Data for Effects of caloric restriction in HCR/LCR rats (Study ST000758)

(Analysis AN001191)

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

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MetaboliteF1F2F3F4F5F6F7F8F9
10-HYDROXYDECANOATE (CAS# 1679-53-4); (M+H)+[-H2O] NA 0.8631 NA 1.2007 NA NA NA 0.9361 NA
10-HYDROXYDECANOATE (CAS# 1679-53-4); (M+NA)+ NA NA NA NA NA NA NA 1.0000 NA
11-DEOXYCORTICOSTERONE (CAS# 64-85-7); (M+H)+ 0.9092 NA 0.9645 1.2550 1.0202 0.8064 0.8644 1.2589 NA
11-DEOXYCORTISOL (CAS# 152-58-9); (M+H)+ 0.8240 1.0883 1.0498 1.0507 1.0935 0.9515 0.9992 0.9240 NA
11-DEOXYCORTISOL (CAS# 152-58-9); (M+NA)+ 0.8281 1.1421 0.9846 1.0603 1.0689 1.0192 0.9675 0.9049 NA
16:0 LYSO PC (CAS# 17364-16-8); (M+H)+ 1.0404 0.5409 1.6769 1.2173 0.8716 0.3472 1.4011 0.9115 NA
16:0 LYSO PC (CAS# 17364-16-8); (M+NA)+ 1.0814 0.8999 1.1881 1.1864 1.0039 0.5826 1.1663 0.9509 NA
17ALPHA-HYDROXYPROGESTERONE (CAS# 68-96-2); (M+NA)+ NA 1.0000 NA NA NA NA NA NA NA
18:0 LYSO-PE (CAS# 69747-55-3); (2M+NA)+ NA NA 1.2377 0.7623 NA NA NA NA NA
18:0 LYSO-PE (CAS# 69747-55-3); (M+H)+ NA 0.8886 NA NA 2.2254 0.4430 NA NA NA
18:0 LYSO-PE (CAS# 69747-55-3); (M+NA)+ NA NA NA NA 1.0000 NA NA NA NA
1-AMINOCYCLOPROPANE-1-CARBOXYLATE (CAS# 22059-21-8); (M+H)+ 0.7623 0.8257 0.9090 0.9771 1.0882 1.0707 0.8716 1.4128 NA
1-METHYLADENOSINE (CAS# 15763-06-1); (M+H)+ NA 0.5813 0.9758 NA NA 0.9433 1.2124 NA NA
1-METHYLURIC ACID (CAS# 708-79-2); (M+H)+ NA NA NA NA 0.9210 NA 1.0790 NA NA
1-METHYLXANTHINE (CAS# 6136-37-4); (M+H)+ 0.9042 0.7842 1.2066 0.9182 0.9299 0.9451 1.1494 1.0935 NA
1-METHYLXANTHINE (CAS# 6136-37-4); (M+NA)+ 0.8469 0.8075 1.2311 0.9123 0.9753 1.0447 1.1063 1.0732 NA
1-OLEOYL-RAC-GLYCEROL (CAS# 111-03-5); (M+H)+[-H2O] NA NA NA NA NA NA 1.0000 NA NA
1-OLEOYL-RAC-GLYCEROL (CAS# 111-03-5); (M+NA)+ 0.6321 1.1209 1.0116 0.9152 1.0398 1.0876 0.9794 1.0900 NA
20:0 LYSO PC (CAS# 108341-80-6); (M+H)+ 0.8465 0.9382 1.1096 NA NA 0.6561 1.1415 0.9241 NA
20:0 LYSO PC (CAS# 108341-80-6); (M+NA)+ 0.7873 1.0846 1.2115 1.1567 0.7513 0.8274 1.1998 0.8538 NA
24:0 SM (D18:1/24:0) (CAS# 60037-60-7); (M+NA)+ NA NA NA 0.8045 NA NA 1.1955 NA NA
2-DEOXY-D-GLUCOSE (CAS# 154-17-6); (M+NA)+ NA 0.9784 0.8781 1.1519 1.3504 0.6946 NA 0.6690 NA
2^-DEOXYGUANOSINE (CAS# 961-07-9); (M+H)+ 0.5623 1.1703 1.0417 1.1812 0.7898 0.7927 1.2006 1.0570 NA
