Acetyl-leucine; LC-tDDA; CE10 0.0614 0.0547 0.0675 0.0823 0.0934 0.0937 2.5992 2.6837 2.8111
N-Acetyl-leucine; LC-tDDA; CE20 0.2091 0.3366 0.3827 0.3969 0.4585 0.4492 2.1624 2.1956 2.1334
N-Acetylmethionine 0.0310 0.0508 0.0347 0.5865 0.7485 0.7987 1.9571 2.2422 2.2885
N-ACETYLMURAMIC ACID 0.0455 0.0828 0.0222 NA NA NA 1.8618 1.7086 1.6615
N-Acetylphenylalanine 0.0630 0.0828 0.0761 0.3620 0.4919 0.3780 2.2355 2.6143 2.4891
N-ACETYLPUTRESCINE 0.3291 0.2870 0.2455 0.0344 NA 0.0327 1.8276 1.6833 1.8378
N-ACETYLTRYPTOPHAN 0.0648 0.0654 0.0618 1.0733 1.3236 1.0239 1.7909 1.8344 1.7700
N-Acetyl-tyrosine; LC-tDDA; CE30 0.0367 0.0806 0.0399 0.8504 1.1748 1.2236 1.7382 1.9740 1.8330
N-C18:0 Phytoceramide 0.2278 0.3445 0.1622 NA 0.4901 4.0669 1.0701 0.7193 0.6285
NCGC00015088-09_C12H14N2O_N-[2-(1H-Indol-3-yl)ethyl]acetamide 0.0370 0.0762 0.0731 0.0145 NA 0.0195 1.0748 3.8564 1.5370
NCGC00169296-02!(2S,3S,4S,5R,6S)-3,4,5-trihydroxy-6-(5-hydroxy-8-methoxy-4-oxo-2-phenylchromen-7-yl)oxyoxane-2-carboxylic acid NA 0.0027 0.0034 0.0001 0.0052 0.0011 1.3133 1.5116 1.5044
NCGC00332267-02!N-(2-phenylethyl)acetamide 0.8331 1.4462 1.5263 0.0299 0.0334 NA 1.0774 0.5948 0.8450
NCGC00380823-01!2-(14-methylpentadecanoylamino)-3-phenylpropanoic acid [IIN-based: Match] 0.9235 1.1408 1.6871 1.4438 1.1805 0.6737 0.6004 0.6404 0.6011
NCGC00381425-01!8-hydroxy-8-(3-octyloxiran-2-yl)octanoic acid [IIN-based on: CCMSLIB00000846585] 0.8505 1.3120 1.2328 0.2957 0.4269 0.4141 1.9471 1.4036 0.7809
NCGC00384987-01_C12H15NO4_N-Acetyl-O-methyltyrosine 1.1581 1.1259 1.1108 0.0001 0.0016 NA 1.1259 1.0605 1.0847
NCGC00385291-01_C19H30O8_3-Buten-2-one, 4-[4-(beta-D-glucopyranosyloxy)-2-hydroxy-2,6,6-trimethylcyclohexylidene]- 0.1797 0.1334 0.0882 0.1977 0.5464 0.5750 3.7060 1.7078 1.6533
NCGC00385316-01_C20H32O3_1-Naphthalenepentanoic acid, 3,4,4a,5,6,7,8,8a-octahydro-beta,2,5,5,8a-pentamethyl-3-oxo-, (8aS)- 0.0011 0.0021 0.0022 NA NA NA 1.9721 2.0039 2.0186
NCGC00385353-01!(2S,3S,4S,5R,6S)-3,4,5-trihydroxy-6-(5-hydroxy-4-oxo-2-phenylchromen-7-yl)oxyoxane-2-carboxylic acid NA NA 0.0021 NA 0.0016 NA 1.2077 1.2161 1.2415
NCGC00385536-01!(2E,4E)-N-(1,3-dihydroxy-3-methylpentan-2-yl)-2-methylhexa-2,4-dienamide [IIN-based on: CCMSLIB00000845102] 0.0397 0.0300 0.0417 0.0102 0.0059 0.0078 2.6085 3.0804 3.0105
N-(CINNAMOYL)GLYCINE 0.0313 0.0341 0.0408 0.0043 0.0048 0.0037 2.4160 2.3329 2.3065
