Data for (Study ST001874)

(Analysis AN003036)

Values have been normalized by dividing by the sample mean across all metabolites for each experimental condition

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MetaboliteF1F2F3F4F5F6F7F8F9
1,3-Diphenylguanidine 0.1758 0.1786 0.1763 0.0012 0.0020 0.0013 0.0343 0.0342 0.0437
17beta-Trenbolone 0.0009 0.0017 0.0017 0.0012 NA 0.0015 0.0095 0.0066 0.0098
18:1(2S-OH) Ceramide 0.0130 0.0105 0.0103 0.2414 0.2475 0.2279 0.0056 0.0042 0.0084
1-AMINOCYCLOPROPANE-1-CARBOXYLIC ACID 0.0308 0.0319 0.0281 0.1277 0.1257 0.0969 0.0132 0.0143 0.0147
1-Dodecyl-2-pyrrolidinone 0.7256 0.7172 0.7213 0.0005 NA 0.0014 0.5335 0.5109 0.5031
1-heptadecanoyl-2-hydroxy-sn-glycero-3-phosphocholine 4.4526 1.9883 1.8827 1.4446 1.2923 0.8384 0.0010 0.0008 0.0007
1H-indole-3-carboxylic acid 0.0149 0.0109 0.0094 0.0010 0.0009 0.0020 0.4401 0.4441 0.4261
1-Methyladenosine 0.1800 0.1808 0.1843 0.0055 0.0040 0.0077 0.0444 0.0566 0.0555
1-Methylnicotinamide 0.0010 0.0005 0.0002 0.0000 0.0001 0.0034 0.1245 0.1288 0.1229
1-palmitoyl-2-hydroxy-sn-glycero-3-phosphoethanolamine 0.0471 0.0460 0.0389 0.2407 0.2257 0.1769 0.0002 0.0011 0.0007
1-pentadecanoyl-2-hydroxy-sn-glycero-3-phosphocholine 11.4684 12.0125 11.9693 0.5365 0.5440 0.5049 0.0009 0.0006 0.0000
1-Stearoyl-sn-glycero-3-phosphocholine 23.7497 25.5912 24.2750 47.4914 46.3610 31.7517 0.0093 0.0050 0.0040
2,2^-(Tetradecylimino)diethanol 0.0507 0.0386 0.0395 0.0477 0.3402 0.3936 0.1119 0.0696 0.0102
[2,3-di(heptadecanoyloxy)propyl] 2-(trimethylazaniumyl)ethyl phosphate 1.0670 2.9646 4.6233 48.8905 44.5590 32.3414 0.0031 0.0010 0.0009
2,8-Quinolinediol 0.0029 0.0028 0.0012 NA 0.0009 0.0014 0.0035 0.0029 0.0032
2,8-Quinolinediol; AIF; CE30; CorrDec 0.0021 0.0024 0.0017 0.0021 0.0038 0.0033 0.0248 0.0304 0.0178
2-acetoxy-4-pentadecylbenzoic acid 1.5031 1.5550 1.5772 1.3594 1.1268 0.6731 2.9757 2.9369 3.0648
2-Acetylpyrazine 0.0034 0.0042 0.0091 0.0007 0.0014 0.0171 0.0013 0.0011 0.0023
2-Aminoacetophenone 0.0036 0.0053 0.0047 0.0013 0.0020 0.0032 0.0047 0.0040 0.0024
2-Aminocaprylic acid; AIF; CE10; MS2Dec 0.1939 0.1765 0.1931 0.0211 0.0190 0.0275 0.3433 0.3383 0.3399
2-Aminocaprylic acid; LC-tDDA; CE30 0.1939 0.2023 0.1929 0.0153 0.0143 0.0210 0.2875 0.3383 0.3399
2-Aminoethanethiol 0.0015 0.0017 0.0021 NA NA NA 0.1153 0.1497 0.1489
2-Benzoxazolinone 0.0070 0.0056 0.0054 0.0008 0.0001 NA 0.1069 0.1267 0.1237
2-ETHYL-3-HYDROXY-4H-PYRAN-4-ONE 0.0023 0.0021 0.0033 NA 0.0015 0.0016 0.0677 0.0149 0.0133
2-Furoylglycine 0.0374 0.0433 0.0519 NA 0.0010 NA 0.4689 0.4632 0.4735
2-Hydroxybenzonitrile 0.0013 0.0010 0.0004 NA 0.0005 0.0001 0.0019 0.0006 0.0017
2-Hydroxycinnamic acid, predominantly trans 0.8753 0.8357 0.8528 1.0943 1.1188 0.8326 0.3016 0.2830 0.3065
2-Hydroxyisobutyric acid 0.0007 0.0015 0.0006 0.0001 0.0010 0.0003 0.0154 0.0115 0.0109
2-Hydroxyquinoline 0.0539 0.0646 0.0606 0.0537 0.0535 0.0693 0.0854 0.0834 0.0839
2-Methylpyrrolidine 0.1379 0.1239 0.1403 0.1707 0.2531 0.2097 1.8108 1.8414 1.7678
2-Naphthylamine 0.0074 0.0069 0.0057 0.0008 NA NA 0.0025 0.0017 0.0027
2-O-Methyladenosine 0.0047 0.0064 0.0086 0.0238 0.0205 0.0313 0.0327 0.0179 0.0299
2-Oxindole 0.0058 0.0027 0.0066 0.0023 0.0028 0.0026 0.1118 0.1117 0.1029
2-Oxindole; LC-tDDA; CE20 0.1644 0.1752 0.1862 0.0003 0.0022 0.0016 0.2992 0.2831 0.3051
2-Oxindole; LC-tDDA; CE30 0.0010 0.0011 0.0016 0.0025 0.0005 NA 3.8523 3.7490 3.7110
2-PHENYLACETAMIDE 0.0043 0.0067 0.0074 0.1297 0.1201 0.0877 0.0048 0.0058 0.0034
2-Piperidone 0.0762 0.0866 0.0955 0.0070 0.0061 0.0088 0.2656 0.2598 0.2522
2-Pyrrolidinone; AIF; CE10; CorrDec 0.0446 0.0618 0.0581 0.0048 0.0108 0.0081 0.0887 0.0416 0.0440
2-Pyrrolidinone; AIF; CE30; MS2Dec 0.1727 0.1741 0.1712 0.0323 0.0260 0.0233 1.9250 1.8998 1.9421
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 0.0001 0.0014 NA 0.0025 0.0042 0.0044 0.0012 NA 0.0006
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 0.0009 0.0000 0.0014 0.0095 0.0141 0.0114 NA 0.0009 0.0000
(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 0.0008 NA 0.0030 0.0065 0.0099 0.0076 0.0014 0.0001 0.0008
(2S,3S,4S,5R,6S)-3,4,5-trihydroxy-6-(5-hydroxy-4-oxo-2-phenylchromen-7-yl)oxyoxane-2-carboxylic acid NA NA 0.0009 NA NA NA 0.2273 0.3585 0.3710
3-Aminophenol; LC-tDDA; CE10 0.3486 0.4239 0.4638 0.0030 0.0011 0.0059 0.0208 0.0194 0.0164
3-AMINOSALICYLIC ACID 0.0072 0.0086 0.0073 0.0002 0.0010 NA 0.0086 0.0099 0.0156
3-Formylindole 0.3218 0.3509 0.3609 0.3174 0.3253 0.3371 0.2249 0.2677 0.2810
3?-Hydroxy-12 Ketolithocholic Acid 0.0457 0.0599 0.0601 0.0039 0.0045 0.0059 0.0144 0.0144 0.0182
3-HYDROXY-2-METHYL-4-PYRONE 0.0152 0.0067 0.0128 0.1454 0.1460 0.1353 0.0122 0.0205 0.0189
3?-Hydroxy-7 Ketolithocholic Acid 0.0289 0.0268 0.0226 NA 0.0011 0.0027 0.0511 0.0487 0.0402
3-Hydroxyanthranilic acid 0.0010 0.0017 0.0017 NA NA NA 0.1021 0.1197 0.1168
3-HYDROXYINDOLE 0.0038 0.0006 0.0012 NA NA NA 0.2474 0.2372 0.2424
3-Ketocholanic Acid 0.0063 0.0039 0.0059 0.0001 NA 0.0011 0.0004 0.0007 0.0017
3-Methyl-L-histidine 0.0272 0.0287 0.0228 0.0001 0.0001 0.0008 0.6572 0.6470 0.6291
4,6-Di-tert-butyl-m-cresol 0.0169 0.0192 0.0238 0.0005 0.0011 0.0016 0.0146 0.0173 0.0133
4-Acetamidobutanoic acid; LC-tDDA; CE30 0.1450 0.1471 0.1400 0.0172 0.0173 0.0116 2.5440 2.5320 2.5025