2-HYDROXYBUTYRATE (CAS# ); (M+NA)+ 0.8776 1.5284 0.7897 1.4107 0.6853 1.1203 0.5460 0.7810 NA
2-METHOXYESTRADIOL (CAS# 362-07-2); (M+H)+[-H2O] NA 1.0000 NA NA NA NA NA NA NA
2-METHYLGLUTARIC ACID (CAS# 18069-17-5); (M+NA)+ 0.8194 1.0897 1.1757 1.0901 1.1451 0.7412 0.7990 1.2202 NA
2-METHYLMALEATE (CAS# 498-23-7); (M+H)+ 1.3415 NA NA 0.9437 NA 0.7923 NA 1.1302 NA
2-METHYLPROPANAL OXIME (CAS# 151-00-8); (M+H)+[-H2O] 0.9144 0.7667 0.7490 1.0061 1.2200 1.1263 0.7971 1.4641 NA
3-(4-HYDROXYPHENYL)LACTATE (CAS# 6482-98-0); (M+H)+ NA NA 1.4697 NA NA NA 0.5303 NA NA
3-AMINO-4-HYDROXYBENZOIC ACID (CAS# 1571-72-8); (M+H)+ NA NA 1.0000 NA NA NA NA NA NA
3-AMINOISOBUTANOATE (CAS# 144-90-1); (M+H)+[-H2O] 0.9484 1.1653 0.6441 0.6020 1.4091 0.7107 1.2343 1.1374 NA
3BETA-HYDROXY-5ALPHA-PREGNAN-20-ONE (CAS# 516-55-2); (M+NA)+ NA 1.0000 NA NA NA NA NA NA NA
3BETA-HYDROXYANDROST-5-EN-17-ONE (CAS# 53-43-0); (M+H)+ NA 1.0000 NA NA NA NA NA NA NA
3-HYDROXY-3-METHYLGLUTARATE (CAS# 503-49-1); (M+H)+ 0.9793 1.0583 0.7565 1.4644 1.4922 0.9584 0.8632 1.0019 NA
3-HYDROXYANTHRANILATE (CAS# 548-93-6); (M+H)+ 0.9640 0.3746 0.5369 0.5378 0.6752 1.5739 1.1573 1.5860 NA
3-HYDROXYBENZALDEHYDE (CAS# 100-83-4); (M+H)+[-H2O] 1.1601 0.6597 0.9652 0.5108 0.9137 1.0302 1.4152 1.1968 NA
3-HYDROXYKYNURENINE (CAS# 2147-61-7); (M+H)+ NA NA NA NA 1.0000 NA NA NA NA
3-METHOXYTYROSINE (CAS# 4214-13-5); (M+H)+ 0.9057 1.0202 1.0249 1.3653 0.9391 1.0392 0.8113 0.8803 NA
3-METHYGLUTARIC ACID (CAS# 626-51-7); (M+NA)+ 0.8338 1.0992 1.1846 1.0743 1.1308 0.7320 0.7875 1.2460 NA
3-METHYL-2-BUTENAL (CAS# 107-86-8); (M+NA)+ NA NA NA NA 1.0000 NA NA NA NA
3-METHYLADIPIC ACID (CAS# 3058-01-3); (M+NA)+ 0.7189 0.9438 1.1771 1.0363 0.9840 0.4140 1.1491 1.0777 NA
3-METHYLXANTHINE (CAS# 1076-22-8); (M+H)+ 0.6247 0.8001 0.9582 1.0339 1.0699 0.7945 1.2975 1.1091 NA
4-ACETAMIDOBUTANOATE (CAS# 3025-96-5); (M+H)+ NA 1.2267 0.9724 NA NA NA NA 0.8009 NA
4-ACETAMIDOBUTANOATE (CAS# 3025-96-5); (M+NA)+ 0.7996 0.8507 0.8252 0.9515 1.1802 1.1384 1.2787 0.9576 NA
4-COUMARATE (CAS# 501-98-4); (M+H)+[-H2O] NA 1.0000 NA NA NA NA NA NA NA
4-GUANIDINOBUTANOATE (CAS# 463-00-3 ); (M+H)+ NA NA NA NA NA 1.0000 NA NA NA
4-HYDROXY-3-METHOXY-BENZENEMETHANOL (CAS# 498-00-0); (M+H)+[-H2O] NA NA NA NA NA 1.0000 NA NA NA