NEPSILON,NEPSILON,NEPSILON-TRIMETHYLLYSINE 0.1501 0.1576 0.1718 0.0036 0.0048 0.0032 2.7241 2.7022 2.7504
N-Fructosyl isoleucine 2.1306 2.2718 2.4195 0.2044 0.2398 0.2500 0.3677 0.3703 0.3709
NICOTINAMIDE 0.8389 0.8985 0.8974 1.8722 1.9604 1.0816 0.4806 0.4791 0.4912
NICOTINATE 1.0642 1.1170 1.2377 0.9459 0.8746 0.9871 0.8182 0.9705 0.9784
Nicotine 2.0985 1.9850 1.9461 0.7275 0.7333 0.7849 0.1965 0.2310 0.1897
Nicotinic acid 0.3591 0.1484 0.7794 0.0895 0.4885 0.3240 1.9795 2.0410 2.3283
N-Isovalerylglycine 0.3467 0.2894 0.1942 0.0321 0.0455 0.0649 2.4907 2.6522 2.0909
N-lauroylethanolamine 0.9516 1.1568 1.3331 0.9309 0.8192 0.4259 1.1482 1.1904 1.0439
N-Methyldodecylamine 1.8452 1.9092 1.6769 0.0019 0.0034 0.0022 0.9025 0.8423 0.8191
N-METHYLNICOTINAMIDE 0.0072 0.0126 0.0055 0.0043 0.0028 0.0019 1.9908 2.4139 2.4017
N,N-Dimethyldecylamine 0.4174 0.3257 0.3657 2.7628 2.6927 2.8363 0.0753 0.0652 0.2229
N,N-Dimethyldecylamine oxide 0.0738 0.0650 0.0533 3.3006 3.3190 2.9510 0.0791 0.0715 0.0622
N,N-Dimethyldodecylamine 0.2379 0.2995 0.2312 2.8722 2.7743 1.5676 0.3569 0.3590 0.3015
N,N-Dimethyldodecylamine N-oxide 2.0947 2.0616 2.0236 0.0838 0.2012 0.1514 1.0664 0.7332 0.5840
N,N-Dimethylguanosine; LC-tDDA; CE40 0.0543 0.0570 0.0594 0.0087 0.0113 0.0065 2.4509 2.9092 2.9460
N-(n-octyl)-2-pyrrolidinone 1.4628 1.5386 1.6328 0.3926 0.4984 0.4030 1.0620 0.9852 1.0246
Nonaethylene glycol 0.5350 0.4519 0.4790 0.2501 0.1979 0.1033 2.4320 2.2423 2.3085
Norethindrone 0.2950 0.0934 0.1459 0.3231 0.1580 0.1671 1.9052 2.4866 1.9912
Norharman 1.0705 1.0205 1.0293 1.4322 1.1455 0.4375 1.0925 0.9172 0.8548
N(PAI)-METHYL-L-HISTIDINE 0.2600 0.1719 0.3830 0.0237 0.0304 0.0194 2.3346 2.8056 2.4811
O6-MeG 0.0610 0.0530 0.0638 0.0001 0.0002 0.0007 2.8983 2.7583 2.6649
Octaethylene glycol 1.2440 1.1035 1.2753 NA 0.0309 0.0428 0.9491 1.2420 1.4703
OCTANOYLCARNITINE 0.0184 0.0200 0.0201 NA NA NA 1.9662 1.9897 1.9856
Octenoyl-carnitine; LC-tDDA; CE10 0.1279 0.1427 0.1413 0.0085 0.0090 0.0104 2.6215 2.7185 2.7254
Octenoyl-carnitine; LC-tDDA; CE30 0.0759 0.0825 0.0850 0.0000 0.0000 0.0000 2.1917 2.2065 2.1918
Oleoyl Ethanolamide 2.2104 2.3338 2.3059 0.8921 0.7585 0.2903 0.0825 0.0718 0.0547
Oleoyl-L-Carnitine 2.4359 2.3875 2.3296 0.0012 0.0051 0.0095 0.0009 0.0004 0.0008
oroxindin NA 0.0005 0.0024 0.0039 0.0049 0.0144 1.0055 1.4927 1.4971
ortho-Chlorophenylpiperazine 2.2026 2.3084 2.0662 0.0364 0.0273 0.0170 0.1582 0.2264 0.1737
