Data for (Study ST000756)

(Analysis AN001186)

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

Run Hierarchial cluster analysis on this study | Run Heatmap cluster analysis on this study

MetaboliteF1F2F3F4
10-HYDROXYDECANOATE (CAS# 1679-53-4); (M-H)- NA 1.0000 NA NA
11-DEOXYCORTISOL (CAS# 152-58-9); (M+CL)- 0.5864 1.3118 1.1019 NA
11-DEOXYCORTISOL (CAS# 152-58-9); (M+HCOO)- 0.5425 1.4397 1.0178 NA
16:0-18:0 PC (CAS# 59403-51-9); (M+CL)- 0.6502 1.1762 1.1736 NA
16:0 LYSO PC (CAS# 17364-16-8); (M+CL)- 1.0361 0.9748 0.9891 NA
16:0 LYSO PC (CAS# 17364-16-8); (M+HCOO)- 1.0015 1.0489 0.9496 NA
18:0 LYSO-PE (CAS# 69747-55-3); (M-H)- 0.7840 0.8943 1.3218 NA
1-METHYLADENOSINE (CAS# 15763-06-1); (M+CL)- 0.2522 NA 1.7478 NA
1-METHYLURIC ACID (CAS# 708-79-2); (M-H)- 0.3778 NA 1.6222 NA
20:0 LYSO PC (CAS# 108341-80-6); (M+CL)- NA 1.0000 NA NA
20:0 LYSO PC (CAS# 108341-80-6); (M+HCOO)- 0.9700 1.0311 0.9889 NA
2-DEOXY-D-GLUCOSE (CAS# 154-17-6); (M+CL)- 1.0000 NA NA NA
2-DEOXY-D-GLUCOSE (CAS# 154-17-6); (M+HCOO)- 1.8454 0.1546 NA NA
2^-DEOXYGUANOSINE (CAS# 961-07-9); (M-H)- NA NA 1.0000 NA
2-HYDROXY-3-METHYLBUTYRIC ACID (CAS# 4026-18-0); (M-H)- 0.1623 0.3939 2.4437 NA
2-HYDROXY-4-(METHYLTHIO)BUTYRIC ACID (CAS# 583-91-5); (M-H)- 0.3084 NA 1.6916 NA
2-HYDROXYBUTYRATE (CAS# ); (M-H)- 0.3879 1.1570 1.6827 NA
2-METHYLGLUTARIC ACID (CAS# 18069-17-5); (M-H)- 0.5536 0.8332 1.6133 NA
2-METHYLMALEATE (CAS# 498-23-7); (M-H)- 0.9540 1.4952 0.5508 NA
2-OXOADIPATE (CAS# 3184-35-8); (M-H)- 1.3603 0.6397 NA NA
3-(2-HYDROXYPHENYL)PROPANOATE (CAS# 495-78-3); (M-H)- 1.1149 1.2274 0.7152 NA
3-(4-HYDROXYPHENYL)LACTATE (CAS# 6482-98-0); (M-H)- 0.6613 1.4980 0.8408 NA
3BETA-HYDROXY-5ALPHA-PREGNAN-20-ONE (CAS# 516-55-2); (M+CL)-[-H2O] 1.2808 NA 0.7192 NA
3-HYDROXY-3-METHYLGLUTARATE (CAS# 503-49-1); (M-H)- 0.2669 0.6327 1.8560 NA
3-HYDROXYBENZALDEHYDE (CAS# 100-83-4); (M-H)- 2.3340 0.6002 0.9552 NA
3-HYDROXYBENZOATE (CAS# 99-06-9); (M-H)- 0.8820 0.9508 1.2509 NA
3-HYDROXYPHENYLACETATE (CAS# 621-37-4); (M-H)- 0.8371 1.2761 0.8868 NA
3-HYDROXYPYRUVIC ACID (CAS# 1113-60-6); (M-H)- 1.2381 0.6300 1.0086 NA
3-METHOXYTYROSINE (CAS# 4214-13-5); (M-H)- 0.5692 1.2154 NA NA
3-METHYGLUTARIC ACID (CAS# 626-51-7); (M-H)- 0.5632 0.8259 1.6109 NA
3-METHYLADIPIC ACID (CAS# 3058-01-3); (M-H)- 0.8267 1.0444 1.1288 NA
3-NITRO-L-TYROSINE (CAS# 621-44-3); (M-H)- 0.1010 1.8990 NA NA
3-PHOSPHOGLYCERATE (CAS# ); (M-H)- NA 1.0000 NA NA
