Data for Metabolomics of cilia and modulation of renal microcirculation (Study ST000756)

(Analysis AN001187)

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

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MetaboliteF1F2F3F4
10-HYDROXYDECANOATE (CAS# 1679-53-4); (M+NA)+ 0.8251 1.4640 0.9429 NA
11-DEOXYCORTISOL (CAS# 152-58-9); (M+H)+ 0.7754 1.1126 1.1871 NA
16:0-18:0 PC (CAS# 59403-51-9); (M+H)+ 1.7716 0.9572 0.7571 NA
16:0-18:0 PC (CAS# 59403-51-9); (M+NA)+ 0.9774 1.3829 0.8950 NA
16:0 LYSO PC (CAS# 17364-16-8); (M+H)+ 0.9994 1.4441 0.8526 NA
16:0 LYSO PC (CAS# 17364-16-8); (M+NA)+ 1.1246 0.1946 1.1439 NA
18:0 LYSO-PE (CAS# 69747-55-3); (2M+NA)+ 0.4748 NA 1.5252 NA
18:0 LYSO-PE (CAS# 69747-55-3); (M+H)+ NA NA 1.0000 NA
1-AMINOCYCLOPROPANE-1-CARBOXYLATE (CAS# 22059-21-8); (M+H)+ 0.9858 0.8312 1.0704 NA
1-METHYLADENOSINE (CAS# 15763-06-1); (M+H)+ NA 0.7459 1.2541 NA
1-OLEOYL-RAC-GLYCEROL (CAS# 111-03-5); (M+NA)+ 1.8439 0.5100 0.3194 NA
20:0 LYSO PC (CAS# 108341-80-6); (M+NA)+ 0.7751 1.1606 1.0964 NA
24:0 SM (D18:1/24:0) (CAS# 60037-60-7); (M+NA)+ 1.0000 NA NA NA
2-DEOXY-D-GLUCOSE (CAS# 154-17-6); (M+NA)+ 1.0000 NA NA NA
2^-DEOXYGUANOSINE (CAS# 961-07-9); (M+H)+ 0.6412 1.3399 1.0189 NA
2-HYDROXY-4-(METHYLTHIO)BUTYRIC ACID (CAS# 583-91-5); (M+NA)+ NA NA 1.0000 NA
2-HYDROXYBUTYRATE (CAS# ); (M+NA)+ 1.0000 NA NA NA
2-METHYLGLUTARIC ACID (CAS# 18069-17-5); (M+H)+[-H2O] 0.7317 0.9933 1.5433 NA
2-METHYLMALEATE (CAS# 498-23-7); (M+H)+ 0.9879 NA 1.0242 NA
2-METHYLPROPANAL OXIME (CAS# 151-00-8); (M+H)+[-H2O] 1.4486 0.6498 0.8177 NA
3-(4-HYDROXYPHENYL)LACTATE (CAS# 6482-98-0); (M+H)+ 0.8617 NA 1.2074 NA
3-(4-HYDROXYPHENYL)LACTATE (CAS# 6482-98-0); (M+NA)+ NA NA 1.0000 NA
3-AMINO-4-HYDROXYBENZOIC ACID (CAS# 1571-72-8); (M+H)+ 1.0000 NA NA NA
3-AMINOISOBUTANOATE (CAS# 144-90-1); (M+H)+[-H2O] 1.2331 1.0078 0.8795 NA
3-DEHYDROSHIKIMATE (CAS# 2922-42-1); (M+H)+[-H2O] NA 1.0000 NA NA
3-DEHYDROXYCARNITINE (CAS# 407-64-7); (M+H)+ 1.9013 0.9756 0.4073 NA
3-HYDROXY-3-METHYLGLUTARATE (CAS# 503-49-1); (M+NA)+ NA NA 1.0000 NA