Ortophosphate 0.0158 0.0110 0.0082 3.1302 3.4450 2.2007 0.0047 0.0055 0.0148
Palmitoylcarnitine 2.4931 2.8023 2.9012 0.0317 0.0539 0.0589 0.0066 0.0033 0.0036
Palmitoyl-carnitine; AIF; CE30; CorrDec 0.0022 0.0025 0.0048 3.9600 3.6117 1.4184 0.0001 0.0001 0.0003
Palmitoylcarnitine cation 0.9661 0.4995 0.6197 1.4558 2.8350 2.2233 0.0242 0.0311 0.0205
Pantethine 0.0146 0.0146 NA 0.6136 NA NA 1.8188 0.6730 0.8813
PANTOTHENATE 0.0238 0.0262 0.0294 2.9571 3.5558 1.6219 0.4953 0.2659 0.3354
PANTOTHENIC ACID 0.0318 0.0467 0.0674 2.9144 3.1496 2.9286 0.3351 0.3503 0.1403
Paraxanthine 1.6323 1.9979 2.1617 NA 0.0000 NA 0.1107 0.1337 0.1304
Paroxetine 1.5733 1.9950 1.7426 NA NA NA 0.1377 0.0987 0.1629
PC(16:0/0:0) 1.2731 1.3430 1.3235 1.6411 1.9773 0.9417 0.0001 0.0002 0.0001
PC(16:0/18:1(9Z)) 1.4519 1.4709 1.4848 1.4783 1.6607 1.4378 0.0067 0.0045 0.0043
PC 17:0-20:3-d5_ISTD 0.5052 0.6538 0.6949 2.7836 2.0769 1.4652 0.0175 0.0319 0.0338
p-Coumaraldehyde 0.0557 0.1114 0.0857 NA NA 0.0222 1.8790 1.8651 2.0180
Petiline 1.3858 1.3333 1.2428 NA 0.0010 0.0140 0.7701 0.8086 0.7901
Phenylacetylglutamine 0.0033 0.0051 0.0033 0.0225 0.0238 0.0108 2.6749 3.1782 3.0779
PHENYLACETYL-GLUTAMINE 0.0124 0.0107 0.0127 0.0854 0.0778 0.0420 3.4823 3.4316 1.8452
Phenylalanine 0.5728 0.7648 0.9492 0.3151 0.2394 0.2986 1.6185 1.7611 1.6436
PHENYLETHANOLAMINE 0.7021 0.7199 0.7248 2.1864 2.2685 1.0797 0.4326 0.4399 0.4462
Phenylethylamine 2.1320 2.1207 2.0396 0.0815 0.0780 0.0814 0.7816 0.9611 0.7242
Phosphorylcholine; LC-tDDA; CE30 0.0081 0.0029 0.0053 2.9694 2.9729 2.6465 0.0229 0.0230 0.0116
Phosphorylcholine; LC-tDDA; CE40 0.0399 0.0249 0.0621 1.8035 1.0196 4.3136 0.0616 0.1242 0.1344
Phthalic acid 1.4208 1.8224 1.2343 0.0753 0.0956 0.1197 1.2402 1.4683 1.5234
Phytosphingosine 0.1273 0.1733 0.1181 3.2474 3.1657 2.5775 0.1007 0.0755 0.0439
Phytosphingosine (not validated, isomer of 1696) 1.7408 1.7805 1.7195 0.2119 0.4861 0.4118 1.2005 0.6329 0.5220
Picolinic acid 0.0235 0.0348 0.0336 0.0164 0.0184 0.0136 1.9759 2.3798 2.5366
Pilocarpine 0.9551 0.7553 0.8639 0.1191 0.3157 0.1234 1.3995 1.8041 2.3718
Pipecolic acid 0.9771 0.9799 1.0508 0.4296 0.3984 0.2723 1.5080 1.7244 1.5384
Piperine 2.0076 2.0872 2.0563 0.0018 NA NA 0.0053 0.0063 0.0037
Pirimicarb-desamido 0.3091 0.3318 0.3996 0.0426 0.0447 0.0174 2.1914 2.1808 2.1900
P-OCTOPAMINE 1.1048 1.1002 1.1546 1.6302 1.6253 0.8003 0.5227 0.5174 0.5446