4-AMINOBENZOIC ACID 0.0074 0.0047 0.0072 0.0012 0.0010 0.0021 0.0220 0.0083 0.0176
4-aminobutyric acid betaine 0.2142 0.1957 0.2179 0.1002 0.1100 0.1178 0.0649 0.0625 0.0666
4-Aminohippuric acid; AIF; CE30; MS2Dec 0.0138 0.0160 0.0169 0.0007 0.0008 0.0014 2.5371 2.9954 3.0423
4-aminovaleric acid betaine 0.1697 0.1474 0.1440 0.0645 0.0356 0.0293 0.1140 0.1032 0.1167
4-Cholesten-3-one 0.1381 0.1510 0.1529 0.0542 0.0584 0.0890 0.0292 0.0419 0.0311
4-(Dimethylamino)phenylthiocyanate 0.0551 0.0683 0.0603 0.0281 0.0252 0.0356 0.0186 0.0071 0.0154
4-GUANIDINOBUTANOIC ACID 0.0053 0.0051 0.0043 0.2409 0.2434 0.1822 3.5689 3.6972 3.5615
4-Hexylresorcinol 0.0879 0.0789 0.0922 0.0568 0.0694 0.0656 0.1467 0.0647 0.0608
4-Hydroxy-6-methyl-2-pyrone 0.0050 0.0050 0.0057 0.0064 0.0062 0.0048 0.3482 0.3959 0.1625
4-Hydroxybenzoylcholine 0.2197 0.2107 0.2132 0.2057 0.2563 0.2341 0.1506 0.1898 0.2080
4-Hydroxyhippuric acid 0.0164 0.0153 0.0177 0.0016 0.0009 NA 0.0665 0.0634 0.0643
4-Hydroxyquinoline 0.0029 0.0037 0.0016 0.0108 0.0152 0.0102 0.0511 0.0566 0.0560
4-Methyl-5-thiazoleethanol 0.0029 0.0023 0.0026 0.0697 0.0743 0.0422 0.2375 0.2299 0.2400
4-Nonylphenol 0.0012 0.0016 0.0036 NA NA NA 0.0031 0.0012 0.0017
4-PYRIDOXIC ACID 0.0983 0.1028 0.0940 0.0037 0.0029 0.0056 0.4497 0.4528 0.4458
4-QUINOLINECARBOXYLIC ACID 0.0015 0.0017 0.0008 0.1395 0.1390 0.1424 0.0144 0.0125 0.0159
(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 0.0009 0.0009 0.0019 0.0055 0.0026 0.0011 0.0016 0.0009
(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 0.0000 0.0010 0.0011 0.0031 0.0057 0.0040 0.0006 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 0.0012 0.0001 0.0001 0.0130 0.0104 0.0028 NA NA 0.0007
(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 0.0033 0.0035 0.0070 0.0008 0.0012 0.0014 0.0020 0.0021 0.0020
5,6-Benzoflavone 0.0020 0.0013 0.0010 0.0228 0.0224 0.0251 0.0011 0.0008 0.0004
5-Aminovaleric acid 6.2867 6.2001 6.1112 0.9059 1.0008 1.4770 0.2936 0.2954 0.3027
5?-CHOLANIC ACID-3?_ 6?_7?-TRIOL 0.0024 0.0022 0.0017 0.0015 NA 0.0000 0.0035 0.0017 0.0014
5-HYDROXYINDOLE 0.0017 0.0031 0.0040 0.0009 0.0018 0.0001 0.0049 0.0049 0.0028
5-HYDROXYINDOLEACETATE 0.0009 0.0023 0.0014 0.0005 NA 0.0001 0.0065 0.0061 0.0059
5-Hydroxyindoleacetic acid 0.1104 0.1201 0.1185 0.0426 0.0435 0.0695 0.1550 0.1537 0.1539
5-Hydroxyindoleacetic acid; LC-tDDA; CE10 0.0026 0.0037 0.0044 0.0109 0.0153 0.0293 0.1038 0.1255 0.1181
5-OHMe-Ur 0.0857 0.0810 0.0908 0.0079 0.0092 0.0092 0.9337 0.8991 0.8785
5-OXO-D-PROLINE 0.0025 0.0033 0.0035 0.0019 0.0099 0.0143 0.6707 0.6720 0.6766
5-OXO-L-PROLINE 0.0038 0.0044 0.0045 0.0109 0.0121 0.0141 0.5471 0.5376 0.2403
5-S-Methylthioadenosine; LC-tDDA; CE10 0.0026 0.0014 0.0016 0.0573 0.1015 0.0556 0.1100 0.0267 0.0247
5-S-Methylthioadenosine; LC-tDDA; CE30 0.0589 0.0607 0.0658 0.3769 0.3227 0.4295 0.5101 0.6121 0.6347
5-S-Methylthioadenosine; LC-tDDA; CE40 0.0499 0.0439 0.0656 0.3769 0.3691 0.4308 0.5107 0.6123 0.6328
5-VALEROLACTONE 0.0102 0.0096 0.0076 0.0029 0.0015 0.0025 0.0033 0.0029 0.0040
6-Ethoxy-2,3,4-trimethyl-1,2,3,4-tetrahydroquinoline 0.0039 0.0062 0.0066 NA NA NA 0.0078 0.0057 0.0055
6-(gamma,gamma-Dimethylallylamino)purine riboside 0.0016 0.0014 0.0014 0.0057 0.0052 0.0048 0.0540 0.0172 0.0161
7-Diethylamino-4-methylcoumarin 0.0011 0.0025 0.0021 0.0009 0.0013 0.0000 0.0018 0.0005 0.0008
7-Oxocholesterol 0.0485 0.0491 0.0453 0.2272 0.2281 0.1896 0.0092 0.0096 0.0090
8-Hydroxyquinoline 0.0040 0.0030 0.0035 0.0010 0.0010 0.0026 0.0077 0.0081 0.0091
(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 0.0027 0.0023 0.0047 NA NA NA 0.0308 0.0235 0.0281
9-OH-Risperidone 0.0576 0.0635 0.0621 0.0000 NA NA 0.0094 0.0083 0.0090
Acetaminophen 6.7352 7.7941 7.9633 0.0039 0.0052 0.0052 0.0089 0.0240 0.0139
ACETYL-CARNITINE 15.3184 14.5771 14.1858 2.2278 2.2027 3.4167 0.3199 0.3064 0.3140
Acetyl tributyl citrate 0.3686 0.3504 0.3671 8.6397 5.9965 2.0779 0.0666 0.0683 0.0595
ACRYLAMIDE 0.0016 0.0023 0.0019 0.0467 0.0524 0.0477 0.0027 0.0047 0.0085
Adenine 0.0513 0.0444 0.0521 0.0152 0.0141 0.0736 0.3977 0.4114 0.3847
Adenosine 0.0087 0.0074 0.0077 0.7859 0.7870 0.6360 0.2575 0.2494 0.2506
Adenosine monophosphate (AMP) NA 0.0010 0.0001 0.0251 0.0258 0.0191 0.0015 0.0016 0.0012
Adipoyl-carnitine; LC-tDDA; CE20 0.0843 0.0976 0.1144 0.0050 0.0072 0.0048 8.5918 4.0876 6.8305
Adipoyl-carnitine; LC-tDDA; CE30 0.4226 0.4285 0.4053 0.0001 0.0018 0.0009 0.0217 0.0250 0.0184
Adipoyl-carnitine; LC-tDDA; CE40 0.0129 0.0181 0.0259 0.0010 0.0010 0.0002 2.5504 1.8573 1.7616
Ala-Leu 0.0087 0.0074 0.0083 0.0016 0.0032 0.0010 0.0354 0.0353 0.0210
Alanine betaine 0.0459 0.0635 0.0540 0.0065 0.0077 0.0640 0.2242 0.2320 0.2303
Alanyl-Leucine; AIF; CE10; MS2Dec 0.0075 0.0068 0.0072 0.0109 0.0121 0.0208 0.0272 0.0280 0.0341
Alliin; LC-tDDA; CE20 0.0223 0.0215 0.0197 0.0010 0.0011 NA 1.5236 1.5355 1.5430
Aloe-emodin 0.1945 0.1787 0.1755 NA NA NA NA NA NA
alpha-Hederin 0.0025 0.0029 0.0024 0.3707 0.3343 0.3477 0.0008 0.0009 0.0012
ALPHA-N-ACETYL-GLUTAMINE 0.0045 0.0041 0.0029 0.0048 0.0040 0.0068 0.0273 0.0243 0.0283
alpha-TOCHOPHERYL ACETATE 0.0021 0.0014 0.0010 0.0020 0.0043 0.0200 0.0047 0.0069 0.0072
AM580 0.0020 0.0020 0.0019 NA 0.0001 0.0013 0.0012 0.0008 0.0011
Amphetamine 0.0086 0.0091 0.0087 0.1030 0.1066 0.1534 0.0110 0.0110 0.0160