3-HYDROXYBENZALDEHYDE (CAS# 100-83-4); (M+H)+[-H2O] 0.6426 2.0884 0.9947 NA
3-HYDROXYBENZYL ALCOHOL (CAS# 620-24-6); (M+H)+ NA 1.0000 NA NA
3-METHOXYTYROSINE (CAS# 4214-13-5); (M+H)+ 1.0000 NA NA NA
3-METHYGLUTARIC ACID (CAS# 626-51-7); (M+H)+[-H2O] 0.4789 0.9946 1.5265 NA
3-METHYL-2-BUTENAL (CAS# 107-86-8); (M+NA)+ 0.8824 NA 1.0784 NA
3-METHYLADIPIC ACID (CAS# 3058-01-3); (M+NA)+ 0.7028 NA 1.2972 NA
3-METHYLXANTHINE (CAS# 1076-22-8); (M+H)+ NA NA 1.0000 NA
4-ACETAMIDOBUTANOATE (CAS# 3025-96-5); (M+NA)+ 1.0729 0.7812 NA NA
4-GUANIDINOBUTANOATE (CAS# 463-00-3 ); (M+H)+ 1.0000 NA NA NA
4-HYDROXY-2-QUINOLINECARBOXYLIC ACID-KRYNURENIC ACID (CAS# 492-27-3); (M+H)+ 1.0000 NA NA NA
4-HYDROXY-3-METHOXYPHENYLGLYCOL (CAS# 67423-45-4); (M+H)+[-H2O] 0.9524 1.0476 NA NA
4-HYDROXYPHENYLACETATE (CAS# 156-38-7); (M+H)+ 0.4343 NA 1.3772 NA
4-METHYL-2-OXOVALERIC ACID (CAS# 816-66-0); (M+NA)+ 0.4728 0.8996 1.3849 NA
4-METHYLCATECHOL (CAS# 452-86-8); (M+H)+ 0.8985 NA 1.1015 NA
4-PYRIDOXATE (CAS# 82-82-6); (M+H)+ 1.4579 0.9969 0.5452 NA
4-PYRIDOXATE (CAS# 82-82-6); (M+H)+[-H2O] 1.0000 NA NA NA
4-PYRIDOXATE (CAS# 82-82-6); (M+NA)+ 1.1322 1.7295 0.6687 NA
4-QUINOLINECARBOXYLIC ACID (CAS# 486-74-8); (M+H)+ 0.7849 2.6528 0.6641 NA
5ALPHA-CHOLEST-7-EN-3BETA-OL (CAS# 80-99-9); (M+H)+[-H2O] 0.9841 1.2216 0.9420 NA
5-AMINOPENTANOATE (CAS# 660-88-8); (M+H)+ 1.0600 0.9532 0.9556 NA
5-METHYLCYTOSINE (CAS# 554-01-8); (M+H)+ 1.1422 NA 0.9289 NA
5-METHYLTETRAHYDROFOLATE (CAS# 134-35-0); (M+H)+ 1.0000 NA NA NA
5^-METHYLTHIOADENOSINE (CAS# 2457-80-9); (M+H)+ 0.5342 1.4658 NA NA
5^-METHYLTHIOADENOSINE (CAS# 2457-80-9); (M+NA)+ 0.7399 NA 1.2601 NA
5-OXOPROLINE (CAS# 4042-36-8); (M+H)+ 1.7417 0.2164 0.5195 NA
5-VALEROLACTONE (CAS# 542-28-9); (M+H)+ 0.3948 0.9489 1.6223 NA
6-CARBOXYHEXANOATE (CAS# 111-16-0); (M+NA)+ 0.6652 NA 1.1674 NA
ABRINE (CAS# 526-31-8); (M+H)+ 1.0000 NA NA NA
ACETAMINOPHEN (TN TYLENOL) (CAS# 103-90-2); (M+NA)+ NA 1.0974 0.9026 NA
ACETOACETATE (CAS# 541-50-4); (M+H)+ 1.1306 0.4402 1.2987 NA
ADENINE (CAS# 73-24-5); (M+H)+ 1.3007 0.5318 0.7830 NA