4-HYDROXY-3-METHOXYPHENYLGLYCOL (CAS# 67423-45-4); (M+H)+[-H2O] 0.7038 0.7932 1.2701 1.0023 0.9872 0.8956 1.0738 1.1554 NA
4-HYDROXYBENZALDEHYDE (CAS# 123-08-0); (M+H)+ NA NA NA NA NA NA NA 1.0000 NA
4-HYDROXY-L-PROLINE (CAS# 2584-71-6); (M+H)+ 1.1302 0.6971 0.7601 1.5656 1.1540 1.2701 1.0223 1.2655 NA
4-HYDROXYPHENYLACETATE (CAS# 156-38-7); (M+H)+ NA NA NA 0.5810 1.0280 0.2225 1.3895 NA NA
4-METHYL-2-OXOVALERIC ACID (CAS# 816-66-0); (M+NA)+ 0.7188 0.7156 0.8031 2.2348 1.3657 0.8142 0.7451 0.9670 NA
4-METHYLCATECHOL (CAS# 452-86-8); (M+H)+ NA NA NA NA NA 0.6179 NA 1.3821 NA
4-PYRIDOXATE (CAS# 82-82-6); (M+H)+ 1.2314 0.9444 1.2386 0.9477 0.9744 0.8475 1.0564 0.8264 NA
4-PYRIDOXATE (CAS# 82-82-6); (M+H)+[-H2O] 0.5065 1.1779 0.9236 NA NA 0.7713 1.6185 0.9053 NA
4-PYRIDOXATE (CAS# 82-82-6); (M+NA)+ NA 0.8261 1.3499 0.7654 0.7949 1.1208 0.9900 0.8842 NA
4-QUINOLINECARBOXYLIC ACID (CAS# 486-74-8); (M+H)+ 0.6940 0.6262 1.1730 0.6814 0.7503 1.1169 1.4640 1.3071 NA
5ALPHA-CHOLEST-7-EN-3BETA-OL (CAS# 80-99-9); (M+H)+[-H2O] 0.8688 0.7834 1.1579 1.0670 1.0220 0.8333 1.2617 0.9805 NA
5-AMINOLEVULINATE (CAS# 106-60-5); (M+H)+ 1.0088 0.6222 0.7103 1.4494 1.0301 1.9284 0.9851 1.1296 NA
5-AMINOLEVULINATE (CAS# 106-60-5); (M+NA)+ NA NA NA 1.0348 0.8740 NA 1.0912 NA NA
5-AMINOPENTANOATE (CAS# 660-88-8); (M+H)+ 0.8020 0.8956 1.3569 1.0612 1.2043 0.5036 1.0917 1.0970 NA
5-HYDROXYINDOLEACETATE (CAS# 54-16-0); (M+NA)+ NA 1.0000 NA NA NA NA NA NA NA
5-HYDROXYTRYPTOPHAN (CAS# 4350-09-8); (M+H)+ 0.2121 1.3187 0.7454 0.8725 NA NA NA 1.4111 NA
5-METHYLCYTOSINE (CAS# 554-01-8); (M+H)+ NA 1.1622 0.9514 1.1388 1.0113 NA 0.5682 2.0802 NA
5^-METHYLTHIOADENOSINE (CAS# 2457-80-9); (M+H)+ 1.0516 0.7848 0.6808 0.3600 1.1010 1.3411 1.1806 0.8753 NA
5^-METHYLTHIOADENOSINE (CAS# 2457-80-9); (M+NA)+ 1.1740 0.6303 0.6323 0.5294 1.0410 1.4055 1.0402 0.9745 NA
5-OXOPROLINE (CAS# 4042-36-8); (M+H)+ 0.6759 1.1399 1.1757 1.3084 0.8725 1.0073 0.9824 0.6848 NA
5-OXOPROLINE (CAS# 4042-36-8); (M+NA)+ 0.9150 1.1892 1.1583 1.2076 1.0663 0.9422 0.7723 0.5977 NA
5-VALEROLACTONE (CAS# 542-28-9); (M+H)+ 0.9008 1.6190 0.7834 0.8475 0.7330 1.2217 0.7959 0.9105 NA
6-CARBOXYHEXANOATE (CAS# 111-16-0); (M+NA)+ 0.7372 0.9678 1.2071 0.9072 1.0091 0.4245 1.1783 1.0643 NA
6-HYDROXYDOPAMINE (CAS# 0); (2M+H)+[-H2O] 1.3864 0.8055 0.7990 0.8394 1.1101 1.0435 1.1026 0.8083 NA