Prolinamide 1.4167 1.7084 1.6074 NA NA NA 0.4150 0.3738 0.3744
PROLINE 2.2347 2.5014 2.5468 0.1353 0.1829 0.1938 0.2254 0.2832 0.4240
Proline betaine 2.4735 2.4682 2.5166 0.0129 0.0128 0.0088 0.4823 0.4133 0.4465
PROPIONYLCARNITINE 1.1237 1.1070 1.0881 1.0229 1.0798 0.5163 1.0187 1.0222 1.0213
PURINE 1.6155 1.4145 1.8907 0.3266 0.3756 0.4180 1.3334 0.6476 0.9782
Purine; CE30; DDA; KDCGOANMDULRCW-UHFFFAOYSA-N 1.9600 1.1294 1.6667 0.3616 0.4405 0.4709 0.9683 0.8370 1.1655
Putrescine 0.0880 0.1290 0.0984 1.4955 1.7459 1.1792 1.4559 1.4112 1.3969
Pyridine 1.7035 1.9524 1.8896 0.3012 0.3386 0.9985 0.6164 0.7127 0.4871
Pyridoxal 0.2726 0.1959 0.2437 0.0389 0.0541 0.0489 6.5769 0.4303 0.3453
Pyridoxine 0.2790 0.2908 0.2993 2.5073 2.6302 2.6321 0.2153 0.3949 0.5671
PYROGLUTAMATE 0.0091 0.0102 0.0119 0.0046 0.0064 0.0043 3.0057 2.9812 2.9666
PYROGLUTAMIC ACID 0.0066 0.0081 0.0072 0.0122 0.0161 0.0158 2.6132 3.1306 3.1902
Quetiapine 1.9495 1.9766 1.9025 NA NA NA 0.0024 0.0009 0.0019
Quinaldic acid 0.1057 0.0935 0.1625 0.5858 0.7157 0.6708 2.0680 1.7130 1.9807
Quinoline; LC-tDDA; CE30 0.8497 0.7460 1.1182 0.2799 0.4670 0.2385 2.5788 1.3167 1.2853
Quinolone 0.1954 0.1045 0.1143 0.5546 0.6791 0.6895 1.8412 2.3859 2.2802
(R)-4-((3R,5R,6R,7R,8S,9S,10R,13R,14S,17R)-3,6,7-trihydroxy-10,13-dimethylhexadecahydro-1H-cyclopenta[a]phenanthren-17-yl)pentanoic acid 0.4821 0.3053 0.6232 0.9837 3.0201 0.8464 1.0254 0.7630 0.9281
(R)-4-((3R,5R,8R,9S,10S,12S,13R,14S,17R)-3,12-dihydroxy-10,13-dimethylhexadecahydro-1H-cyclopenta[a]phenanthren-17-yl)pent-2-enoic acid 1.7013 2.4507 1.8085 0.0529 0.0383 0.0770 0.0961 0.0588 0.0667
(R)-4-((3R,5R,8S,9S,10R,13R,14S,17R)-3-hydroxy-10,13-dimethyl-6-oxohexadecahydro-1H-cyclopenta[a]phenanthren-17-yl)pentanoic acid 1.0994 1.1807 0.8223 0.1301 0.0329 0.1451 1.7687 1.1507 1.1605
(R)-4-((3S,5S,7R,8R,9S,10S,12S,13R,14S,17R)-3,7,12-trihydroxy-10,13-dimethylhexadecahydro-1H-cyclopenta[a]phenanthren-17-yl)pentanoic acid 0.8432 2.2843 1.2195 0.0706 0.1496 0.5559 1.0104 1.0434 1.2436
(R)-4-((3S,5S,7S,8R,9S,10S,13R,14S,17R)-3,7-dihydroxy-10,13-dimethylhexadecahydro-1H-cyclopenta[a]phenanthren-17-yl)pentanoic acid 1.2751 1.6770 1.7348 0.2496 0.0944 0.5465 0.1196 0.1255 0.0823
(R)-4-((5S,8S,9S,10R,13R,14S,17R)-10,13-dimethyl-3,6-dioxohexadecahydro-1H-cyclopenta[a]phenanthren-17-yl)pentanoic acid 0.5571 0.7946 0.3228 1.1871 0.4274 1.9383 1.0718 0.8433 2.5698