Androsterone 38.0036 40.0629 40.8994 1.2221 1.8779 2.3758 22.0204 22.7006 22.5532
Aniline; AIF; CE30; CorrDec 0.0686 0.0742 0.0849 0.0411 0.0468 0.0227 0.0662 0.0759 0.0662
Anthranilic acid 0.0045 0.0083 0.0051 0.0009 0.0027 0.0026 0.0081 0.0136 0.0135
Arachidonoyl-carnitine; LC-tDDA; CE20 0.0596 0.0596 0.0631 0.0114 0.0096 0.0107 0.0022 0.0011 0.0032
Arachidonoyl-carnitine; LC-tDDA; CE40 0.0093 0.0053 0.0057 0.0113 0.0071 0.0082 0.0022 0.0014 0.0011
Aspartate 0.0037 0.0023 0.0030 0.1779 0.2029 0.1691 0.0030 0.0035 0.0035
ASP-PHE 0.0062 0.0048 0.0068 0.0016 0.0010 0.0004 0.4709 0.5448 0.5602
Assymetrical dimethylarginine 0.1975 0.1778 0.2075 0.0043 0.0057 0.0180 2.9704 2.8488 2.7922
ATENOLOL 0.5714 0.6304 0.6510 NA NA NA 0.0053 0.0090 0.0107
Atenolol acid 0.2983 0.3127 0.3188 0.0011 0.0009 0.0013 0.0132 0.0061 0.0161
Atrazine-Desisopropyl 0.0067 0.0094 0.0088 0.0098 0.0114 0.0121 0.0137 0.0153 0.0159
Benzoylcholine 0.2121 0.1944 0.2011 0.0057 0.0065 0.0251 0.1480 0.1514 0.1465
Benzoylecgonine 2.0481 2.3768 2.5801 0.0006 0.0012 NA 0.0126 0.0199 0.0183
Betaine 1.2856 1.6839 1.1875 1.1254 1.4650 1.6293 0.0887 0.1749 0.0861
Betaine; CE30 0.4741 0.5763 0.4285 0.7289 0.8192 1.4822 0.6832 0.3548 0.6389
Biliverdin 2.1514 1.9814 1.8252 0.0567 0.0540 0.0761 0.0090 0.0081 0.0066
BIOTIN 0.0034 0.0033 0.0017 0.0694 0.0904 0.0793 0.0469 0.0425 0.0512
BUTANAL 0.0374 0.0415 0.0502 0.0007 0.0044 0.0061 0.0036 0.0042 0.0032
Butylisopropylamine 0.0004 0.0009 0.0009 0.1352 0.1732 0.3464 0.0015 0.0015 0.0001
Butyryl-carnitine; AIF; CE10; MS2Dec 1.3580 0.7511 2.5622 0.3833 0.3459 0.2541 98.7436 97.9545 96.6689
Butyryl-carnitine; AIF; CE30; CorrDec 1.9987 1.6512 2.1024 10.5191 10.1906 14.1275 2.9716 1.4256 1.3056
Butyrylglycine 0.1342 0.1687 0.1803 0.0059 0.0089 0.0102 0.0380 0.0308 0.0337
C10-homoserine lactone 0.0443 0.0347 0.0417 NA NA NA 0.0140 0.0132 0.0127
C18 Dihydroceramide (d18:0/18:0) 0.0508 0.0467 0.0399 0.2147 0.1965 0.1467 0.0069 0.0066 0.0038
Caffeine 9.9516 12.1445 12.9558 0.0122 0.0100 0.0122 0.0124 0.0108 0.0146
Ceramide (18:1/16:0) 0.0153 0.0140 0.0149 0.2604 0.2653 0.2517 0.0291 0.0202 0.0186
Ceratodictyol 0.0022 0.0013 0.0011 NA NA 0.0002 0.0021 0.0024 0.0025
Cetirizine 0.4716 0.4428 0.4326 NA NA NA 0.0009 0.0022 0.0015
CHOLATE 0.0265 0.0243 0.0220 NA NA NA 0.0980 0.0927 0.0924
Cholest-4,6-Dien-3-One 0.2186 0.2160 0.2200 0.0156 0.0168 0.0162 0.0071 0.0037 0.0078
Cholesterol 1.8286 1.9530 2.1267 0.0033 0.0016 0.0029 0.0048 0.0066 0.0042
Cholic acid 0.0084 0.0063 0.0066 0.0046 0.0017 0.0035 0.0339 0.0306 0.0349
Choline 0.0114 0.0121 0.0117 0.1220 0.1077 0.1168 0.0155 0.0117 0.0072
CINNAMIC ACID 0.4496 0.4378 0.4453 1.4126 1.4972 2.1493 0.2171 0.2419 0.2265
cis-Urocanic acid 0.0989 0.0992 0.1041 0.0154 0.0159 0.0151 0.2205 0.2056 0.2083
Citalopram 0.2924 0.2766 0.2709 NA NA NA 0.0121 0.0079 0.0105
Codeine 0.0022 0.0033 0.0034 NA 0.0000 NA 0.0047 0.0033 0.0011
cordycepin 0.0058 0.0051 0.0050 0.0040 0.0040 0.0128 0.0205 0.0298 0.0322
CORTICOSTERONE 0.0194 0.0165 0.0155 NA NA NA 0.0126 0.0127 0.0091
Cortisone 0.0027 0.0027 0.0014 NA NA NA 0.0190 0.0097 0.0182
Cotinine 1.4738 1.4870 1.4876 0.0011 0.0008 0.0012 0.0152 0.0161 0.0128
CP-642931 0.0208 0.0061 0.0158 0.0006 0.0011 0.0023 0.0141 0.0181 0.0227
CREATINE 0.3940 0.4130 0.4006 2.3036 2.3181 1.7038 0.0900 0.0814 0.0799
CREATININE 1.0675 0.6889 0.4933 0.0167 0.0102 0.0213 0.3540 0.4086 0.6094
CROTONIC ACID 0.0285 0.0302 0.0321 0.0146 0.0386 0.0722 0.0309 0.0465 0.0355
Crystal violet 0.0172 0.0059 0.0081 0.0003 0.0007 0.0042 0.0009 0.0036 0.0024
Cyclohexylamine; AIF; CE10; CorrDec 0.0763 0.0758 0.0679 0.0055 0.0073 0.0082 0.0485 0.0626 0.0578
Cyclo(Leu-Pro) 0.1344 0.1602 0.1852 0.1556 0.1426 0.2035 0.0473 0.0445 0.0372
CYS-GLY 0.0010 0.0011 0.0009 0.0550 0.0500 0.0544 0.0050 0.0046 0.0036
Cysteine 0.0005 0.0008 0.0010 0.0011 0.0013 0.0021 0.0070 0.0123 0.0150
Cysteinylglycine 0.0009 0.0008 0.0028 0.1455 0.1350 0.1478 0.0079 0.0099 0.0095
Cytosine 0.0180 0.0210 0.0187 0.0045 0.0042 0.0075 0.1302 0.1328 0.1296
Daidzein 0.0012 0.0011 NA 0.0006 NA 0.0013 0.0659 0.0615 0.0674
Decaethylene glycol 0.0243 0.0202 0.0200 0.0142 0.0111 0.0125 0.1116 0.1067 0.0991
DECANOYLCARNITINE 2.2413 2.1078 2.0993 0.0053 0.0083 0.0275 2.0004 2.0017 1.9682
Decanoyl-L-Carnitine 0.1559 0.1133 0.1631 0.5695 0.5848 0.8857 0.5712 0.2427 0.2245
Decanoyl-L-carnitine D3 27.2804 26.0898 26.2244 0.1618 0.3273 0.6492 26.6698 27.1155 26.6030
DEET 0.0137 0.0156 0.0079 NA NA 0.0019 0.0246 0.0218 0.0159
DEOXYCARNITINE 0.0693 0.0784 0.0601 0.1026 0.0888 0.0731 0.1836 0.1173 0.1177
DEOXYCHOLATE 0.0353 0.0209 0.0220 0.0367 0.0339 0.0293 0.0085 0.0069 0.0083
deoxycholic acid 0.0044 0.0028 0.0042 NA 0.0011 0.0018 0.0013 0.0023 0.0044
deoxycommendamide (putative) or in source fragment -H2O observed in AGP sample 0.0083 0.0089 0.0086 0.0015 0.0010 NA 0.0028 0.0025 0.0009
Deoxykhivorin 0.0007 0.0008 NA NA NA NA 0.0000 NA 0.0004
DEP_178.1226_15.3 0.0861 0.0846 0.0780 0.0377 0.0771 0.2315 0.0929 0.0870 0.0876
D-(+)-Glucosamine 0.0043 0.0056 0.0047 0.0044 0.0062 0.0135 0.2676 0.0451 0.0460
Diazepam 0.2164 0.2147 0.2145 NA NA NA 0.0014 0.0010 0.0016
Dibutyl phthalate 0.4836 0.4912 0.5051 0.3115 0.2798 0.1844 0.1374 0.1150 0.1656
Dibutylphthalate 0.3665 0.4816 0.4611 0.0196 0.0076 0.0405 0.3204 0.2945 0.5290