4-ACETAMIDOBUTANOATE (CAS# 3025-96-5); (M-H)- 1.0000 NA NA NA
4-ACETAMINOPHEN SULFATE (CAS# 32113-41-0); (M-H)- 1.0000 NA NA NA
4-COUMARATE (CAS# 501-98-4); (M-H)- 0.8587 0.7894 1.3520 NA
4-HYDROXY-2-QUINOLINECARBOXYLIC ACID-KRYNURENIC ACID (CAS# 492-27-3); (M-H)- 0.7632 1.2368 NA NA
4-HYDROXYBENZALDEHYDE (CAS# 123-08-0); (M-H)- 2.3066 0.6103 0.9542 NA
4-HYDROXYBENZOATE (CAS# 99-96-7); (M-H)- 0.9021 0.5221 1.5757 NA
4-HYDROXYPHENYLACETATE (CAS# 156-38-7); (M-H)- 0.4607 0.9345 1.7360 NA
4-METHYL-2-OXOPENTANOATE (CAS# 816-66-0); (M-H)- 0.6266 1.2041 1.1692 NA
4-METHYL-2-OXOVALERIC ACID (CAS# 816-66-0); (M-H)- 0.6266 1.2041 1.1693 NA
4-NITROCATECHOL (CAS# 3316-09-4); (M-H)- 1.2297 NA 0.8851 NA
4-NITROPHENOL (CAS# 100-02-7); (M-H)- 1.0180 0.5053 1.4767 NA
4-PYRIDOXATE (CAS# 82-82-6); (M-H)- 0.8321 1.3441 0.8238 NA
5-AMINOPENTANOATE (CAS# 660-88-8); (M-H)- 0.6451 1.1102 1.4894 NA
5-HYDROXYTRYPTOPHAN (CAS# 4350-09-8); (M-H)- 0.4816 1.6462 0.8723 NA
5-METHYLTETRAHYDROFOLATE (CAS# 134-35-0); (M-H)- 1.0000 NA NA NA
5^-METHYLTHIOADENOSINE (CAS# 2457-80-9); (M+CL)- 0.6052 1.3284 1.0995 NA
5^-METHYLTHIOADENOSINE (CAS# 2457-80-9); (M+HCOO)- 0.5702 1.2746 1.4656 NA
5-OXOPROLINE (CAS# 4042-36-8); (M-H)- 1.0000 NA NA NA
5-VALEROLACTONE (CAS# 542-28-9); (M+HCOO)- 0.1746 1.2572 1.8523 NA
6-CARBOXYHEXANOATE (CAS# 111-16-0); (M-H)- 0.8194 1.0351 1.1455 NA
ACETOACETATE (CAS# 541-50-4); (M-H)- 0.8203 1.0410 1.1387 NA
ADENOSINE 5^-MONOPHOSPHATE (CAS# 61-19-8); (M-H)- NA 1.3032 0.5452 NA
ADENOSINE 5^-PHOSPHOSULFATE (CAS# 485-84-7); (M-H)- 0.3451 1.4463 0.6581 NA
ADIPIC ACID (CAS# 124-04-9 ); (M-H)- 0.5632 0.8259 1.6109 NA
ALLANTOIN (CAS# 97-59-6); (M-H)- 1.3396 0.3523 0.8763 NA
ALLOSE (CAS# 2595-97-3); (M-H)+[-H2O] 0.3148 0.6246 1.8322 NA
ALPHA-HYDROXYISOBUTYRIC ACID (CAS# 594-61-6); (M-H)- 0.3879 1.1570 1.6827 NA
ALPHA-KETO-GLUTARATE (CAS# 328-50-7); (M-H)- 1.1945 0.7799 1.0513 NA
ALPHA-LINOLENIC ACID (CAS# 463-40-1); (M+HCOO)- 0.8278 0.8942 1.3642 NA
ARACHIDIC ACID (CAS# 506-30-9); (M-H)- NA NA 1.0000 NA
ARACHIDONATE (CAS# 506-32-1); (M-H)- 0.8342 0.9870 1.1788 NA
AZELAIC ACID (CAS# 123-99-9); (M-H)- 0.3399 2.6898 0.5336 NA
BEHENIC ACID (CAS# 112-85-6); (M-H)- NA NA 1.0000 NA
BENZALDEHYDE (CAS# 100-52-7); (M+HCOO)- NA 0.8234 1.5297 NA
BENZOATE (CAS# 65-85-0); (M-H)- 2.3478 0.6019 0.9488 NA
BETA-ALANYL-N(PAI)-METHYL-L-HISTIDINE (CAS# 584-85-0); (M-H)- 1.0000 NA NA NA
BETA-CAROTENE (CAS# 7235-40-7); (M-H)- NA 1.0000 NA NA