ABRINE (CAS# 526-31-8); (M+H)+ 1.0153 0.5909 0.5458 NA NA NA 1.4240 NA NA
ACETAMINOPHEN (TN TYLENOL) (CAS# 103-90-2); (M+NA)+ NA 1.1338 NA 1.4136 0.6118 NA 1.0988 0.8710 NA
ACETOACETATE (CAS# 541-50-4); (M+H)+ 1.0328 0.9448 1.0206 0.9679 0.7406 1.1854 0.8733 1.1665 NA
ACETYLCARNITINE (CAS# 461-77-8); (M+H)+ NA 0.4630 1.4488 NA 0.1906 NA NA NA NA
ACETYLCHOLINE (CAS# 51-84-3); M+ NA NA 1.0000 NA NA NA NA NA NA
ADENINE (CAS# 73-24-5); (M+H)+ 0.5072 0.9707 2.0200 1.1992 0.8994 0.3097 1.0546 0.5484 NA
ADENOSINE 5^-MONOPHOSPHATE (CAS# 61-19-8); (M+H)+ NA NA NA 0.8287 NA NA NA 1.1713 NA
ADENOSINE 5^-PHOSPHOSULFATE (CAS# 485-84-7); (M+NA)+ 0.9443 NA 0.9850 NA 1.1198 NA 0.9625 1.0409 NA
ADENOSINE (CAS# 58-61-7); (M+H)+ 0.5677 1.2007 1.0235 1.1735 0.7853 0.7900 1.1856 1.0784 NA
ADIPIC ACID (CAS# 124-04-9 ); (M+NA)+ 0.8111 1.1015 1.1870 1.0766 1.1331 0.7353 0.7891 1.2486 NA
AHBA (CAS# 76045-71-1); (M+H)+ NA NA 1.0000 NA NA NA NA NA NA
ALANINE (CAS# 56-41-7); (M+H)+ 0.5847 0.6501 0.8732 0.5447 1.4213 NA 1.3084 NA NA
ALDOSTERONE (CAS# 52-39-1); (M+H)+ NA NA 0.9957 NA NA NA NA 1.0043 NA
ALDOSTERONE (CAS# 52-39-1); (M+NA)+ NA NA NA NA NA 1.3336 NA 0.6664 NA
ALLANTOIN (CAS# 97-59-6); (M+NA)+ NA 1.0000 NA NA NA NA NA NA NA
ALLOSE (CAS# 2595-97-3); (M+H)+[-H2O] 0.9546 1.0316 0.7374 1.4274 1.4545 0.9342 1.0121 0.9766 NA
ALPHA-D-GALACTOSE 1-PHOSPHATE (CAS# 2255-14-3); (M+NA)+ NA NA NA NA NA 1.0000 NA NA NA
ALPHA-KETO-GLUTARATE (CAS# 328-50-7); (M+H)+[-H2O] NA NA NA NA NA 1.0000 NA NA NA
ALPHA-LINOLENIC ACID (CAS# 463-40-1); (M+NA)+ 0.8748 1.3712 0.6468 0.9689 0.8936 1.3481 0.6795 1.0269 NA
ALPHA-TOCOPHEROL (CAS# 59-02-9); (M+H)+ NA NA NA NA NA 1.0000 NA NA NA
ARABINOSE (CAS# 147-81-9); (M+NA)+ NA NA NA NA 0.7935 1.2345 1.1141 0.9146 NA
ARACHIDONYLCARNITINE (*) (CAS# 000-00-0); M+ NA NA NA NA NA NA NA 1.0000 NA
ASPARAGINE (CAS# 70-47-3); (M+NA)+ 1.1227 1.0052 1.0159 0.8134 0.9612 0.9715 1.2109 1.0725 NA
ASPARTATE (CAS# 56-84-8); (M+H)+ NA NA 1.0000 NA NA NA NA NA NA
ASPARTATE (CAS# 56-84-8); (M+NA)+ NA NA 1.0000 NA NA NA NA NA NA
AZELAIC ACID (CAS# 123-99-9); (M+H)+[-H2O] 0.8160 0.9674 1.0966 1.3323 0.9475 1.0632 0.9392 0.8425 NA
AZELAIC ACID (CAS# 123-99-9); (M+NA)+ 0.9151 1.0332 1.0487 1.3375 0.9322 0.7270 0.9160 1.0535 NA
BENZOATE (CAS# 65-85-0); (M+H)+ NA NA NA NA NA NA NA 1.0000 NA