ADENOSINE 5^-MONOPHOSPHATE (CAS# 61-19-8); (2M+H)+ NA NA 1.0000 NA
ADENOSINE 5^-MONOPHOSPHATE (CAS# 61-19-8); (M+H)+ 0.4833 1.3150 1.1009 NA
ADENOSINE (CAS# 58-61-7); (M+H)+ 0.6412 1.3399 1.0189 NA
AHBA (CAS# 76045-71-1); (M+H)+ 1.0000 NA NA NA
ALANINE (CAS# 56-41-7); (M+H)+ 1.2611 1.1732 0.6524 NA
ALLOSE (CAS# 2595-97-3); (M+NA)+[-H2O] NA NA 1.0000 NA
ALPHA-TOCOPHEROL (CAS# 59-02-9); (M+H)+ 0.7725 1.3288 1.1179 NA
ANTHRANILATE (CAS# 118-92-3); (M+H)+ NA 1.0000 NA NA
AZELAIC ACID (CAS# 123-99-9); (M+NA)+ 0.6748 1.1791 1.3982 NA
BENZYLAMINE (CAS# 100-46-9); (M+H)+ NA 1.3200 0.6800 NA
BETA-ALANINE (CAS# 107-95-9); (M+H)+ 1.2473 1.1604 0.6725 NA
BETAINE (CAS# 107-43-7); (M+H)+ 1.3611 1.1400 0.5922 NA
BETAINE (CAS# 107-43-7); (M+NA)+ 2.1005 0.1311 0.1891 NA
BILIRUBIN (CAS# 635-65-4); (M+H)+[-H2O] 1.0000 NA NA NA
BIS(2-ETHYLHEXYL)PHTHALATE (CAS# 117-81-7); (M+H)+ 1.1717 NA 0.8283 NA
BIS(2-ETHYLHEXYL)PHTHALATE (CAS# 117-81-7); (M+NA)+ 1.0817 0.8689 0.9621 NA
C12 GALACTOSYL(BETA) CERAMIDE (D18:1/12:0) (CAS# 41613-14-3); (M+H)+ 0.9984 1.0016 NA NA
C12 GALACTOSYL(BETA) CERAMIDE (D18:1/12:0) (CAS# 41613-14-3); (M+NA)+ NA NA 1.0000 NA
CAFFEINE (CAS# 58-08-2); (M+NA)+ 0.3734 1.5788 1.0239 NA
CATECHOL (CAS# 120-80-9); (M+H)+ NA NA 1.0000 NA
CHOLATE (CAS# 81-25-4); (2M+H)+ 0.0217 0.2820 1.5654 NA
CHOLATE (CAS# 81-25-4); (2M+H)+[-H2O] NA 0.2190 1.2603 NA
CHOLATE (CAS# 81-25-4); (2M+NA)+ 0.0119 0.2359 1.5841 NA
CHOLATE (CAS# 81-25-4); (M+NA)+ 0.1960 0.9703 1.8139 NA
CHOLESTEROL (CAS# 57-88-5); (M+H)+[-H2O] 0.9841 1.2216 0.9421 NA
CHOLINE (CAS# 62-49-7); M+ 1.7055 0.5239 0.4532 NA
CHOLINE PHOSPHATE (CAS# 107-73-3); (M+H)+ 1.0000 NA NA NA
CIS-VACCENIC ACID (CAS# 506-17-2); (M+H)+ 0.5493 0.7251 1.5423 NA
CIS-VACCENIC ACID (CAS# 506-17-2); (M+K)+ NA NA 1.0000 NA
CIS-ZEATIN (CAS# 1637-39-4); (M+H)+ 0.8775 1.3167 1.0170 NA
CITRAMALATE (CAS# 2306-22-1); (M+H)+ NA NA 1.0000 NA
CITRATE (CAS# 77-92-9); (M+NA)+ 0.6823 1.2328 1.2401 NA
CITRULLINE (CAS# 372-75-8); (M+NA)+ 1.0527 NA 0.9473 NA
CORTICOSTERONE (CAS# 50-22-6); (M+H)+ 0.7751 1.1421 1.1775 NA