BETA-MALTOSE (CAS# 69-79-4); (M+CL)- 1.0000 NA NA NA
BETA-MALTOSE (CAS# 69-79-4); (M+HCOO)- NA 1.0000 NA NA
BIOTIN (CAS# 58-85-5); (M-H)- 0.5182 0.8286 2.6168 NA
BOC-LYS-OH (CAS# 13734-28-6); (M-H)- 0.6037 1.3963 NA NA
C12 GALACTOSYL(BETA) CERAMIDE (D18:1/12:0) (CAS# 41613-14-3); (M+CL)- 0.8937 1.0559 1.1567 NA
CATECHOL (CAS# 120-80-9); (M-H)- 0.6585 1.3525 1.1065 NA
CELLOBIOSE (CAS# 528-50-7); (M+CL)- 1.0000 NA NA NA
CHOLATE (CAS# 81-25-4); (2M-H)- 0.0461 0.3907 2.5632 NA
CHOLATE (CAS# 81-25-4); (M+CL)- 0.1722 0.5606 2.2672 NA
CHOLATE (CAS# 81-25-4); (M-H)- 0.3262 0.8633 1.8104 NA
CINNAMIC ACID (CAS# 140-10-3); (M-H)- 1.0000 NA NA NA
CIS-11-EICOSENOIC ACID (CAS# 5561-99-9); (M-H)- 0.6203 0.8711 1.5085 NA
CIS-ACONITATE (CAS# 585-84-2); (M-H)- 0.6313 1.1334 1.1124 NA
CIS-VACCENIC ACID (CAS# 506-17-2); (M-H)- 0.5707 1.2015 1.2278 NA
CIS-ZEATIN (CAS# 1637-39-4); (M+CL)- 0.8422 1.1106 1.0473 NA
CIS-ZEATIN (CAS# 1637-39-4); (M-H)- 0.8360 1.1471 1.0169 NA
CITRAMALATE (CAS# 2306-22-1); (M-H)- 0.6403 0.9573 1.4024 NA
CITRATE (CAS# 77-92-9); (M-H)- 0.5050 1.2646 1.2304 NA
CITRULLINE (CAS# 372-75-8); (M-H)- 1.1838 0.5664 1.2498 NA
CORTICOSTERONE (CAS# 50-22-6); (M+CL)- 0.5857 1.3109 1.1033 NA
CORTICOSTERONE (CAS# 50-22-6); (M+HCOO)- 0.5426 1.4396 1.0178 NA
CYCLOHEPTANECARBOXYLIC ACID (CAS# 1460-16-8); (M+HCOO)- 0.3399 2.6891 0.5341 NA
CYTIDINE 5^-DIPHOSPHOCHOLINE (CAS# 987-78-0); (M+CL)- NA 1.0000 NA NA
CYTIDINE (CAS# 65-46-3); (M+CL)- 1.0000 NA NA NA
D-(-)-ARABINOSE (CAS# 10323-20-3); (M+HCOO)- 1.2740 0.5317 1.1944 NA
DECANOATE (CAS# 334-48-5); (M-H)- NA 1.0000 NA NA
DEHYDROASCORBATE (CAS# 490-83-5); (M+CL)- 3.4146 NA 0.1951 NA
DEHYDROASCORBATE (CAS# 490-83-5); (M-H)- 0.4624 1.0739 1.2845 NA
DEHYDROASCORBATE (CAS# 490-83-5); (M+HCOO)- NA 1.0000 NA NA
DEOXYADENOSINE (CAS# 16373-93-6); (M+CL)- 0.5750 0.8081 1.4753 NA
DEOXYCHOLIC ACID (CAS# 83-44-3); (2M-H)- 0.0591 0.1129 1.9050 NA
DEOXYCHOLIC ACID (CAS# 83-44-3); (M+CL)- 0.1660 0.1917 1.5474 NA
DEOXYCHOLIC ACID (CAS# 83-44-3); (M-H)- 0.2514 0.3348 2.1642 NA
DEOXYCYTIDINE (CAS# 951-77-9); (M+CL)- 1.1916 1.0891 0.5788 NA
DEOXYCYTIDINE (CAS# 951-77-9); (M+HCOO)- 1.2713 NA 0.4574 NA
DEOXYURIDINE (CAS# 951-78-0); (M+CL)- 0.6512 1.5386 0.9897 NA
DEOXYURIDINE (CAS# 951-78-0); (M-H)- 0.9040 1.4014 0.5419 NA
DEOXYURIDINE (CAS# 951-78-0); (M+HCOO)- 0.8528 1.4416 NA NA
DGMP (CAS# 902-04-5); (M-H)- NA 1.0320 0.9040 NA
DIACETYL (CAS# 431-03-8); (M+HCOO)- 0.9944 0.8640 1.1397 NA