DIBUTYL SEBACATE 0.0063 0.0072 0.0079 0.0007 0.0018 0.0030 0.0012 0.0026 0.0006
Dicoumaroyl Spermidine 0.0008 0.0010 0.0021 0.0010 0.0000 0.0000 0.5207 0.3272 0.2617
Dicyclohexylamine 0.0361 0.0442 0.0438 0.0548 0.0520 0.0387 0.0359 0.0440 0.0378
Dicyclohexylurea 0.0081 0.0092 0.0097 0.0013 0.0017 0.0045 0.0070 0.0089 0.0088
Diethyl-phthalate 1.4204 1.6166 1.6983 NA NA 0.0008 0.2958 0.2607 0.2588
Diferuloyl putrescine 0.0008 0.0017 0.0005 NA NA NA 0.0071 0.0083 0.0103
Dihydrosphingosine 0.0065 0.0066 0.0059 0.5798 0.4542 0.4500 0.0082 0.0043 0.0054
Diisobutyl phthalate 0.4890 0.4930 0.4847 0.0063 0.0136 0.0350 0.2351 0.4269 0.1860
Dimethyl sulfoxide 0.0422 0.0328 0.0394 0.0148 0.0166 0.0136 0.1958 0.1978 0.2018
Dimethyl??sulfoxide 0.1473 0.1526 0.1626 0.0347 0.0363 0.0271 0.0202 0.0203 0.0212
dimethyl(tetradecyl)amine 0.0524 0.0480 0.0449 0.0012 0.0000 0.0016 0.0418 0.0307 0.0273
Di-n-butyl phthalate 0.1768 0.1656 0.1788 0.0059 0.0064 0.0282 0.3469 0.2594 0.1855
Dioctyl Phthalate 0.4386 0.6482 0.4878 0.0064 0.0027 0.0026 0.2669 0.3331 0.4283
Diosgenin 0.0071 0.0046 0.0055 0.0695 0.0524 0.0770 0.0025 0.0025 0.0021
Diphenylamine 0.0077 0.0047 0.0079 0.0020 0.0014 0.0019 0.0080 0.0062 0.0037
Diphenylphosphine oxide 0.0018 0.0021 0.0022 0.0548 0.0538 0.0701 NA 0.0011 0.0007
DL-Norleucine 0.0318 0.0265 0.0271 0.3374 0.3330 0.1765 0.2164 0.2143 0.2090
DodeDecanoyl-L-carnitine D3 0.0033 0.0016 0.0033 0.2007 0.1922 0.2779 0.0017 0.0019 0.0014
D-ribo-Phytosphingosine 0.0024 0.0019 0.0015 0.0970 0.0854 0.1064 0.0032 0.0016 0.0032
D-sphingosine 0.0185 0.0181 0.0169 2.2748 1.8600 0.9457 0.0130 0.0124 0.0056
Ecgonine-methyl-ester (EME) 0.0111 0.0177 0.0202 0.0012 0.0011 0.0016 0.0524 0.0501 0.0594
Enterodiol 0.0666 0.0757 0.0831 0.1251 0.1024 0.1930 2.4982 2.7960 2.7260
Epigallocatechin NA 0.0010 NA 0.0014 0.0017 0.0071 0.0028 0.0042 0.0024
Erucamide 1.6583 1.6237 1.6839 2.7118 2.6337 4.7438 0.9894 0.9849 0.9756
Ethyl 3-(N-butylacetamido)propionate 0.1325 0.1244 0.1472 0.2846 0.3070 0.4755 0.0501 0.0553 0.0491
Exemestane 0.0012 0.0013 0.0011 0.0027 0.0019 0.0042 0.0212 0.0217 0.0138
FAD 0.0010 NA NA 0.1134 0.1148 0.1453 0.0060 0.0067 0.0070
Fenpropimorph 0.0039 0.0020 0.0016 0.0010 NA NA 0.0013 0.0017 0.0024
FERULATE 0.0026 0.0017 0.0015 NA NA NA 0.0015 0.0011 0.0012
Flavin??adenine??dinucleotide NA NA NA 0.0934 0.0718 0.1357 0.0033 0.0009 0.0007
Flavone base + 3O, O-HexA NA 0.0012 0.0000 NA NA NA 0.0645 0.0629 0.0663
Fluvoxamine 0.0013 0.0008 0.0019 0.0000 0.0001 0.0005 0.0229 0.0252 0.0211
Folic acid 0.0011 NA NA 0.0581 0.0605 0.0797 0.0028 0.0021 0.0016
Gabapentin 0.5397 0.5790 0.6358 NA NA NA 0.0038 0.0099 0.0053
Gabapentin-lactam 0.0894 0.0985 0.0993 0.0010 0.0005 0.0016 0.0006 0.0013 0.0010
GAMMA-CAPROLACTONE 0.1044 0.0890 0.0823 0.1461 0.1478 0.1192 0.0890 0.0936 0.0822
Gamma-glutamylcysteine 0.0009 0.0001 0.0031 0.0124 0.0099 0.0153 0.0015 0.0023 0.0013
gamma-Glutamylleucine 0.2635 0.2618 0.2760 0.7407 0.8795 1.3805 1.1805 1.3769 1.3723
Genistein 0.0010 0.0010 NA NA NA NA 0.0201 0.0171 0.0164
Gentisyl alcohol 0.0024 0.0037 0.0023 NA NA NA 0.1065 0.1324 0.1280
Glutamate 0.0015 0.0017 0.0005 0.0016 0.0017 0.0000 0.0295 0.0334 0.0377
GLUTAMIC ACID 0.0211 0.0167 0.0127 0.0218 0.0218 0.0522 0.0114 0.0120 0.0149
Glutamic acid gamma methyl ester 0.0399 0.0336 0.0401 0.5685 0.6164 1.2298 0.1471 0.1462 0.1473
Glutamine 0.0021 0.0012 0.0042 0.0022 0.0045 0.0029 0.2789 0.2778 0.2842
Glutamine; AIF; CE10; CorrDec 0.0017 0.0030 0.0025 0.0010 0.0016 0.0019 0.7331 0.7505 0.7662
Glutamine; LC-tDDA; CE40 0.0021 0.0025 0.0034 0.0025 0.0035 0.0063 0.4109 0.4982 0.5272
Glutamylphenylalanine (isomer of 1503) 0.0551 0.0572 0.0534 0.3759 0.5066 0.7913 0.2239 0.2517 0.2406
Glutaryl-carnitine; AIF; CE30; MS2Dec 0.0427 0.0559 0.0494 0.0008 0.0014 0.0006 1.0266 1.0050 0.9979
Glutathione 0.0007 0.0015 0.0007 4.4986 4.6918 5.5701 0.0038 0.0034 0.0043
Glutathione oxidized 0.0005 0.0001 0.0007 0.2282 0.2368 0.3881 0.0006 0.0021 0.0010
GLYCEROL-MYRISTATE 0.0018 0.0002 NA NA NA NA 0.0007 0.0008 0.0011
Glycitein 0.0003 0.0013 0.0000 NA NA NA 0.3764 0.3813 0.3774
GLYCOCHENODEOXYCHOLIC ACID 0.0014 0.0007 0.0010 NA NA NA 0.0074 0.0078 0.0086
GLYCOCHOLATE 0.1044 0.1048 0.0998 0.0118 0.0127 0.0199 0.0143 0.0153 0.0111
Glycohyocholic acid 0.4400 0.4276 0.4301 0.0300 0.0324 0.0635 0.0984 0.0931 0.0897
Glycohyodeoxycholic acid 0.4156 0.4439 0.4483 0.0396 0.0361 0.0349 0.0078 0.0053 0.0057
Glycyl-L-proline 0.0019 0.0007 0.0018 0.0013 0.0011 0.0001 0.0013 0.0013 0.0004
Glycyl-proline; LC-tDDA; CE20 0.0021 0.0053 0.0024 0.0012 0.0004 NA 0.2005 0.1968 0.1828
Gly-Leu 0.0024 0.0026 0.0039 0.0344 0.0360 0.0589 0.0125 0.0123 0.0180
Guanine 0.0234 0.0135 0.0134 0.0067 0.0119 0.0039 0.0081 0.0048 0.0026
Guanosine 0.0012 0.0016 0.0024 0.0350 0.0377 0.0556 0.0253 0.0258 0.0252
h_60_epimethendiol 0.0662 0.0543 0.0658 0.0079 0.0053 0.0029 0.0009 0.0017 0.0003
Hexanoyl-carnitine; AIF; CE30; CorrDec 0.0264 0.0278 0.0272 0.0004 0.0005 0.0008 1.1969 1.1861 1.1805
HEXANOYLGLYCINE 0.0075 0.0052 0.0088 0.0001 0.0010 0.0013 0.0805 0.0760 0.0794
Hexanoyl-L-Carnitine 0.0486 0.0575 0.0626 0.0170 0.0169 0.0239 1.5730 1.5970 1.5855
Hippuric acid 0.5772 0.6904 0.7390 0.0627 0.0811 0.1263 14.1502 14.0417 14.0988
Hirsuteine 0.0253 0.0291 0.0273 0.0029 0.0016 0.0017 0.0011 0.0018 0.0013