(-)-COTININE (CAS# 486-56-6); (M+H)+ 0.3617 1.4933 1.7108 NA
CREATINE (CAS# 57-00-1); (M+H)+ 1.1294 NA 0.9137 NA
CYTIDINE (CAS# 65-46-3); (2M+H)+ 1.3352 1.0141 0.6577 NA
CYTIDINE (CAS# 65-46-3); (M+H)+ 1.5214 0.5933 0.6141 NA
CYTOSINE (CAS# 71-30-7); (M+H)+ 1.1278 NA 0.6167 NA
D-(-)-ARABINOSE (CAS# 10323-20-3); (M+NA)+ 1.9037 0.5886 0.2334 NA
DEBRISOQUIN (CAS# 581-88-4); (M+H)+ 1.0540 NA 0.8920 NA
DECANOATE (CAS# 334-48-5); (2M+NA)+ 1.0000 NA NA NA
DEOXYCHOLIC ACID (CAS# 83-44-3); (2M+NA)+ NA NA 1.0000 NA
DEOXYCHOLIC ACID (CAS# 83-44-3); (M+H)+ 1.2829 NA 0.8586 NA
DEOXYCHOLIC ACID (CAS# 83-44-3); (M+NA)+ 0.1687 0.2079 1.8182 NA
DEOXYCYTIDINE (CAS# 951-77-9); (2M+H)+ 1.1454 2.1425 0.4738 NA
DEOXYCYTIDINE (CAS# 951-77-9); (2M+NA)+ 1.4659 0.0683 NA NA
DEOXYCYTIDINE (CAS# 951-77-9); (M+NA)+ 1.2640 0.4719 NA NA
DESMOSTEROL (CAS# 313-04-2); (M+H)+[-H2O] NA NA 1.0000 NA
DGMP (CAS# 902-04-5); (M+H)+ 0.0943 1.4605 1.2226 NA
DIMETHYL MALEATE (CAS# 624-48-6); (M+NA)+ 0.5679 1.5443 1.1066 NA
DI-TERT-BUTYL DICARBONATE (CAS# 24424-99-5); (M+NA)+ 1.1676 0.4657 1.0157 NA
D-ORNITHINE (CAS# 348-66-3); (M+H)+ 1.0748 0.7386 1.0371 NA
EDTA (CAS# 60-00-4); (M+H)+ 0.3111 0.9498 1.2464 NA
EDTA (CAS# 60-00-4); (M+NA)+ 1.4763 1.7526 0.5904 NA
ELAIDIC ACID (CAS# 112-79-8); (M+H)+ 0.5493 0.7251 1.5423 NA
ELAIDIC ACID (CAS# 112-79-8); (M+NA)+ 0.9159 1.2662 0.9954 NA
EPINEPHRINE (CAS# 51-43-4); (M+H)+ NA NA 1.0000 NA
EPINEPHRINE (CAS# 51-43-4); (M+H)+[-H2O] 1.0000 NA NA NA
ESTRADIOL-17BETA (CAS# 50-28-2); (M+NA)+ 1.0326 NA 0.9837 NA
FRUCTOSE (CAS# 57-48-7); (M+NA)+ 1.6448 0.6531 0.4708 NA
GLUCOSE (CAS# 50-99-7); (M+NA)+ 1.7797 0.2381 0.4742 NA
GLUTAMATE (CAS# 56-86-0); (M+H)+[-H2O] 1.0000 NA NA NA
GLUTAMINE (CAS# 56-85-9); (M+NA)+ 1.0000 NA NA NA
GLUTARATE (CAS# 110-94-1); (M+NA)+[-H2O] NA NA 1.0000 NA
GLUTATHIONE (CAS# 27025-41-8); (M+H)+ 0.6402 2.4124 0.8890 NA
GLUTATHIONE (CAS# 27025-41-8); (M+H2)+2 1.0000 NA NA NA
GLYCERALDEHYDE (CAS# 367-47-5); (2M+NA)+[-H2O] NA NA 1.0000 NA
GLYCOCHENODEOXYCHOLATE (CAS# 640-79-9); (M+H)+ NA NA 1.0000 NA