D-LYXOSE (CAS# 1114-34-7); (M+CL)- 1.2630 NA 0.7370 NA
D-LYXOSE (CAS# 1114-34-7); (M-H)- 0.8695 1.1361 0.9944 NA
D-LYXOSE (CAS# 1114-34-7); (M+HCOO)- 1.1414 0.6481 1.0932 NA
DOCOSAHEXAENOIC ACID (CAS# 6217-54-5 ); (M-H)- 0.6509 0.8603 1.4888 NA
D-ORNITHINE (CAS# 348-66-3); (M-H)- 1.2761 0.6085 1.2074 NA
D-PSICOSE (CAS# 551-68-8); (M+CL)- 0.9470 0.8972 1.1558 NA
D-TAGATOSE (CAS# 87-81-0); (M+CL)- 0.9475 0.8977 1.1548 NA
DUMP (CAS# 964-26-1); (M-H)- 1.0000 NA NA NA
EDTA (CAS# 60-00-4); (M-H)- 0.4122 1.6923 0.2555 NA
ELAIDIC ACID (CAS# 112-79-8); (M-H)- 0.5707 1.2015 1.2278 NA
EPIBRASSINOLIDE [ISTD] (CAS# 78821-43-9); (M+CL)- 0.7816 1.1767 1.0417 NA
EPIBRASSINOLIDE [ISTD] (CAS# 78821-43-9); (M+HCOO)- 0.8038 1.1730 1.0232 NA
ERUCIC ACID (CAS# 112-86-7); (M-H)- 1.0299 0.9814 0.9987 NA
ETHANOLAMINE PHOSPHATE (CAS# 1071-23-4); (M-H)- NA 1.0511 0.9489 NA
ETHYLMALONIC ACID (CAS# 601-75-2); (M-H)- 1.5870 0.7639 0.4738 NA
FRUCTOSE (CAS# 57-48-7); (M+CL)- 0.9475 0.8977 1.1548 NA
FRUCTOSE (CAS# 57-48-7); (M+HCOO)- 0.4069 1.6981 0.8950 NA
FUMARATE (CAS# 110-17-8); (M-H)- 1.0178 0.7083 1.4107 NA
GALACTARATE (CAS# 526-99-8); (M-H)- NA 0.8215 1.0595 NA
GALACTURONIC ACID (CAS# 91510-62-2); (M-H)- 1.0419 0.9581 NA NA
GAMMA-BUTYROLACTONE (CAS# 96-48-0); (M+HCOO)- 0.9923 0.8676 1.1375 NA
GAMMA-LINOLENIC ACID (CAS# 506-26-3); (M+HCOO)- 0.8277 0.8945 1.3640 NA
GIBBERELLIC ACID [ISTD] (CAS# 77-06-5); (2M-H)- 0.5265 1.5605 0.9130 NA
GIBBERELLIC ACID [ISTD] (CAS# 77-06-5); (M+CL)- 0.8120 1.1637 1.0243 NA
GIBBERELLIC ACID [ISTD] (CAS# 77-06-5); (M-H)- 0.7765 1.2018 1.0217 NA
GLUCARIC ACID (CAS# 87-73-0); (M-H)- NA 0.8215 1.0595 NA
GLUCARIC ACID (CAS# 87-73-0); (M-H)+[-H2O] 0.3691 1.1633 1.4676 NA
GLUCONIC ACID (CAS# 526-95-4); (M-H)- 1.2740 0.5317 1.1944 NA
GLUCOSE (CAS# 50-99-7); (2M+CL)-[-H2O] 1.0000 NA NA NA
GLUCOSE (CAS# 50-99-7); (2M+HCOO)-[-H2O] NA 1.0000 NA NA
GLUCOSE (CAS# 50-99-7); (M+CL)- 0.9475 0.8977 1.1548 NA
GLUCURONIC ACID (CAS# 6556-12-3); (M+CL)- NA NA 1.0000 NA
GLUCURONIC ACID (CAS# 6556-12-3); (M-H)- 1.1895 0.8105 NA NA
GLUTAMINE (CAS# 56-85-9); (M-H)- 1.5667 0.7156 0.9066 NA
GLUTARATE (CAS# 110-94-1); (M-H)- 0.9618 0.8819 1.1562 NA
GLUTATHIONE (CAS# 27025-41-8); (M-H)- 0.6915 1.6549 0.6536 NA
GLYCERALDEHYDE (CAS# 367-47-5); (2M-H)-[-H2O] 0.2669 0.6327 1.8560 NA
GLYCERATE (CAS# 473-81-4); (M-H)- 1.0725 0.9951 0.7873 NA
GLYCEROL 2-PHOSPHATE (CAS# ); (M-H)- 1.0000 NA NA NA