BETA-ALANINE (CAS# 107-95-9); (M+H)+ 0.8190 1.0427 1.2469 0.9697 1.0405 0.8496 1.0583 0.9213 NA
BETA-ALANYL-N(PAI)-METHYL-L-HISTIDINE (CAS# 584-85-0); (M+H)+ 0.5738 0.6161 0.8304 NA 1.3701 0.9512 1.1771 1.0559 NA
BETAINE (CAS# 107-43-7); (M+H)+ 0.7610 0.9054 1.3704 1.0694 1.1802 0.5422 1.0793 1.0841 NA
BETAINE (CAS# 107-43-7); (M+NA)+ 0.8514 2.2993 2.1444 0.4921 0.3951 0.6134 1.0511 0.5427 NA
BETA-MALTOSE (CAS# 69-79-4); (M+NA)+ 0.7466 1.0658 1.1731 0.6128 1.0018 1.1127 1.2463 0.8925 NA
BIS(2-ETHYLHEXYL)PHTHALATE (CAS# 117-81-7); (M+H)+ 0.8591 1.1414 0.9027 0.9109 0.9260 1.1913 1.0304 0.9517 NA
BIS(2-ETHYLHEXYL)PHTHALATE (CAS# 117-81-7); (M+NA)+ 0.9346 1.2012 0.8014 1.0043 1.0067 1.1988 0.8551 0.9791 NA
BIURET (CAS# 108-19-0); (M+NA)+ 0.5733 NA 1.4267 NA NA NA NA NA NA
BUTYRYLCARNITINE (*) (CAS# 25576-40-3); (M+H)+ 0.6428 0.4064 1.5609 0.5293 0.8399 0.7347 2.1987 0.8364 NA
C12 GALACTOSYL(BETA) CERAMIDE (D18:1/12:0) (CAS# 41613-14-3); (M+H)+ NA 1.0000 NA NA NA NA NA NA NA
C12 GALACTOSYL(BETA) CERAMIDE (D18:1/12:0) (CAS# 41613-14-3); (M+NA)+ 0.7079 1.4023 0.9840 1.2387 0.7804 0.9736 0.6295 1.2240 NA
CAFFEINE (CAS# 58-08-2); (M+NA)+ 2.9375 0.4928 0.9380 0.8750 1.4003 0.3263 0.8402 0.9274 NA
CARNITINE (CAS# 541-15-1); (M+H)+ 0.8325 1.4857 1.4136 1.3366 0.6816 0.5730 0.8762 0.5886 NA
CARNOSINE (CAS# 305-84-0); (M+H)+ 0.7930 NA 0.9979 0.7355 0.7948 0.9197 1.0545 1.4963 NA
CELLOBIOSE (CAS# 528-50-7); (M+NA)+ 0.7471 1.0612 1.1739 0.6135 1.0025 1.1134 1.2472 0.8932 NA
CHOLATE (CAS# 81-25-4); (2M+H)+ 0.9503 1.3218 1.5993 0.6297 0.4093 NA NA NA NA
CHOLATE (CAS# 81-25-4); (2M+H)+[-H2O] NA 0.6278 1.3993 0.5736 NA NA NA NA NA
CHOLATE (CAS# 81-25-4); (2M+NA)+ 1.0916 1.2276 1.6758 0.6369 0.4066 0.1678 NA NA NA
CHOLATE (CAS# 81-25-4); (M+NA)+ 1.9749 1.0568 2.0486 1.5294 0.8958 0.2866 0.1012 0.1855 NA
CHOLESTEROL (CAS# 57-88-5); (M+H)+[-H2O] 0.8554 0.7877 1.1617 1.0647 1.0203 0.8435 1.2723 0.9638 NA
CHOLESTEROL HYDROGEN SULFATE (CAS# 1256-86-6); M+[-HSO4] 0.7866 0.5537 0.4215 0.7255 2.1574 1.3755 NA 1.4715 NA
CHOLINE (CAS# 62-49-7); M+ 0.5795 1.8565 1.8935 1.9710 0.4743 0.2760 0.6764 0.3705 NA
CHOLINE PHOSPHATE (CAS# 107-73-3); (M+H)+ NA NA NA 1.0000 NA NA NA NA NA
CHOLINE PHOSPHATE (CAS# 107-73-3); (M+NA)+ NA 1.0290 NA NA NA NA 0.9710 NA NA
CINNAMIC ACID (CAS# 140-10-3); (M+H)+[-H2O] 1.0035 1.0827 0.3993 NA 0.5908 1.3169 0.5232 1.5368 NA