GLYCOCHENODEOXYCHOLATE (CAS# 640-79-9); (M+H)+[-H2O] 1.0000 NA NA NA
GLYCOCHENODEOXYCHOLATE (CAS# 640-79-9); (M+NA)+ 0.1916 NA 1.8084 NA
GLYCOCHOLATE (CAS# 475-31-0); (2M+NA)+ NA NA 1.0000 NA
GLYCOCHOLATE (CAS# 475-31-0); (M+H)+ NA NA 1.0000 NA
GLYCOCHOLATE (CAS# 475-31-0); (M+H)+[-H2O] NA NA 1.0000 NA
GLYCOCHOLATE (CAS# 475-31-0); (M+NA)+ 0.9949 1.6223 0.7976 NA
GUAIFENESIN (CAS# 93-14-1); (M+NA)+ NA 1.1893 0.8107 NA
GUANINE (CAS# 73-40-5); (M+H)+ 1.3568 0.7633 0.7221 NA
GUANINE (CAS# 73-40-5); (M+NA)+ 1.0000 NA NA NA
GUANOSINE (CAS# 118-00-3); (M+H)+ 1.0000 NA NA NA
HIPPURATE (CAS# 495-69-2); (M+H)+ 0.7788 1.2796 0.9415 NA
HIPPURATE (CAS# 495-69-2); (M+NA)+ 0.5718 1.9566 1.1641 NA
HISTAMINE (CAS# 51-45-6); (M+H)+ 0.8834 1.3149 0.9184 NA
HOMOGENTISATE (CAS# 451-13-8); (M+H)+ 1.0000 NA NA NA
HOMOGENTISATE (CAS# 451-13-8); (M+NA)+ 1.0000 NA NA NA
HOMOVANILLATE (CAS# 306-08-1); (M+H)+ 1.0000 NA NA NA
HYODEOXYCHOLATE (CAS# 83-49-8); (M+NA)+ NA NA 1.0000 NA
INDOLE-3-ACETALDEHYDE (CAS# 2591-98-2); (M+H)+ 0.1834 1.9299 1.2344 NA
INDOLE-3-ACETATE (CAS# 87-51-4); (M+H)+ 0.8253 1.9396 0.7922 NA
INDOLE-3-ACETATE (CAS# 87-51-4); (M+NA)+ 0.8048 1.7610 0.8147 NA
INDOLE-3-ETHANOL (CAS# 526-55-6); (M+H)+ 0.8080 1.3840 NA NA
INOSINE (CAS# 58-63-9); (M+H)+ 1.0000 NA NA NA
INOSINE (CAS# 58-63-9); (M+NA)+ 1.2765 0.2873 0.8832 NA
ISOLEUCINE (CAS# 73-32-5); (M+H)+ 0.5151 1.1688 1.4286 NA
ISOLEUCINE (CAS# 73-32-5); (M+NA)+ 0.7498 0.7719 1.2428 NA
JASMONIC ACID [ISTD] (CAS# 77026-92-7); (M+NA)+ 0.7938 1.5435 1.0752 NA
KYNURENINE (CAS# 343-65-7); (M+H)+ 0.7063 2.2623 0.8729 NA
KYNURENINE (CAS# 343-65-7); (M+NA)+ 0.6791 2.1061 0.8566 NA
L-ALLOTHREONINE (CAS# 28954-12-3); (M+H)+[-H2O] NA NA 1.0000 NA
LANOSTEROL (CAS# 79-63-0); (M+NA)+ 0.8424 1.3153 NA NA
L-ARGININE (CAS# 74-79-3); (M+H)+ 1.0000 NA NA NA
L-CARNITINE (CAS# 541-15-1); (M+H)+ 1.4368 0.0812 0.8694 NA
LEUCINE (CAS# 328-39-2); (M+H)+ 0.5151 1.1688 1.4286 NA
LEUCINE (CAS# 328-39-2); (M+NA)+ 0.7535 0.6713 1.2739 NA
LEUKOTRIENE B4 (CAS# 71160-24-2); (M+H)+[-H2O] NA 1.6128 0.3872 NA