Histidine 0.1617 0.1787 0.1825 0.0277 0.0287 0.0269 0.5360 0.5154 0.5270
Homoserine 0.0383 0.0223 0.0282 0.0271 0.0304 0.0226 0.2790 0.2796 0.2798
Homostachydrine 0.2070 0.2230 0.2239 0.0281 0.0232 0.0175 0.0355 0.0247 0.0426
HP-921; CE30; DDA; WAVNXLRSYAMQNY-UHFFFAOYSA-N 5.6947 3.8828 4.6121 5.8821 3.8037 4.5827 3.6476 5.6390 6.7398
hyocholic acid 0.0017 0.0011 0.0010 0.0018 0.0002 0.0001 0.0052 0.0041 0.0048
Hypoxanthine 0.0057 0.0080 0.0047 0.0130 0.0107 0.0162 0.0299 0.0501 0.0469
Indole-3-acetyl-L-alanine 0.0042 0.0035 0.0039 NA 0.0019 0.0003 0.4904 0.4649 0.4893
Indole-3-carbinol 0.8019 0.9467 1.0151 0.0085 0.0103 0.0125 0.0530 0.0574 0.0512
Indole-3-carboxyaldehyde 0.0809 0.1139 0.1164 0.0498 0.0474 0.0728 0.0895 0.0890 0.0985
INDOLE-3-ETHANOL 0.0035 0.0041 0.0093 0.0009 NA 0.0013 0.0049 0.0039 0.0042
INDOLEACETIC ACID 0.0029 0.0035 0.0036 0.0009 NA NA 0.3842 0.4019 0.4005
Indoline 0.0041 0.0080 0.0105 0.0028 0.0043 0.0014 0.0016 0.0028 0.0059
INOSINE 0.0025 0.0036 0.0013 0.0547 0.0606 0.0941 0.0350 0.0301 0.0228
Isobutyryl-carnitine; LC-tDDA; CE10 2.7048 2.8382 2.8493 10.5165 10.1719 14.1243 5.5955 2.3328 2.1483
Isoleucine 0.2397 0.2365 0.2294 0.0845 0.1147 0.0854 0.3580 0.4178 0.4149
Isotalatizidine 0.0017 0.0022 0.0009 NA NA 0.0019 0.0145 0.0109 0.0096
IS_PHENYLALANINE-2,3,4,5,6-D5 4.7377 4.7762 4.8074 2.2650 2.5746 4.0627 2.2350 2.2770 2.2570
IS_TRYPTOPHAN-2,4,5,6,7-D5 12.7857 13.3450 13.4716 9.4571 10.2436 12.9472 4.4217 5.2499 5.2494
Kynurenic acid 0.0022 0.0012 0.0017 0.0013 NA 0.0001 0.0282 0.0290 0.0206
KYNURENINE 0.5777 0.6217 0.6270 0.1064 0.1212 0.1655 0.8200 0.8128 0.7926
Lactamide 0.0598 0.0657 0.0530 0.0551 0.0514 0.0841 0.0402 0.0430 0.0538
LACTULOSE 0.0002 0.0003 0.0010 0.0000 0.0000 0.0002 0.0133 0.0061 0.0133
L(+)-Arginine 0.2245 0.2302 0.2445 0.0138 0.0144 0.0161 0.0138 0.0147 0.0151
Lauramidopropyl betaine 0.5471 0.5869 0.5869 0.5808 0.6557 0.6721 0.1178 0.0901 0.0788
LAUROYLCARNITINE 0.8785 0.5682 0.5342 0.1292 0.8108 1.9907 0.1923 0.1715 0.1317
Lauryl diethanolamide 0.1312 0.1383 0.1490 0.1666 0.1460 0.1433 0.0120 0.0112 0.0080
Lauryldiethanolamine 1.4519 1.3959 1.3262 0.0805 0.1932 0.2154 0.5580 0.3739 0.2481
Lauryldimethylamine Oxide 0.2002 0.2174 0.2014 0.0000 0.0004 0.0009 0.0439 0.0357 0.0383
L-beta-Homoleucine 0.0098 0.0094 0.0025 0.3693 0.3961 0.5489 0.0189 0.0223 0.0280
L-Carnitine 3.4446 3.4053 3.4533 0.5765 0.5972 0.5668 0.3453 0.2981 0.3176
lenticin 5.2545 6.5307 7.0968 0.0289 0.0309 0.0359 3.2251 3.7625 3.7746
L-(+)-Ergothioneine 0.0017 0.0015 0.0026 NA NA NA 0.0041 0.0028 0.0014
Leucine 0.0324 0.0301 0.0345 0.0761 0.0955 0.0759 0.1194 0.1206 0.1293
Leucine_Enkephalin 2.2946 2.4807 2.6299 0.0096 0.0102 0.0407 1.7293 1.7340 1.7023
Leucyl-leucine; LC-tDDA; CE10 0.0114 0.0080 0.0094 0.0110 0.0108 0.0138 0.0373 0.0362 0.0267
L-Glutamine 0.0002 0.0007 0.0023 0.0028 0.0033 0.0032 0.1264 0.1250 0.0661
L-Histidine 0.0967 0.0962 0.0910 0.0887 0.0818 0.1204 0.3274 0.3310 0.2969
LID_235.1805_10.1 0.0522 0.0499 0.0505 0.0001 0.0002 0.0004 0.0027 0.0029 0.0028
Lidocaine-N-Oxide 0.0007 0.0020 0.0015 0.0010 0.0000 NA 0.0092 0.0088 0.0069
?-linolenic acid 0.0076 0.0032 0.0032 NA NA NA 0.0045 0.0044 0.0026
Linoleyl-carnitine; AIF; CE30; CorrDec 0.0379 0.0229 0.0223 0.0191 0.0396 0.2020 0.0010 0.0004 0.0017
Linoleyl-carnitine; LC-tDDA; CE20 1.8439 2.2432 2.2955 0.0037 0.0005 0.0006 0.0014 0.0010 0.0004
L-Isoleucine 0.1612 0.1603 0.1975 0.1538 0.1932 0.1651 0.0437 0.0596 0.0307
L-Methionine 2.5735 2.4759 2.4707 1.6576 1.7905 1.8702 0.4607 0.4504 0.4328
Loliolide 0.0478 0.0504 0.0552 0.0763 0.0831 0.0774 0.0898 0.0830 0.1011
L-Ornithine 0.0503 0.0524 0.0516 0.0012 0.0011 0.0019 0.0044 0.0071 0.0058
LPC 16:0 23.8321 23.2583 23.1109 14.6249 12.7042 5.1839 0.0006 0.0010 0.0006
LPC 18:1 44.1259 41.7058 39.7165 1.6857 1.5050 1.2310 0.0013 0.0006 0.0004
LPC 18:2 8.4562 8.9097 8.7406 0.1197 0.1071 0.0885 0.0027 0.0033 0.0018
LPC 18:3 1.8605 1.9451 1.9654 0.0188 0.0177 0.0113 0.0017 0.0016 0.0017
L-Pipecolic acid 1.0804 1.0740 1.0810 0.0457 0.0504 0.0795 0.0616 0.0734 0.0703
LUMICHROME 0.0032 0.0033 0.0058 0.4753 0.4397 0.5547 0.0056 0.0028 0.0030
LYSINE 0.1412 0.1297 0.1279 0.0399 0.0390 0.0323 0.0925 0.0923 0.0851
LysoPC(0:0/18:0) 1.0637 0.7838 0.6220 0.0451 0.0359 0.0474 0.0008 0.0012 0.0016
MAG 0.6529 0.6229 0.6277 0.0270 0.0246 0.0207 0.0017 0.0019 0.0027
Maltol 0.0029 0.0061 0.0142 2.2705 2.3205 1.4548 0.0796 0.1020 0.0941
maltotriose NA NA 0.0000 NA NA NA 0.0009 0.0017 0.0001
Mefenamic acid 0.6643 0.7429 0.7662 0.0381 0.0392 0.0520 0.1051 0.1040 0.1032
Methionine 0.0051 0.0044 0.0021 0.0343 0.0399 0.0442 0.0266 0.0242 0.0209
Methylhippuric acid 0.0047 0.0052 0.0062 0.4261 0.5126 0.6241 0.5049 0.5017 0.4964
Methyl-hippuric acid; LC-tDDA; CE20 0.0054 0.0048 0.0074 0.0012 0.0012 0.0015 0.1002 0.1145 0.1161
Methylimidazoleacetic acid; LC-tDDA; CE40 0.0098 0.0131 0.0143 0.0008 0.0009 0.0005 0.0642 0.0692 0.0640
Methyl Salicylate 0.0041 0.0061 0.0077 0.0006 0.0012 0.0030 0.0699 0.0194 0.0174
Methyl trans-styryl ketone 0.0023 0.0008 0.0020 1.3690 1.0381 0.7624 0.0008 0.0005 0.0018
Methyltyrosinate 0.0067 0.0089 0.0100 0.4384 0.4266 0.4441 0.0951 0.1045 0.1003
MMV688990 0.0115 0.0159 0.0117 0.3118 0.2959 0.2138 0.0044 0.0038 0.0032