GLYCINE (CAS# 56-40-6); (M-H)- 1.0000 NA NA NA
GLYCOCHOLATE (CAS# 475-31-0); (2M-H)- NA NA 1.0000 NA
GLYCOCHOLATE (CAS# 475-31-0); (M-H)- 0.2091 0.3004 2.4905 NA
GLYOXYLATE (CAS# 298-12-4); (M-H)- NA NA 1.0000 NA
GUANINE (CAS# 73-40-5); (M-H)- 1.0000 NA NA NA
GUANOSINE 5^-PHOSPHATE (CAS# 85-32-5); (2M-H)+ 1.0749 0.9015 1.0736 NA
GUANOSINE 5^-PHOSPHATE (CAS# 85-32-5); (M-H)- 0.9964 1.1418 0.7199 NA
GUANOSINE (CAS# 118-00-3); (M+CL)- NA 1.0000 NA NA
HEPTADECANOATE (CAS# 506-12-7); (M-H)- 0.6493 0.7688 1.5819 NA
HEXACOSANOIC ACID (CAS# 506-46-7); (M-H)- NA 1.0000 NA NA
HIPPURATE (CAS# 495-69-2); (M-H)- 0.7643 1.1374 1.0982 NA
HOMOVANILLATE (CAS# 306-08-1); (M-H)- NA 1.0000 NA NA
HYODEOXYCHOLATE (CAS# 83-49-8); (M-H)- 1.3516 0.7660 0.8825 NA
HYPOTAURINE (CAS# 300-84-5); (M-H)- NA NA 1.0000 NA
INDOLE-3-ACETATE (CAS# 87-51-4); (M-H)- 0.9798 1.1958 0.8829 NA
INOSINE 5^-DIPHOSPHATE (CAS# 86-04-4); (M-H)- 1.1883 0.6779 1.1520 NA
INOSINE (CAS# 58-63-9); (M+CL)- 0.8606 NA 1.1394 NA
INOSINE (CAS# 58-63-9); (M-H)- 1.4977 0.3835 0.6211 NA
ISOCITRATE (CAS# 320-77-4); (M-H)- 0.3698 1.1569 1.4733 NA
ISOLEUCINE (CAS# 73-32-5); (M-H)- 0.9033 1.0889 1.0374 NA
ITACONATE (CAS# 97-65-4); (M-H)- 0.8592 1.2652 0.4861 NA
JASMONIC ACID [ISTD] (CAS# 77026-92-7); (2M-H)- 0.4685 1.4544 0.8499 NA
JASMONIC ACID [ISTD] (CAS# 77026-92-7); (M-H)- 0.7455 1.2597 0.9948 NA
KYNURENINE (CAS# 343-65-7); (M-H)- 1.0000 NA NA NA
L-[15N]ANTHRANILIC ACID [ISTD] (CAS# ); (M-H)- 0.7873 1.1812 1.0316 NA
LACTOSE (CAS# 63-42-3); (M+CL)- 1.0000 NA NA NA
LACTOSE (CAS# 63-42-3); (M-H)- NA 0.8819 1.1772 NA
LANTHIONINE (CAS# 3183-08-2); (M-H)- 0.4480 NA 1.5520 NA
L-ARGININE (CAS# 74-79-3); (M-H)- 1.0551 1.0840 0.8609 NA
L-ARGININE-(GUANIDINEIMINO-15N2) [ISTD] (CAS# ); (M-H)- 1.0174 1.0469 0.9357 NA
LAURIC ACID (CAS# 143-07-7); (M-H)- NA 1.1539 0.5383 NA
LEUCINE (CAS# 328-39-2); (M-H)- 0.9031 1.0921 1.0355 NA
LEUKOTRIENE B4 (CAS# 71160-24-2); (M-H)- 0.0599 0.4453 2.0247 NA
L-GULONATE (CAS# 6322-07-2); (M+CL)+[-H2O] NA 1.0712 0.8576 NA
L-GULONATE (CAS# 6322-07-2); (M-H)- 1.2696 0.5233 1.2071 NA
L-GULONATE (CAS# 6322-07-2); (M-H)+[-H2O] 0.7286 0.5735 1.4653 NA
L-HISTIDINE (CAS# 71-00-1); (M-H)- 1.0658 0.8134 1.1208 NA
LIGNOCERIC ACID (CAS# 557-59-5); (M-H)- 0.9484 1.0304 1.0212 NA
LINOLEATE (CAS# 60-33-3); (M-H)- 0.6890 0.8553 1.4557 NA
L-METHIONINE SULFOXIMINE (CAS# 15985-39-4); (M-H)- 1.0000 NA NA NA
L-ORNITHINE (CAS# 70-26-8); (M-H)- 1.2761 0.6085 1.2074 NA