LEVORPHANOL (CAS# 77-07-6); (M+H)+ NA NA 1.0000 NA
LITHOCHOLIC ACID (CAS# 434-13-9); (M+NA)+ 0.9352 0.5429 1.5220 NA
L-ORNITHINE (CAS# 70-26-8); (M+H)+ 1.0748 0.7386 1.0371 NA
L-TRYPTOPHAN-15N2 [ISTD] (CAS# ); (M+H)+ 0.7790 1.4506 1.0708 NA
LYSINE (CAS# 56-87-1); (M+H)+ 1.6315 0.8183 0.4290 NA
LYSINE (CAS# 56-87-1); (M+NA)+ 1.1517 0.6966 NA NA
MELATONIN (CAS# 73-31-4); (M+NA)+ NA NA 1.0000 NA
METHIONINE (CAS# 63-68-3); (M+H)+ 1.3477 0.7497 0.7357 NA
METHYL JASMONATE (CAS# 1211-29-6); (M+NA)+ 0.9891 1.1148 0.9726 NA
METHYLMALONATE (CAS# 516-05-2); (M+NA)+ NA NA 1.0000 NA
MEVALONIC ACID (CAS# 674-26-0); (M+NA)+ NA NA 1.0000 NA
MONO-METHYL GLUTARATE (CAS# 1501-27-5); (M+H)+[-H2O] 0.6554 1.3446 NA NA
MYO-INOSITOL (CAS# 87-89-8); (M+NA)+ 0.9357 0.7489 1.1480 NA
N-ACETYL-DL-GLUTAMIC ACID (CAS# 5817-08-3); (M+NA)+ 0.6159 NA 1.7681 NA
N-ACETYL-DL-METHIONINE (CAS# 1115-47-5); (M+NA)+ 0.7138 NA 1.2862 NA
N-ACETYL-DL-SERINE (CAS# 97-14-3); (M+H)+[-H2O] 1.1276 0.7172 0.8999 NA
N-ACETYL-L-ALANINE (CAS# 97-69-8); (M+NA)+ 1.4197 0.6979 0.9608 NA
N-ACETYL-L-ASPARTIC ACID (CAS# 997-55-7); (M+H)+ NA 1.0000 NA NA
N-ACETYL-L-ASPARTIC ACID (CAS# 997-55-7); (M+NA)+ 0.9194 2.0585 0.7009 NA
N-ACETYL-L-LEUCINE (CAS# 1188-21-2); (M+H)+ 0.1408 0.2189 1.8332 NA
N-ACETYL-L-LEUCINE (CAS# 1188-21-2); (M+NA)+ 0.1816 0.3134 1.7525 NA
N-ALPHA-ACETYL-L-LYSINE (CAS# 1946-82-3); (M+H)+ 1.4008 0.8515 0.7477 NA
N-CYCLOHEXYLFORMAMIDE (CAS# 766-93-8); (2M+H)+ NA NA 1.0000 NA
N-CYCLOHEXYLFORMAMIDE (CAS# 766-93-8); (M+H)+ 0.8897 1.1294 0.9809 NA
N-CYCLOHEXYLFORMAMIDE (CAS# 766-93-8); (M+NA)+ 0.9907 0.9151 1.0564 NA
NICOTINAMIDE (CAS# 98-92-0); (M+H)+ 1.1775 1.5497 0.6393 NA
NICOTINATE (CAS# 59-67-6); (M+H)+ 0.6889 NA 1.3111 NA
N-METHYLANILINE (CAS# 100-61-8); (M+H)+ NA 1.3090 0.6910 NA
N-METHYL-L-GLUTAMATE (CAS# 6753-62-4); (M+NA)+ 1.2496 1.5759 0.6417 NA
N-METHYL-L-GLUTAMATE (CAS# 6753-62-4); (M+NA)+[-H2O] NA NA 1.0000 NA
N-METHYLNICOTINATE (CAS# 535-83-1); (M+H)+ NA 0.7141 1.0953 NA
NORADRENALINE (CAS# 51-41-2); (M+H)+[-H2O] 1.2697 NA 0.5955 NA