Mono-iso-butyl phthalate 0.0525 0.0709 0.0531 0.0111 0.0099 0.0094 0.1818 0.1991 0.1927
monoolein 0.0130 0.0143 0.0157 0.0142 0.0090 0.0126 0.0019 0.0012 0.0011
Morphine_3_Glucuronide NA NA 0.0010 0.0009 0.0002 0.0001 0.0924 0.0928 0.0878
Myristamidopropyl betaine 0.0689 0.0895 0.0856 0.1034 0.1024 0.0650 0.0031 0.0019 0.0031
Myristoyl-carnitine; AIF; CE10; MS2Dec 0.0139 0.0153 0.0201 6.5696 5.8715 3.0676 0.0031 0.0026 0.0032
Myristoyl-carnitine; LC-tDDA; CE30 0.8449 0.9001 0.9079 0.0259 0.0320 0.0406 0.0029 0.0031 0.0030
N-[1,3-dihydroxyoctadec-4-en-2-yl]tetracos-15-enamide 0.1439 0.1553 0.0741 0.3514 0.2879 0.1764 0.0023 0.0027 0.0014
N-(1,3-dihydroxyoctadec-4-en-2-yl)tetradecanamide 0.0159 0.0180 0.0136 0.0227 0.0267 0.0306 0.0075 0.0046 0.0060
N1-ACETYLSPERMINE 0.0012 0.0010 0.0005 0.0082 0.0053 0.0063 0.0063 0.0059 0.0069
N1-Methyl-4-pyridone-3-carboxamide; AIF; CE10; CorrDec 2.1665 2.2237 2.3618 0.0434 0.0436 0.0516 3.5830 3.5235 3.4876
N-(2,4-Dimethylphenyl)formamide 0.0484 0.0263 0.0856 0.0423 0.0459 0.0606 0.0380 0.0462 0.0381
N2,N2-Dimethylguanosine 0.0123 0.0125 0.0143 0.0296 0.0381 0.0480 1.5315 0.4107 0.4197
N-[3-(Dimethylamino)propyl]dodecanamide 0.0517 0.0547 0.0492 0.0001 0.0005 0.0002 0.0243 0.0233 0.0235
N6-(DELTA2-ISOPENTENYL)-ADENINE 0.0030 0.0058 0.0052 0.0184 0.0164 0.0178 0.0307 0.0381 0.0350
N6-Methyladenosine 0.0213 0.0233 0.0215 0.0010 0.0014 0.0064 0.1192 0.1196 0.1077
N6-Succinyladenosine; AIF; CE30; MS2Dec 0.0019 0.0043 0.0011 0.0002 0.0004 0.0115 0.0110 0.0084 0.0073
N6-Threonylcarbamoyladenosine 0.0111 0.0126 0.0133 0.0815 0.1167 0.1279 1.6494 2.0378 2.0422
N-Acetyl-5-hydroxytryptamine 0.0106 0.0061 0.0201 0.4559 0.4381 0.6000 0.0236 0.0151 0.0172
N-ACETYL-ASPARTIC ACID 0.0014 0.0000 0.0010 0.0584 0.0792 0.1326 0.0061 0.0063 0.0056
N-Acetyl-cysteine; LC-tDDA; CE20 0.0001 0.0009 0.0011 0.0059 0.0086 0.0146 0.1208 0.0242 0.0239
N-Acetyl-cysteine; LC-tDDA; CE30 0.0017 0.0026 0.0014 0.0059 0.0086 0.0146 0.5111 0.5905 0.5860
N-Acetyl-cysteine; LC-tDDA; CE40 0.0000 0.0017 0.0012 NA NA NA 0.0333 0.0250 0.0314
N-Acetylcytidine 0.0222 0.0259 0.0289 0.0180 0.0248 0.0387 1.0886 1.2531 1.2671
N-ACETYLGALACTOSAMINE 0.0016 0.0028 0.0037 0.0444 0.0425 0.0510 0.0136 0.0093 0.0115
N-Acetylglutamic acid 0.0614 0.0560 0.0476 0.0215 0.0248 0.0318 0.0331 0.0365 0.0381
N-Acetyl-leucine; LC-tDDA; CE10 0.0160 0.0140 0.0172 0.0214 0.0240 0.0355 0.5057 0.5252 0.5463
N-Acetyl-leucine; LC-tDDA; CE20 0.0159 0.0252 0.0285 0.0301 0.0343 0.0496 0.1228 0.1254 0.1210
N-Acetylmethionine 0.0025 0.0040 0.0027 0.0468 0.0590 0.0929 0.1170 0.1348 0.1367
N-ACETYLMURAMIC ACID 0.0021 0.0037 0.0010 NA NA NA 0.0633 0.0584 0.0564
N-Acetylphenylalanine 0.0105 0.0135 0.0124 0.0599 0.0805 0.0912 0.2772 0.3260 0.3082
N-ACETYLPUTRESCINE 0.0088 0.0076 0.0064 0.0009 NA 0.0013 0.0365 0.0338 0.0367
N-ACETYLTRYPTOPHAN 0.0125 0.0124 0.0116 0.2053 0.2503 0.2855 0.2568 0.2645 0.2535
N-Acetyl-tyrosine; LC-tDDA; CE30 0.0037 0.0079 0.0039 0.0845 0.1153 0.1772 0.1294 0.1478 0.1363
N-C18:0 Phytoceramide 0.0007 0.0011 0.0005 NA 0.0015 0.0187 0.0025 0.0017 0.0015
NCGC00015088-09_C12H14N2O_N-[2-(1H-Indol-3-yl)ethyl]acetamide 0.0024 0.0048 0.0046 0.0009 NA 0.0018 0.0513 0.1851 0.0733
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 0.0008 0.0011 0.0000 0.0016 0.0005 0.3163 0.3661 0.3618
NCGC00332267-02!N-(2-phenylethyl)acetamide 0.0263 0.0448 0.0471 0.0009 0.0010 NA 0.0253 0.0141 0.0199
NCGC00380823-01!2-(14-methylpentadecanoylamino)-3-phenylpropanoic acid [IIN-based: Match] 0.0064 0.0078 0.0115 0.0100 0.0081 0.0068 0.0031 0.0033 0.0031
NCGC00381425-01!8-hydroxy-8-(3-octyloxiran-2-yl)octanoic acid [IIN-based on: CCMSLIB00000846585] 0.0031 0.0047 0.0044 0.0011 0.0015 0.0022 0.0053 0.0038 0.0021
NCGC00384987-01_C12H15NO4_N-Acetyl-O-methyltyrosine 0.4543 0.4336 0.4261 0.0000 0.0006 NA 0.3290 0.3116 0.3165
NCGC00385291-01_C19H30O8_3-Buten-2-one, 4-[4-(beta-D-glucopyranosyloxy)-2-hydroxy-2,6,6-trimethylcyclohexylidene]- 0.0009 0.0007 0.0005 0.0010 0.0028 0.0044 0.0145 0.0067 0.0064
NCGC00385316-01_C20H32O3_1-Naphthalenepentanoic acid, 3,4,4a,5,6,7,8,8a-octahydro-beta,2,5,5,8a-pentamethyl-3-oxo-, (8aS)- 0.0037 0.0067 0.0071 NA NA NA 4.8586 4.9656 4.9669
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 0.0012 NA 0.0009 NA 0.5026 0.5090 0.5160
NCGC00385536-01!(2E,4E)-N-(1,3-dihydroxy-3-methylpentan-2-yl)-2-methylhexa-2,4-dienamide [IIN-based on: CCMSLIB00000845102] 0.0101 0.0075 0.0104 0.0026 0.0015 0.0029 0.4936 0.5863 0.5689
N-(CINNAMOYL)GLYCINE 0.0105 0.0113 0.0134 0.0014 0.0016 0.0018 0.6050 0.5876 0.5769
NEPSILON,NEPSILON,NEPSILON-TRIMETHYLLYSINE 0.0701 0.0723 0.0785 0.0017 0.0022 0.0022 0.9478 0.9456 0.9557
N-Fructosyl isoleucine 0.9566 1.0014 1.0623 0.0912 0.1058 0.1626 0.1229 0.1245 0.1239
NICOTINAMIDE 0.1826 0.1920 0.1910 0.4049 0.4192 0.3410 0.0779 0.0781 0.0795
NICOTINATE 0.0224 0.0230 0.0254 0.0198 0.0181 0.0301 0.0128 0.0153 0.0153
Nicotine 0.2713 0.2520 0.2460 0.0935 0.0931 0.1470 0.0189 0.0224 0.0182
Nicotinic acid 0.0023 0.0009 0.0049 0.0006 0.0031 0.0030 0.0095 0.0099 0.0112
N-Isovalerylglycine 0.0088 0.0072 0.0048 0.0008 0.0011 0.0024 0.0471 0.0505 0.0395
N-lauroylethanolamine 0.0459 0.0547 0.0628 0.0446 0.0388 0.0297 0.0412 0.0430 0.0374
N-Methyldodecylamine 0.0908 0.0923 0.0807 0.0001 0.0002 0.0002 0.0331 0.0311 0.0300