L-RHAMNOSE (CAS# 10030-85-0); (M+CL)- 1.0000 NA NA NA
L-RHAMNOSE (CAS# 10030-85-0); (M+HCOO)- 1.7767 0.2233 NA NA
L-TRYPTOPHAN-15N2 [ISTD] (CAS# ); (M-H)- 0.8158 1.2594 0.9249 NA
LYSINE (CAS# 56-87-1); (M-H)- 0.7841 1.2087 1.0072 NA
MALATE (CAS# 97-67-6); (M-H)- 0.9074 1.1793 0.9134 NA
MALEIC ACID (CAS# 110-16-7); (M-H)- 1.3949 0.7931 0.8119 NA
MALONATE (CAS# 141-82-2); (M-H)- 1.2398 0.6292 1.0073 NA
MALONIC ACID-D4 (CAS# 813-56-9); (M-H)- 1.2398 0.6292 1.0073 NA
MALTOSE (CAS# 69-79-4); (M+CL)- 1.0000 NA NA NA
MALTOSE (CAS# 69-79-4); (M+HCOO)- NA 1.0000 NA NA
MANDELIC ACID (CAS# 611-71-2); (M-H)- 0.5891 0.8721 1.4962 NA
MELIBIOSE (CAS# 585-99-9); (M+CL)- 1.0000 NA NA NA
MELIBIOSE (CAS# 585-99-9); (M+HCOO)- NA 1.0000 NA NA
METHIONINE (CAS# 63-68-3); (M-H)- 1.0000 NA NA NA
METHYL BETA-D-GALACTOSIDE (CAS# 1824-94-8); (M+CL)- NA 1.0000 NA NA
METHYL BETA-D-GALACTOSIDE (CAS# 1824-94-8); (M+HCOO)- 0.5335 1.2364 1.2301 NA
METHYLMALONATE (CAS# 516-05-2); (M-H)- 0.9358 0.6309 1.4333 NA
MONO-METHYL GLUTARATE (CAS# 1501-27-5); (M-H)- 0.5615 0.8265 1.6120 NA
MYRISTIC ACID (CAS# 544-63-8); (M-H)- 0.8856 1.0052 1.1092 NA
MYRISTOLEIC ACID (CAS# 544-64-9); (M-H)- 0.7276 1.0836 1.1888 NA
N1-ACETYLSPERMINE (CAS# 77928-70-2); (M+CL)- 1.0000 NA NA NA
N-ACETYL-D-GLUCOSAMINE (CAS# 7512-17-6); (M+CL)- 1.5486 0.4393 0.4756 NA
N-ACETYL-DL-METHIONINE (CAS# 1115-47-5); (M-H)- 1.0000 NA NA NA
N-ACETYL-D-MANNOSAMINE (CAS# 3615-17-6); (M+CL)- 1.5486 0.4393 0.4756 NA
N-ACETYL-D-TRYPTOPHAN (CAS# 2280-01-5); (M-H)- 0.7324 1.3139 0.9536 NA
N-ACETYLGALACTOSAMINE (CAS# 1811-31-0); (M+CL)- 1.5486 0.4393 0.4756 NA
N-ACETYLGLYCINE (CAS# 543-24-8); (M-H)- 0.4041 NA 1.2979 NA
N-ACETYL-L-ALANINE (CAS# 97-69-8); (M-H)- 1.0000 NA NA NA
N-ACETYL-L-CYSTEINE (CAS# 616-91-1); (M-H)- NA 1.0000 NA NA
N-ACETYL-L-LEUCINE (CAS# 1188-21-2); (M-H)- 0.2506 0.4607 2.2887 NA
N-ACETYL-L-PHENYLALANINE (CAS# 2018-61-3); (M-H)- 0.6421 0.8339 1.5239 NA
N-ACETYLNEURAMINATE (CAS# 131-48-6); (M-H)- 1.6518 0.9322 0.6106 NA
NAD (CAS# 53-84-9); (M-H)- NA NA 1.0000 NA
NERVONIC ACID (CAS# 506-37-6); (M-H)- 0.8841 1.0351 1.1212 NA
NICOTINAMIDE HYPOXANTHINE DINUCLEOTIDE (CAS# 22052-73-9); (M-H)- NA 1.0000 NA NA
NICOTINATE (CAS# 59-67-6); (M-H)- 1.7213 0.2787 NA NA
N-NITROSODIETHANOLAMINE (CAS# 1116-54-7); (M+CL)- 0.4334 NA 1.5666 NA
N-OLEOYLGLYCINE (CAS# 2601-90-3); (2M-H)- NA 1.0000 NA NA
NORLEUCINE (CAS# 327-57-1); (M-H)- 0.9668 0.9418 1.0720 NA