NORLEUCINE (CAS# 327-57-1); (M+H)+ 0.7328 1.0289 1.2576 NA
NORMETANEPHRINE (CAS# 0); (M+H)+[-H2O] 0.9678 1.0096 1.0291 NA
NORVALINE (CAS# 6600-40-4); M+[-CO2H] 0.8186 0.5315 1.3376 NA
NORVALINE (CAS# 6600-40-4); (M+H)+ 0.9747 0.7336 1.1141 NA
N(PAI)-METHYL-L-HISTIDINE (CAS# 332-80-9); (M+H)+ 0.5773 1.8454 NA NA
O-ACETYLCARNITINE (CAS# 461-77-8); (M+H)+ 0.5373 1.4074 1.3269 NA
OLEIC ACID (CAS# 112-80-1); (M+NA)+ 0.9843 1.0186 1.0095 NA
OPHTHALMIC ACID (CAS# 495-27-2); (M+H)+ NA 0.3306 1.6694 NA
OXIDIZED GLUTATHIONE (CAS# 27025-41-8); (M+2H)+2 1.0000 NA NA NA
OXIDIZED GLUTATHIONE (CAS# 27025-41-8); (M+H)+ 0.6402 2.4124 0.8890 NA
PALMITOYLCARNITINE (CAS# 2364-67-2); (M+H)+ 0.6616 1.0806 1.3116 NA
PANTOTHENATE (CAS# 79-83-4); (M+H)+ 0.6450 2.1391 0.9753 NA
PANTOTHENATE (CAS# 79-83-4); (M+NA)+ 0.5797 2.1447 1.0387 NA
PARAXANTHINE (CAS# 611-59-6); (M+NA)+ 0.3236 1.5979 1.3774 NA
PHENYLALANINE (CAS# 63-91-2); (M+H)+ 0.9679 0.5313 1.1883 NA
PHENYLALANINE (CAS# 63-91-2); (M+NA)+ 1.1798 0.4475 1.0643 NA
PHENYLEPHRINE (CAS# 59-42-7); (M+H)+ 1.1255 1.4948 0.2542 NA
PHENYLETHANOLAMINE (CAS# 7568-93-6); (M+H)+ 0.9562 1.4208 0.8889 NA
PHTHALATE (CAS# 88-99-3); (M+H)+ 0.6612 1.3898 0.9490 NA
PHTHALATE (CAS# 88-99-3); (M+NA)+ NA NA 1.0000 NA
PICOLINIC ACID (CAS# 98-98-6); (M+H)+ 0.7090 NA 1.2910 NA
PIPECOLATE (CAS# 535-75-1); (M+H)+ 1.3089 0.0734 NA NA
PIPECOLATE (CAS# 535-75-1); (M+NA)+ 1.5566 NA 0.4434 NA
PROLINE (CAS# 147-85-3); (M+H)+ 1.5159 0.7573 0.6055 NA
PROLINE (CAS# 147-85-3); (M+NA)+ NA NA 1.0000 NA
PURINE (CAS# 120-73-0); (M+H)+ 1.2924 0.7896 0.7777 NA
PURINE (CAS# 120-73-0); (M+NA)+ 1.3710 1.2027 0.5277 NA
PYRIDOXAL (CAS# 66-72-8); (M+H)+ 1.7454 0.0321 0.3658 NA
PYRIDOXAL PHOSPHATE (CAS# 853645-22-4); (2M+H)+ 1.4490 0.5685 0.9942 NA
QUINOLIN-2-OL (CAS# 59-31-4); (M+H)+ 0.8380 0.8353 1.2169 NA
QUINOLIN-2-OL (CAS# 59-31-4); (M+NA)+ 0.8460 0.7270 1.2450 NA
RAFFINOSE (CAS# 512-69-6); (M+NA)+ 1.0000 NA NA NA
RIBOFLAVIN (CAS# 83-88-5); (M+NA)+ 0.6485 NA 1.1758 NA
RIBOSE (CAS# 50-69-1); (M+NA)+ 1.9037 0.5886 0.2334 NA