N-METHYLNICOTINAMIDE 0.0033 0.0056 0.0024 0.0019 0.0012 0.0012 0.6708 0.8180 0.8082
N,N-Dimethyldecylamine 0.0049 0.0038 0.0042 0.0324 0.0312 0.0485 0.0007 0.0006 0.0020
N,N-Dimethyldecylamine oxide 0.0021 0.0018 0.0014 0.0912 0.0907 0.1189 0.0016 0.0015 0.0013
N,N-Dimethyldodecylamine 0.0057 0.0070 0.0054 0.0683 0.0652 0.0543 0.0064 0.0064 0.0054
N,N-Dimethyldodecylamine N-oxide 0.3113 0.3008 0.2941 0.0124 0.0294 0.0326 0.1180 0.0816 0.0646
N,N-Dimethylguanosine; LC-tDDA; CE40 0.1852 0.1908 0.1980 0.0295 0.0379 0.0321 6.2278 7.4352 7.4764
N-(n-octyl)-2-pyrrolidinone 0.0527 0.0544 0.0575 0.0141 0.0176 0.0210 0.0285 0.0266 0.0275
Nonaethylene glycol 0.0357 0.0296 0.0313 0.0166 0.0130 0.0100 0.1209 0.1121 0.1146
Norethindrone 0.0033 0.0010 0.0016 0.0036 0.0017 0.0027 0.0157 0.0206 0.0164
Norharman 0.0214 0.0200 0.0201 0.0284 0.0225 0.0126 0.0162 0.0137 0.0127
N(PAI)-METHYL-L-HISTIDINE 0.0138 0.0089 0.0198 0.0012 0.0016 0.0015 0.0920 0.1112 0.0976
O6-MeG 0.1437 0.1225 0.1469 0.0003 0.0005 0.0024 5.0835 4.8660 4.6683
Octaethylene glycol 0.0521 0.0454 0.0523 NA 0.0013 0.0026 0.0296 0.0390 0.0458
OCTANOYLCARNITINE 0.0919 0.0980 0.0983 NA NA NA 7.3113 7.4415 7.3738
Octenoyl-carnitine; LC-tDDA; CE10 0.9255 1.0133 0.9999 0.0611 0.0638 0.1094 14.1262 14.7338 14.6678
Octenoyl-carnitine; LC-tDDA; CE30 4.8062 5.1289 5.2678 0.0002 0.0009 0.0016 103.4171 104.7165 103.2934
Oleoyl Ethanolamide 0.2253 0.2335 0.2298 0.0903 0.0759 0.0429 0.0063 0.0055 0.0041
Oleoyl-L-Carnitine 5.7575 5.5401 5.3842 0.0028 0.0119 0.0327 0.0015 0.0006 0.0013
oroxindin NA 0.0001 0.0005 0.0009 0.0011 0.0048 0.1741 0.2600 0.2589
ortho-Chlorophenylpiperazine 0.0794 0.0817 0.0728 0.0013 0.0010 0.0009 0.0042 0.0061 0.0047
Ortophosphate 0.0034 0.0023 0.0017 0.6712 0.7303 0.6879 0.0008 0.0009 0.0024
Palmitoylcarnitine 2.0558 2.2685 2.3393 0.0260 0.0437 0.0704 0.0040 0.0021 0.0022
Palmitoyl-carnitine; AIF; CE30; CorrDec 0.0102 0.0117 0.0219 18.5109 16.6906 9.6660 0.0003 0.0003 0.0011
Palmitoylcarnitine cation 0.1221 0.0620 0.0766 0.1829 0.3521 0.4072 0.0023 0.0029 0.0019
Pantethine 0.0000 0.0000 NA 0.0011 NA NA 0.0025 0.0009 0.0012
PANTOTHENATE 0.0225 0.0243 0.0272 2.7770 3.3012 2.2204 0.3486 0.1883 0.2358
PANTOTHENIC ACID 0.0828 0.1195 0.1718 7.5459 8.0618 11.0542 0.6503 0.6838 0.2720
Paraxanthine 2.5083 3.0140 3.2482 NA 0.0000 NA 0.1267 0.1539 0.1490
Paroxetine 0.0406 0.0506 0.0440 NA NA NA 0.0026 0.0019 0.0031
PC(16:0/0:0) 21.3100 22.0684 21.6624 27.2958 32.5123 22.8328 0.0017 0.0029 0.0007
PC(16:0/18:1(9Z)) 16.9156 16.8244 16.9154 17.1149 19.0076 24.2659 0.0580 0.0396 0.0376
PC 17:0-20:3-d5_ISTD 0.0250 0.0318 0.0337 0.1370 0.1011 0.1051 0.0006 0.0012 0.0012
p-Coumaraldehyde 0.0022 0.0044 0.0034 NA NA 0.0013 0.0561 0.0560 0.0602
Petiline 0.0847 0.0800 0.0743 NA 0.0001 0.0012 0.0351 0.0370 0.0359
Phenylacetylglutamine 0.0039 0.0060 0.0039 0.0268 0.0280 0.0188 2.3823 2.8469 2.7377
PHENYLACETYL-GLUTAMINE 0.0041 0.0035 0.0041 0.0280 0.0252 0.0200 0.8548 0.8472 0.4524
Phenylalanine 0.0027 0.0035 0.0044 0.0015 0.0011 0.0020 0.0057 0.0062 0.0058
PHENYLETHANOLAMINE 12.5423 12.6250 12.6611 38.8129 39.8113 27.9403 5.7555 5.8871 5.9286
Phenylethylamine 0.1764 0.1723 0.1650 0.0067 0.0063 0.0098 0.0482 0.0596 0.0446
Phosphorylcholine; LC-tDDA; CE30 0.0019 0.0007 0.0012 0.6778 0.6709 0.8807 0.0039 0.0040 0.0020
Phosphorylcholine; LC-tDDA; CE40 0.0006 0.0004 0.0009 0.0259 0.0145 0.0903 0.0007 0.0013 0.0014
Phthalic acid 0.1698 0.2138 0.1443 0.0089 0.0112 0.0207 0.1104 0.1315 0.1354
Phytosphingosine 0.0036 0.0048 0.0033 0.0911 0.0878 0.1054 0.0021 0.0016 0.0009
Phytosphingosine (not validated, isomer of 1696) 0.0532 0.0534 0.0514 0.0064 0.0146 0.0182 0.0273 0.0145 0.0119
Picolinic acid 0.0020 0.0029 0.0027 0.0014 0.0015 0.0016 0.1228 0.1488 0.1575
Pilocarpine 0.0251 0.0195 0.0222 0.0031 0.0081 0.0047 0.0273 0.0355 0.0463
Pipecolic acid 0.0379 0.0373 0.0398 0.0165 0.0152 0.0153 0.0435 0.0500 0.0443
Piperine 1.4626 1.4928 1.4649 0.0013 NA NA 0.0029 0.0034 0.0020
Pirimicarb-desamido 0.0117 0.0123 0.0148 0.0016 0.0017 0.0010 0.0617 0.0618 0.0616
P-OCTOPAMINE 0.7221 0.7060 0.7379 1.0588 1.0435 0.7577 0.2545 0.2533 0.2648
Prolinamide 0.0083 0.0098 0.0092 NA NA NA 0.0018 0.0016 0.0016
PROLINE 0.0328 0.0360 0.0365 0.0020 0.0026 0.0041 0.0025 0.0031 0.0046
Proline betaine 3.6041 3.5306 3.5857 0.0186 0.0183 0.0185 0.5234 0.4511 0.4839
PROPIONYLCARNITINE 4.2783 4.1377 4.0512 3.8700 4.0389 2.8477 2.8887 2.9154 2.8924
PURINE 4.8169 4.1406 5.5126 0.9677 1.1001 1.8054 2.9610 1.4464 2.1694
Purine; CE30; DDA; KDCGOANMDULRCW-UHFFFAOYSA-N 5.6804 3.2135 4.7232 1.0415 1.2541 1.9772 2.0901 1.8170 2.5124
Putrescine 0.0036 0.0051 0.0039 0.0603 0.0696 0.0693 0.0440 0.0429 0.0422
Pyridine 0.0454 0.0511 0.0493 0.0080 0.0089 0.0386 0.0122 0.0142 0.0097
Pyridoxal 0.0067 0.0047 0.0059 0.0010 0.0013 0.0017 0.1206 0.0079 0.0063
Pyridoxine 0.1792 0.1833 0.1879 1.6002 1.6595 2.4488 0.1030 0.1900 0.2709
PYROGLUTAMATE 0.0458 0.0503 0.0584 0.0231 0.0316 0.0311 11.2363 11.2092 11.0759
PYROGLUTAMIC ACID 0.0060 0.0073 0.0065 0.0111 0.0145 0.0210 1.7869 2.1531 2.1786
Quetiapine 3.0417 3.0277 2.9026 NA NA NA 0.0027 0.0011 0.0022
Quinaldic acid 0.0015 0.0013 0.0023 0.0083 0.0100 0.0138 0.0219 0.0183 0.0210
Quinoline; LC-tDDA; CE30 0.0077 0.0067 0.0099 0.0025 0.0042 0.0031 0.0175 0.0090 0.0087