CIS-VACCENIC ACID (CAS# 506-17-2); (M+H)+ 0.8368 1.2075 1.2618 1.2605 0.8789 0.7461 0.9083 0.8488 NA
CIS-ZEATIN (CAS# 1637-39-4); (M+H)+ 1.0237 0.9941 1.0201 1.0454 0.9707 0.9837 0.9933 0.9748 NA
CITRAMALATE (CAS# 2306-22-1); (M+NA)+ NA NA NA NA NA 1.0000 NA NA NA
CITRATE (CAS# 77-92-9); (M+NA)+ 0.8228 0.5133 1.0338 1.2915 0.9084 1.4761 1.3932 0.6806 NA
CITRULLINE (CAS# 372-75-8); (M+H)+ 0.7790 1.5714 1.6716 1.1616 0.3991 0.6418 0.6579 0.9631 NA
CITRULLINE (CAS# 372-75-8); (M+NA)+ 1.0966 1.1427 1.1840 1.0933 0.7137 0.9819 0.9017 0.6941 NA
CORTICOSTERONE (CAS# 50-22-6); (M+H)+ 0.8278 1.0862 1.0495 1.0546 1.0915 0.9418 1.0113 0.9194 NA
CORTICOSTERONE (CAS# 50-22-6); (M+NA)+ 0.8410 1.1437 0.9837 1.0532 1.0627 1.0259 0.9654 0.9012 NA
CORTISOL 21-ACETATE (CAS# 50-03-3); (M+H)+ NA 0.9403 NA 1.0597 NA NA NA NA NA
CORTISOL 21-ACETATE (CAS# 50-03-3); (M+NA)+ NA NA 0.9175 1.0825 NA NA NA NA NA
CORTISOL (CAS# 50-23-7); (M+NA)+ NA NA 0.2035 1.0357 0.5996 NA 0.9415 2.2197 NA
CORTISONE (CAS# 53-06-5); (M+H)+ NA 1.0941 NA 1.2583 NA NA 0.4809 0.9071 NA
(-)-COTININE (CAS# 486-56-6); (M+H)+ 0.9383 0.7163 0.9024 0.9681 1.0786 1.1253 1.3889 0.8724 NA
CREATINE (CAS# 57-00-1); (M+H)+ 0.8350 0.9819 1.1898 0.8758 1.0917 0.9404 1.1348 0.8169 NA
CREATININE (CAS# 60-27-5); (M+H)+ 0.7659 1.1108 1.4281 1.2074 0.8497 0.3970 0.9613 0.9093 NA
CREATININE (CAS# 60-27-5); (M+NA)+ 1.0307 1.2792 1.4710 0.9897 0.6438 1.0426 0.7643 0.7340 NA
CYSTATHIONINE (CAS# 56-88-2); (M+H)+[-H2O] 0.5657 0.8455 1.5917 0.3538 1.4470 0.7845 1.1425 0.9047 NA
CYSTINE (CAS# 56-89-3); (M+H)+ NA 0.7693 NA 1.7718 0.6868 1.2226 0.5574 NA NA
CYTIDINE (CAS# 65-46-3); (2M+H)+ 0.9101 NA 0.8538 0.8075 NA NA NA 1.7208 NA
CYTIDINE (CAS# 65-46-3); (M+H)+ 0.9651 0.8859 1.0676 1.2354 0.8024 0.7624 1.1162 0.8544 NA
CYTOSINE (CAS# 71-30-7); (M+H)+ 0.6492 1.0471 1.9630 0.6801 0.5980 0.6619 1.3140 0.7529 NA
CYTOSINE (CAS# 71-30-7); (M+NA)+ 1.2877 NA NA NA 0.7123 NA NA NA NA
D-(-)-ARABINOSE (CAS# 10323-20-3); (M+NA)+ NA NA NA NA 0.7935 1.2345 1.1141 0.9146 NA
DECANOATE (CAS# 334-48-5); (2M+NA)+ 0.5463 1.2597 0.5339 0.8137 NA NA NA 1.8464 NA
DECANOYLCARNITINE (*) (CAS# 000-00-0); (M+H)+ 0.8896 0.9924 1.3402 1.4303 0.7632 0.5969 0.8575 0.8887 NA
DECENOYLCARNITINE (*) (CAS# 98930-66-6); (M+H)+ 0.7939 0.6314 1.5907 1.1160 0.7320 0.5706 1.1723 0.8259 NA