RIBOFLAVIN 0.3808 0.4405 0.4114 1.4503 1.3862 1.0427 1.3032 1.1291 1.4700
(R)-(-)-Phenylephrine 1.9250 2.0434 1.9039 0.0910 0.0898 0.1061 0.7987 0.7726 0.6735
S-Adenosyl-L-homocysteine 0.3591 0.4055 0.3761 1.4307 1.5291 1.5760 1.2555 1.1203 1.2358
Sarcosine; AIF; CE10; MS2Dec 0.7357 0.6901 0.7010 2.1762 2.0354 0.9933 0.5210 0.5393 0.6080
Serotonin 1.1786 1.6098 1.4293 0.0020 NA NA 0.6418 0.4912 0.9819
Serylleucine 0.1745 0.2283 0.1236 1.1943 1.4355 1.1916 2.3930 1.1984 1.1564
S-Methyl-methionine; LC-tDDA; CE20 0.6889 0.7761 1.2128 NA NA NA 1.6931 0.5843 1.2825
sn-Glycero-3-phosphocholine 0.4974 0.3482 0.4438 0.3148 0.2051 0.3002 2.2228 2.1746 2.1431
SPERMIDINE 0.0059 0.0057 0.0063 3.5974 3.4751 1.6545 0.0897 0.0848 0.0807
SPERMINE 0.0209 0.0082 0.0054 2.2715 3.3567 1.7233 0.5231 0.5378 0.5532
SPHINGANINE 1.4039 0.9296 0.8808 0.8261 1.2964 2.8516 0.6200 0.4697 0.3390
Sphinganine (C17 base) 1.2500 0.7010 0.5935 0.7167 0.6311 2.3971 0.8202 1.5844 0.9321
SPHINGOMYELIN 2.2894 2.1833 1.9448 0.9240 1.0296 0.5865 0.0184 0.0122 0.0118
Sphingosine 2.7682 2.6877 2.6123 0.1146 0.1050 0.0816 0.1253 0.0986 0.1006
Stearoyl-carnitine; LC-tDDA; CE20 2.5765 2.7027 2.8084 0.0142 0.0258 0.0298 0.0117 0.0087 0.0061
Stearoyl-L-Carnitine 0.0081 0.0092 0.0086 3.9734 3.6330 1.3587 0.0025 0.0029 0.0035
Stercobilin 0.0142 0.0172 0.0178 NA NA NA 1.9231 1.9894 2.0384
TAG(50:1) 2.7559 2.6832 0.2309 1.5473 1.1248 0.5937 0.0158 0.0240 0.0243
Taurine; AIF; CE10; CorrDec 0.1323 0.1981 0.2007 0.0016 0.0922 0.0022 1.8125 2.2760 2.2151
Taurocholic acid 0.3215 0.1202 0.2171 NA NA 0.1879 1.0182 2.0371 2.0310
Taurodeoxycholate 1.0177 2.1160 2.0657 NA 0.1420 0.1226 0.3332 0.3086 0.1065
?-Tauromuricholic acid 0.2927 0.2534 0.6126 NA 0.2111 NA 1.6615 1.3275 1.7480
TAUROURSODEOXYCHOLIC ACID 0.6678 0.4248 1.4745 NA NA NA 1.7742 0.4833 1.5158
Theobromine 1.7949 1.9853 2.0980 NA 0.0017 NA 0.1418 0.1529 0.1599
THIAMINE 0.2689 0.1648 0.0930 1.5849 1.9247 3.4180 0.4140 0.6161 0.5156
Thionin 1.1915 0.7965 0.4492 1.0302 1.0785 0.9536 0.9010 0.7766 1.8548
Thymine 0.0581 0.0563 0.0665 1.8640 1.6421 7.0394 0.4420 0.4222 0.4291
TIGLYL GLYCINE 0.0499 0.0519 0.0723 0.0040 0.0044 0.0045 2.6038 3.0287 3.0145
Tramadol 2.1505 2.0843 2.0452 NA 0.0025 NA 0.0178 0.0196 0.0151
Trazodone 2.1070 2.1422 2.0725 0.0002 NA NA 0.0052 0.0042 0.0021
TREHALOSE 0.2865 0.1118 0.0959 NA 0.0469 NA 1.6222 1.2269 1.6924