Quinolone 0.0056 0.0030 0.0032 0.0159 0.0192 0.0288 0.0396 0.0516 0.0489
(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 0.0013 0.0008 0.0016 0.0026 0.0078 0.0032 0.0020 0.0015 0.0018
(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 0.0270 0.0382 0.0281 0.0008 0.0006 0.0018 0.0011 0.0007 0.0008
(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 0.0251 0.0265 0.0184 0.0030 0.0007 0.0048 0.0301 0.0197 0.0197
(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 0.0035 0.0093 0.0049 0.0003 0.0006 0.0033 0.0031 0.0032 0.0038
(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 0.0123 0.0159 0.0164 0.0024 0.0009 0.0077 0.0009 0.0009 0.0006
(R)-4-((5S,8S,9S,10R,13R,14S,17R)-10,13-dimethyl-3,6-dioxohexadecahydro-1H-cyclopenta[a]phenanthren-17-yl)pentanoic acid 0.0010 0.0014 0.0006 0.0021 0.0007 0.0050 0.0014 0.0011 0.0034
RIBOFLAVIN 0.0197 0.0224 0.0208 0.0745 0.0704 0.0781 0.0502 0.0437 0.0565
(R)-(-)-Phenylephrine 0.2088 0.2176 0.2019 0.0098 0.0096 0.0167 0.0645 0.0628 0.0543
S-Adenosyl-L-homocysteine 0.0187 0.0207 0.0192 0.0741 0.0782 0.1189 0.0487 0.0437 0.0479
Sarcosine; AIF; CE10; MS2Dec 0.0901 0.0830 0.0840 0.2649 0.2450 0.1763 0.0475 0.0495 0.0554
Serotonin 0.0190 0.0255 0.0226 0.0000 NA NA 0.0077 0.0059 0.0118
Serylleucine 0.0023 0.0030 0.0016 0.0156 0.0186 0.0228 0.0235 0.0118 0.0113
S-Methyl-methionine; LC-tDDA; CE20 0.0014 0.0015 0.0024 NA NA NA 0.0025 0.0009 0.0019
sn-Glycero-3-phosphocholine 0.0706 0.0485 0.0616 0.0444 0.0286 0.0617 0.2350 0.2312 0.2263
SPERMIDINE 0.0207 0.0196 0.0218 12.6287 12.0603 8.4674 0.2359 0.2244 0.2120
SPERMINE 0.0178 0.0068 0.0045 1.9273 2.8157 2.1317 0.3327 0.3440 0.3513
SPHINGANINE 0.0461 0.0300 0.0283 0.0270 0.0418 0.1357 0.0152 0.0116 0.0083
Sphinganine (C17 base) 0.0031 0.0017 0.0015 0.0018 0.0016 0.0087 0.0015 0.0030 0.0017
SPHINGOMYELIN 2.8675 2.6846 2.3819 1.1499 1.2668 1.0642 0.0171 0.0115 0.0110
Sphingosine 1.1053 1.0536 1.0200 0.0455 0.0412 0.0472 0.0373 0.0295 0.0299
Stearoyl-carnitine; LC-tDDA; CE20 1.0195 1.0499 1.0867 0.0056 0.0100 0.0171 0.0035 0.0026 0.0018
Stearoyl-L-Carnitine 0.0116 0.0129 0.0120 5.6152 5.0757 2.7993 0.0027 0.0031 0.0038
Stercobilin 0.0240 0.0287 0.0295 NA NA NA 2.4317 2.5301 2.5742
TAG(50:1) 0.8901 0.8508 0.0729 0.4966 0.3569 0.2777 0.0038 0.0058 0.0058
Taurine; AIF; CE10; CorrDec 0.0024 0.0036 0.0036 0.0000 0.0017 0.0001 0.0248 0.0313 0.0302
Taurocholic acid 0.0018 0.0007 0.0012 NA NA 0.0015 0.0043 0.0086 0.0085
Taurodeoxycholate 0.0088 0.0180 0.0175 NA 0.0012 0.0015 0.0022 0.0020 0.0007
?-Tauromuricholic acid 0.0016 0.0014 0.0033 NA 0.0011 NA 0.0068 0.0055 0.0072
TAUROURSODEOXYCHOLIC ACID 0.0009 0.0006 0.0020 NA NA NA 0.0018 0.0005 0.0016
Theobromine 1.0199 1.1075 1.1658 NA 0.0009 NA 0.0600 0.0651 0.0676
THIAMINE 0.0080 0.0048 0.0027 0.0467 0.0560 0.1467 0.0091 0.0137 0.0114
Thionin 0.0101 0.0066 0.0037 0.0087 0.0090 0.0117 0.0057 0.0049 0.0117
Thymine 0.0076 0.0072 0.0085 0.2410 0.2099 1.3268 0.0428 0.0411 0.0415
TIGLYL GLYCINE 0.0425 0.0433 0.0601 0.0034 0.0037 0.0055 1.6484 1.9285 1.9060
Tramadol 0.4108 0.3909 0.3821 NA 0.0005 NA 0.0025 0.0028 0.0021
Trazodone 6.5632 6.5509 6.3129 0.0005 NA NA 0.0121 0.0099 0.0049
TREHALOSE 0.0030 0.0012 0.0010 NA 0.0005 NA 0.0128 0.0098 0.0134
Tri(butoxyethyl) phosphate 0.2904 0.2648 0.2618 0.5712 0.4934 0.3831 0.2970 0.1951 0.1627
Tributylamine 0.0101 0.0128 0.0124 1.0298 1.0511 0.7681 0.0066 0.0043 0.0041
Tricin 0.0010 NA 0.0012 NA NA NA 0.0040 0.0031 0.0030
Triethyl phosphate 0.1690 0.1543 0.1559 0.0285 0.0277 0.0342 0.0009 0.0023 0.0034
TRIMETHYLAMINE 0.1156 0.1381 0.1515 0.0050 0.0050 0.0081 0.0769 0.0936 0.0920
TRIMETHYLAMINE N-OXIDE 0.0698 0.0738 0.0645 NA NA NA 0.5874 0.6041 0.5550
Tri-N-butyl phosphate 1.9602 1.8385 1.6778 0.1361 0.1166 0.0894 0.0946 0.0979 0.0836
Triphenylphosphine oxide 0.4918 0.4721 0.4496 0.0673 0.0723 0.1084 0.4398 0.3302 0.3088
Tryptamine 0.0025 0.0023 0.0033 0.0083 0.0095 0.0107 0.5991 0.6870 0.7115
Tryptophan 21.2603 21.4785 21.8133 7.3154 8.0114 10.2123 14.4132 17.0100 16.7980
Tyramine 0.0184 0.0199 0.0207 0.0043 0.0042 0.0040 0.1306 0.1243 0.1266
Tyrosine 0.0083 0.0071 0.0100 0.0081 0.0066 0.0137 0.0091 0.0080 0.0049
URACIL 0.0016 0.0015 0.0032 0.0020 0.0021 0.0024 0.0005 0.0010 0.0003
Uric acid 0.1218 0.1321 0.1301 NA NA NA 0.0023 0.0023 0.0026
URSOCHOLIC ACID 0.1502 0.1568 0.1650 0.0210 0.0202 0.0170 0.2824 0.2528 0.2355
URSODEOXYCHOLATE 0.0297 0.0332 0.0351 0.0020 0.0010 NA 0.0004 0.0007 0.0014
Valeryl-carnitine; AIF; CE30; CorrDec 1.0722 0.3417 1.4361 0.1077 0.1076 0.1457 1.9009 1.8929 1.7684
Valine 1.2009 1.5948 1.2191 0.7961 0.8413 1.1211 0.5051 0.3727 0.3631
Valsartan 0.0737 0.0836 0.0853 0.0012 0.0009 0.0030 0.0022 0.0008 0.0006
Voacamine 0.0013 0.0012 0.0009 NA NA NA NA NA 0.0007
Walleminone 0.0014 0.0050 0.0032 0.0008 0.0000 0.0013 0.0081 0.0079 0.0083
Xanthine 0.0055 0.0123 0.0239 0.0074 0.0110 0.0178 0.0764 0.0784 0.0820
XANTHOSINE 0.0018 0.0024 0.0030 0.0006 0.0002 0.0006 0.1023 0.0949 0.0945
(Z)-3-(4-hydroxyphenyl)-N-[4-[[(E)-3-(4-hydroxyphenyl)prop-2-enoyl]amino]butyl]prop-2-enamide 0.0009 0.0007 0.0007 0.0010 NA NA 0.0012 0.0013 0.0031
(Z)-9,12,13-trihydroxyoctadec-15-enoic acid 0.0810 0.0779 0.0866 0.0084 0.0162 0.0362 0.0167 0.0095 0.0118
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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