DEHYDROASCORBATE (CAS# 490-83-5); (M+H)+[-H2O] NA NA NA 1.3747 NA NA 0.6253 NA NA
DEOXYCHOLIC ACID (CAS# 83-44-3); (M+NA)+ 1.0674 1.5308 1.4360 1.3702 1.0412 0.4809 0.9171 0.6431 NA
DEOXYCORTICOSTERONE ACETATE (CAS# 56-47-3); (M+NA)+ NA NA NA NA NA 1.0000 NA NA NA
DEOXYCYTIDINE (CAS# 951-77-9); (2M+H)+ 0.8998 0.7705 0.7941 1.0213 1.0491 1.3639 0.7244 1.3634 NA
DEOXYCYTIDINE (CAS# 951-77-9); (2M+NA)+ 0.6424 0.6039 1.4405 0.4293 1.3902 0.9181 1.5052 0.9107 NA
DEOXYCYTIDINE (CAS# 951-77-9); (M+H)+ 0.9072 0.8547 1.3510 0.9465 0.8645 1.0182 0.9504 1.0226 NA
DEOXYCYTIDINE (CAS# 951-77-9); (M+NA)+ 0.8586 0.8006 1.4407 0.7141 1.0821 0.9676 1.2267 0.8422 NA
DEOXYURIDINE (CAS# 951-78-0); (M+NA)+ 1.0615 1.1273 0.8416 1.0290 1.4683 0.8835 1.2032 0.5671 NA
DESMOSTEROL (CAS# 313-04-2); (M+H)+[-H2O] NA 1.1322 NA NA NA NA NA 0.8678 NA
DETHIOBIOTIN (CAS# 533-48-2); (2M+H)+ NA NA 1.0000 NA NA NA NA NA NA
DETHIOBIOTIN (CAS# 533-48-2); (M+NA)+ 0.9174 1.3422 0.8034 1.2368 1.0538 1.1140 0.8102 0.8621 NA
D-GALACTOSAMINE (CAS# 7535-00-4); (2M+NA)+ 0.8508 NA 0.7300 NA 1.3336 1.5236 0.8818 0.7983 NA
D-GALACTOSAMINE (CAS# 7535-00-4); (M+H)+ 1.0000 NA NA NA NA NA NA NA NA
D-GALACTOSAMINE (CAS# 7535-00-4); (M+K)+ NA NA 1.0000 NA NA NA NA NA NA
D-GALACTOSAMINE (CAS# 7535-00-4); (M+NA)+ NA NA NA NA NA NA NA 1.0000 NA
D-GLUCOSAMINE (CAS# 3416-24-8); (M+H)+ 1.0000 NA NA NA NA NA NA NA NA
D-GLUCOSAMINE (CAS# 3416-24-8); (M+NA)+ NA NA NA NA NA NA NA 1.0000 NA
D-GLUCOSE 6-PHOSPHATE (CAS# 56-73-5); (M+NA)+ NA NA NA NA 0.7568 1.2432 NA NA NA
DIETHYLSTILBESTROL (CAS# 56-53-1); (M+H)+ NA 1.0000 NA NA NA NA NA NA NA
DI-TERT-BUTYL DICARBONATE (CAS# 24424-99-5); (M+NA)+ NA 0.8221 NA 0.7066 NA NA 1.1883 1.0281 NA
D-LYXOSE (CAS# 1114-34-7); (M+NA)+ NA NA NA NA 0.7935 1.2345 1.1141 0.9146 NA
D-MANNOSAMINE (CAS# 14307-02-9); (M+H)+ 1.0000 NA NA NA NA NA NA NA NA
D-MANNOSAMINE (CAS# 14307-02-9); (M+K)+ NA NA 1.0000 NA NA NA NA NA NA
D-MANNOSAMINE (CAS# 14307-02-9); (M+NA)+ NA NA NA NA NA NA NA 1.0000 NA
DODECENOYLCARNITINE (*) II (CAS# 000-00-0); M+ NA NA 1.2699 0.9664 NA NA 0.7972 NA NA
D-ORNITHINE (CAS# 348-66-3); (M+H)+ 1.1417 0.8012 1.4221 0.7577 1.0812 0.8660 1.0521 0.8606 NA
D-PSICOSE (CAS# 551-68-8); (2M+NA)+[-H2O] 0.7499 1.0705 1.1799 0.6158 1.0062 1.1066 1.2613 0.9080 NA