Tri(butoxyethyl) phosphate 0.8576 0.7967 0.7907 1.6976 1.4834 0.7811 1.1776 0.7694 0.6459
Tributylamine 0.0338 0.0437 0.0424 3.4641 3.5764 1.7723 0.0296 0.0192 0.0186
Tricin 0.2391 NA 0.3076 NA NA NA 1.3415 1.0150 1.0012
Triethyl phosphate 2.5072 2.3318 2.3646 0.4260 0.4186 0.3505 0.0178 0.0460 0.0678
TRIMETHYLAMINE 1.3356 1.6254 1.7906 0.0584 0.0587 0.0648 1.1936 1.4440 1.4289
TRIMETHYLAMINE N-OXIDE 0.1642 0.1767 0.1550 NA NA NA 1.8541 1.8960 1.7540
Tri-N-butyl phosphate 2.8289 2.7027 2.4762 0.1977 0.1713 0.0890 0.1833 0.1885 0.1623
Triphenylphosphine oxide 1.4301 1.3984 1.3369 0.1970 0.2141 0.2176 1.7171 1.2817 1.2072
Tryptamine 0.0080 0.0074 0.0107 0.0261 0.0305 0.0231 2.5249 2.8786 3.0023
Tryptophan 1.2259 1.2615 1.2862 0.4245 0.4702 0.4065 1.1159 1.3093 1.3022
Tyramine 0.2694 0.2970 0.3099 0.0636 0.0631 0.0405 2.5631 2.4263 2.4873
Tyrosine 0.9450 0.8248 1.1614 0.9201 0.7649 1.0724 1.3898 1.2122 0.7455
URACIL 0.9755 0.9717 2.0677 1.2372 1.3297 1.0477 0.4053 0.8109 0.2830
Uric acid 1.8313 2.0226 2.0005 NA NA NA 0.0467 0.0459 0.0531
URSOCHOLIC ACID 0.8339 0.8865 0.9364 0.1172 0.1139 0.0652 2.1048 1.8731 1.7574
URSODEOXYCHOLATE 1.9114 2.1776 2.3105 0.1323 0.0630 NA 0.0336 0.0642 0.1248
Valeryl-carnitine; AIF; CE30; CorrDec 0.8586 0.2788 1.1762 0.0868 0.0877 0.0805 2.0440 2.0237 1.9040
Valine 1.3233 1.7901 1.3738 0.8828 0.9437 0.8528 0.7473 0.5483 0.5379
Valsartan 1.9954 2.3058 2.3642 0.0341 0.0258 0.0558 0.0803 0.0302 0.0232
Voacamine 1.1383 1.0182 0.7818 NA NA NA NA NA 0.8468
Walleminone 0.2172 0.7806 0.5097 0.1306 0.0042 0.1362 1.6822 1.6404 1.7322
Xanthine 0.1210 0.2775 0.5395 0.1646 0.2473 0.2720 2.2655 2.3126 2.4360
XANTHOSINE 0.0358 0.0481 0.0614 0.0114 0.0043 0.0086 2.7518 2.5381 2.5476
(Z)-3-(4-hydroxyphenyl)-N-[4-[[(E)-3-(4-hydroxyphenyl)prop-2-enoyl]amino]butyl]prop-2-enamide 0.4771 0.3904 0.3686 0.5743 NA NA 0.8747 0.9559 2.2985
(Z)-9,12,13-trihydroxyoctadec-15-enoic acid 2.0570 2.0151 2.2473 0.2153 0.4178 0.6349 0.5675 0.3221 0.4013
Run Hierarchial cluster analysis on this study | Run Heatmap cluster analysis on this study

Factors:

F1Source:Blood | MS2 CE:15V
F2Source:Blood | MS2 CE:30V
F3Source:Blood | MS2 CE:45V
F4Source:HepG2 cells | MS2 CE:15V
F5Source:HepG2 cells | MS2 CE:30V
F6Source:HepG2 cells | MS2 CE:45V
F7Source:Urine | MS2 CE:15V
F8Source:Urine | MS2 CE:30V
F9Source:Urine | MS2 CE:45V
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