OLEIC ACID (CAS# 112-80-1); (M-H)- 0.5718 1.2010 1.2272 NA
OMEGA-HYDROXYDODECANOIC ACID (CAS# 505-95-3); (M-H)- NA 0.5500 1.3000 NA
OROTATE (CAS# 65-86-1); (M-H)- 1.0000 NA NA NA
OXALOACETATE (CAS# 328-42-7); (M-H)-[-H2O] 1.0000 NA NA NA
OXIDIZED GLUTATHIONE (CAS# 27025-41-8); (M-H)- 0.6915 1.6549 0.6536 NA
PALATINOSE (CAS# 343336-76-5); (M+CL)- 1.0000 NA NA NA
PALATINOSE (CAS# 343336-76-5); (M+HCOO)- NA 1.0000 NA NA
PALMITATE (CAS# 57-10-3); (M-H)- 0.7363 0.9161 1.3476 NA
PALMITOLEIC ACID (CAS# 373-49-9); (M-H)- 0.7407 1.1219 1.1374 NA
PANTOTHENATE (CAS# 79-83-4); (M+CL)- 0.4801 1.5581 0.9618 NA
PANTOTHENATE (CAS# 79-83-4); (M-H)- 0.6697 1.2027 1.1275 NA
PHENYL ACETATE (CAS# 122-79-2); (M-H)- NA 1.0000 NA NA
PHENYL ACETATE (CAS# 122-79-2); (M+HCOO)- 0.6613 1.4980 0.8408 NA
PHENYLALANINE (CAS# 63-91-2); (M-H)- 0.9884 1.1594 0.8522 NA
PHENYLPYRUVATE (CAS# 156-06-9); (M-H)- 0.4860 0.7595 1.4118 NA
PHOSPHOCREATINE (CAS# 67-07-2); (M-H)- NA 1.0000 NA NA
PHTHALATE (CAS# 88-99-3); (M-H)- 1.0264 0.2488 1.7249 NA
PICOLINIC ACID (CAS# 98-98-6); (M-H)- 1.6980 0.3020 NA NA
PROCOLLAGEN 5-HYDROXY-L-LYSINE (CAS# 1190-94-9); (M-H)- NA 1.0000 NA NA
PROSTAGLANDIN E2 (CAS# 363-24-6); (M-H)- NA 1.0000 NA NA
PURINE (CAS# 120-73-0); (M-H)- 1.3309 0.9552 0.7139 NA
PYRUVATE (CAS# 127-17-3); (M-H)- 1.0000 NA NA NA
RAC-GLYCEROL 1-MYRISTATE (CAS# 75685-84-6); (M+CL)- 0.6685 NA 1.3315 NA
RAC-GLYCEROL 1-MYRISTATE (CAS# 75685-84-6); (M+HCOO)- NA NA 1.0000 NA
RAFFINOSE (CAS# 512-69-6); (M+CL)- 1.4856 0.6070 0.4218 NA
RETINOATE (CAS# 302-79-4); (M-H)- 0.9722 0.8358 1.0733 NA
RIBOFLAVIN (CAS# 83-88-5); (M+CL)- NA 1.0000 NA NA
RIBOFLAVIN (CAS# 83-88-5); (M-H)- NA 1.2262 0.7738 NA
RIBOFLAVIN (CAS# 83-88-5); (M+HCOO)- NA 1.2017 0.6974 NA
RIBOSE 5-PHOSPHATE (CAS# 4300-28-1); (M-H)- NA 1.0000 NA NA
RIBOSE (CAS# 50-69-1); (M+CL)- 1.2630 NA 0.7370 NA
ROSMARINIC ACID (CAS# 20283-92-5); (M-H)- NA 1.1112 0.8888 NA
(S)-2-AMINO-3-(3-HYDOXY-4-OXO-4H-PYRIDIN-1-YL)PROPANOATE OR L-MIMOSINE (CAS# 500-44-7); (M-H)- NA 1.0000 NA NA
(S)-3-METHYL-2-OXOPENTANOATE (CAS# 1460-34-0); (M-H)- 0.5256 1.2003 1.2741 NA
S-ADENOSYL-L-HOMOCYSTEINE (CAS# 979-92-0); (M-H)- 1.1116 0.5472 1.2854 NA
SALICYLATE (CAS# 69-72-7); (M-H)- 0.4661 0.9506 1.5833 NA
SALICYLURIC ACID (CAS# 487-54-7); (M-H)- NA NA 1.0000 NA
(S)-DIHYDROOROTATE (CAS# 5988-19-2); (M-H)- 1.0000 NA NA NA
SEBACIC ACID (CAS# 111-20-6); (M-H)- 1.2957 0.8143 0.8900 NA