S-ADENOSYL-L-HOMOCYSTEINE (CAS# 979-92-0); (M+H)+ 0.4160 1.4022 1.6749 NA
(-)-SALSOLINOL (CAS# 27740-96-1); (M+H)+ 0.8320 1.2917 1.0148 NA
SARCOSINE (CAS# 107-97-1); (M+H)+ 1.2473 1.1604 0.6725 NA
SERINE (CAS# 56-45-1); (M+H)+ 1.3252 NA 0.3496 NA
SEROTONIN (CAS# 50-67-9); (M+H)+ 0.3617 1.4933 1.7108 NA
SHIKIMATE (CAS# 138-59-0); (M+H)+[-H2O] NA NA 1.0000 NA
SN-GLYCERO-3-PHOSPHOCHOLINE (CAS# 28319-77-9); (M+H)+ 0.9403 0.6815 1.4976 NA
SPERMIDINE (CAS# 124-20-9); (M+H)+ 2.0739 0.2787 0.1665 NA
SQUALENE (CAS# 111-02-4); (M+K)+ NA NA 1.0000 NA
SUBERIC ACID (CAS# 505-48-6); (M+NA)+ 0.7333 1.4343 1.0495 NA
TAUROCHENODEOXYCHOLATE (CAS# 516-35-8); (M+NA)+ NA 0.2644 1.7356 NA
TAUROCHOLATE (CAS# 81-24-3); (M+NA)+ 1.6205 0.3795 NA NA
TAUROLITHOCHOLATE (CAS# 516-90-5); (M+NA)+ NA NA 1.0000 NA
THEOBROMINE (CAS# 83-67-0); (M+NA)+ 0.3980 1.2263 1.1252 NA
THEOPHYLLINE (CAS# 58-55-9); (M+NA)+ 0.5758 0.1000 1.8742 NA
THIAMIN (CAS# 59-43-8); M+ 1.7024 0.6934 0.6042 NA
THREONINE (CAS# 72-19-5); (M+H)+[-H2O] 0.8276 NA 1.1724 NA
THYMIDINE (CAS# 50-89-5); (M+NA)+ 0.7133 1.8203 1.0133 NA
TRIBUTYRIN (CAS# 60-01-5); (M+NA)+ NA NA 1.0000 NA
TRIMETHYLAMINE (CAS# 75-50-3); (M+H)+ NA NA 1.0000 NA
TRYPTOPHANAMIDE (CAS# 20696-57-5); (M+H)+ NA NA 1.0000 NA
TRYPTOPHAN (CAS# 73-22-3); (M+H)+ 0.8347 1.8422 0.8268 NA
TRYPTOPHAN (CAS# 73-22-3); (M+NA)+ 0.9408 1.7537 0.8080 NA
TYROSINE (CAS# 60-18-4); (M+H)+ 1.0514 1.1748 0.8903 NA
TYROSINE (CAS# 60-18-4); (M+NA)+ 1.0855 NA 0.9145 NA
URATE (CAS# 69-93-2); (M+H)+ 1.2267 1.1402 0.7266 NA
URIDINE (CAS# 58-96-8); (M+NA)+ 2.0214 1.3440 0.3173 NA
UROCANATE (CAS# 104-98-3); (M+H)+ 1.5794 0.2135 0.5242 NA
URSODIOL (CAS# 128-13-2); (M+NA)+ 0.1635 0.2082 1.8216 NA
VALINE (CAS# 72-18-4); (M+H)+ 0.9221 0.7618 1.1573 NA
VALINE (CAS# 72-18-4); (M+NA)+ 1.9836 0.1970 0.2841 NA
XANTHOSINE (CAS# 146-80-5); (M+H)+ 1.0000 NA NA NA
XANTHOSINE (CAS# 146-80-5); (M+NA)+ 0.6961 1.8736 1.0127 NA
ZEATIN [ISTD] (CAS# 13114-27-7); (M+H)+ 0.8775 1.3167 1.0170 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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