SERINE (CAS# 56-45-1); (M-H)- 0.9610 0.8861 1.1530 NA
SN-GLYCERO-3-PHOSPHOCHOLINE (CAS# 28319-77-9); (M+HCOO)- 1.0000 NA NA NA
STACHYOSE (CAS# 54261-98-2); (M+CL)- 1.0000 NA NA NA
STEARATE (CAS# 57-11-4); (M-H)- 0.7194 0.8937 1.3869 NA
SUBERIC ACID (CAS# 505-48-6); (M-H)- 0.5906 1.3829 0.8901 NA
SUCCINATE (CAS# 110-15-6); (M-H)- 1.0352 0.7995 1.1653 NA
SUCROSE (CAS# 57-50-1); (M+CL)- 1.0000 NA NA NA
SUCROSE (CAS# 57-50-1); (M+HCOO)- NA 1.0000 NA NA
TAURINE (CAS# 107-35-7); (M-H)- 0.9603 1.0034 1.0544 NA
TEREPHTHALATE (CAS# 100-21-0); (M-H)- 1.1470 NA 0.9265 NA
THROMBOXANE B2 (CAS# 54397-85-2); (M-H)- NA NA 1.0000 NA
THROMBOXANE B2 (CAS# 54397-85-2); (M-H)-[-H2O] NA 0.8658 1.1342 NA
THYMIDINE (CAS# 50-89-5); (M+CL)- 0.5199 1.5021 0.9780 NA
THYMIDINE (CAS# 50-89-5); (M-H)- 0.7154 1.2824 1.0021 NA
THYMIDINE (CAS# 50-89-5); (M+HCOO)- 0.7253 1.2909 0.9838 NA
THYMINE (CAS# 65-71-4); (M-H)- NA NA 1.0000 NA
THYROXINE (CAS# 51-48-9); (M-H)- 0.7654 1.2716 1.1606 NA
TRANS-ACONITATE (CAS# 4023-65-8); (M-H)- 0.6395 1.1314 1.1089 NA
TRANS-VACCENIC ACID (CAS# 693-72-1); (M-H)- 0.5718 1.2010 1.2272 NA
TRICARBALLYLIC ACID (CAS# 99-14-9); (M-H)- 0.0939 0.1913 2.4128 NA
TRICARBALLYLIC ACID (CAS# 99-14-9); (M-H)-[-H2O] 0.3789 0.4924 1.9595 NA
TRICOSANOIC ACID (CAS# 2433-96-7); (M-H)- NA 1.0000 NA NA
TRYPTOPHAN (CAS# 73-22-3); (M-H)- 0.8467 1.2990 0.7814 NA
TYROSINE (CAS# 60-18-4); (M-H)- 1.0335 1.1235 0.8430 NA
URATE (CAS# 69-93-2); (M-H)- 1.2144 0.9449 0.8407 NA
URIDINE-5-MONOPHOSPHATE (CAS# 58-97-9); (M-H)- NA NA 1.0000 NA
URIDINE (CAS# 58-96-8); (M+CL)- 1.1912 1.2581 0.5507 NA
URIDINE (CAS# 58-96-8); (M-H)- 0.6455 1.6897 0.8421 NA
URIDINE (CAS# 58-96-8); (M+HCOO)- 0.6174 1.6861 0.6965 NA
UROCANATE (CAS# 104-98-3); (M-H)- 1.8740 0.1071 0.4237 NA
URSODIOL (CAS# 128-13-2); (M-H)- 0.2374 0.3157 2.1927 NA
URSODIOL (CAS# 128-13-2); (M+HCOO)- 0.5625 0.9842 1.4533 NA
VALINE (CAS# 72-18-4); (M-H)- 0.4971 1.3481 1.3096 NA
XANTHOSINE (CAS# 146-80-5); (M-H)- 0.4690 1.5207 1.0309 NA
XANTHURENIC ACID (CAS# 59-00-7); (M-H)- 0.8573 0.9110 1.2317 NA
XYLOSE (CAS# 58-86-6); (M+HCOO)- 1.6276 0.5503 0.8221 NA
ZEATIN [ISTD] (CAS# 13114-27-7); (M+CL)- 0.8422 1.1106 1.0473 NA
ZEATIN [ISTD] (CAS# 13114-27-7); (M-H)- 0.8359 1.1474 1.0166 NA
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Factors:

F1Days post-STZ:-
F2Days post-STZ:3
F3Days post-STZ:30
F4Days post-STZ:POOLED
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