DUMP (CAS# 964-26-1); (M+K)+ NA NA NA NA NA 1.0000 NA NA NA
EDTA (CAS# 60-00-4); (M+NA)+ NA 1.3494 NA 0.8010 0.9860 0.9548 1.2396 0.6876 NA
EICOSADIENOYLCARNITINE (*) (CAS# 000-00-0); (M+H)+ NA NA NA 1.0047 NA NA 0.9953 NA NA
EICOSANOYLCARNITINE (*) (CAS# 000-00-0); (M+H)+ NA 0.7921 NA 1.0191 NA NA NA 1.1313 NA
EICOSATRIENOYLCARNITINE (*) (CAS# 000-00-0); M+ 0.8087 1.0543 1.0985 1.8021 0.6782 0.5796 0.7143 0.7681 NA
EICOSENOYLCARNITINE (*) (CAS# 000-00-0); (M+H)+ NA 1.1270 0.7654 1.3921 NA NA 0.5388 NA NA
ELAIDIC ACID (CAS# 112-79-8); (M+H)+ 0.8322 1.2010 1.2551 1.3000 0.8741 0.7421 0.9034 0.8442 NA
ELAIDIC ACID (CAS# 112-79-8); (M+NA)+ 0.4226 0.6774 1.1940 1.0633 1.5927 0.5654 1.5531 0.8747 NA
EPIBRASSINOLIDE [ISTD] (CAS# 78821-43-9); (M+H)+ 1.0320 1.0093 0.9929 1.0351 0.9779 0.9871 0.9965 0.9785 NA
EPIBRASSINOLIDE [ISTD] (CAS# 78821-43-9); (M+NA)+ 0.9918 1.0820 0.9304 0.9978 0.9615 1.0616 0.9405 1.0184 NA
ERYTHRITOL (CAS# 149-32-6); (M+NA)+ 1.2307 1.2383 1.1177 0.9390 NA NA NA 0.4742 NA
ESTRADIOL-17BETA (CAS# 50-28-2); (M+NA)+ NA 0.7300 NA NA NA 0.9272 NA 1.3428 NA
ESTRONE (CAS# 53-16-7); (M+H)+ NA NA 1.0000 NA NA NA NA NA NA
ETHANOLAMINE (CAS# 141-43-5); (2M+NA)+[-H2O] NA NA NA NA NA NA NA 1.0000 NA
ETHANOLAMINE (CAS# 141-43-5); (M+NA)+ 0.9713 NA 1.4078 NA 1.3415 NA 0.8299 0.7372 NA
ETHYLMALONIC ACID (CAS# 601-75-2); (M+NA)+ NA 1.4198 NA NA NA NA 0.5802 NA NA
FERULATE (CAS# 1135-24-6); (M+H)+[-H2O] NA NA NA NA 0.9521 NA 1.0479 NA NA
FLUCYTOSINE (CAS# 2022-85-7); (M+H)+ NA NA NA NA NA NA 1.0000 NA NA
FRUCTOSE (CAS# 57-48-7); (M+NA)+ 0.9269 1.1356 1.3488 0.8700 0.9889 0.7636 0.9930 0.6993 NA
GALACTITOL OR DULCITOL (CAS# 608-66-2); (M+NA)+ 1.0462 0.7826 1.2177 1.0808 NA 0.9211 1.1774 0.7430 NA
GALACTURONIC ACID (CAS# 91510-62-2); (2M+NA)+ NA NA 0.8493 NA NA NA 1.1507 NA NA
GAMMA-BUTYROLACTONE (CAS# 96-48-0); (M+H)+ NA NA 0.4512 NA 0.3941 1.2603 1.3271 1.1535 NA
GAMMA-LINOLENIC ACID (CAS# 506-26-3); (M+NA)+ 0.8748 1.3712 0.6468 0.9689 0.8936 1.3481 0.6795 1.0269 NA
GIBBERELLIC ACID [ISTD] (CAS# 77-06-5); (2M+NA)+ 1.0151 NA 1.2198 1.0458 NA 1.0151 1.0823 0.7547 NA
GIBBERELLIC ACID [ISTD] (CAS# 77-06-5); (M+NA)+ 1.0094 0.9316 1.0879 1.0650 0.9730 0.9712 1.0169 0.9500 NA
GLUCOSAMINATE (CAS# 3646-68-2); (M+NA)+ NA NA NA NA NA NA 1.0000 NA NA
GLUCOSAMINE 6-PHOSPHATE (CAS# 3616-42-0); (M+H)+[-H2O] NA NA NA NA NA NA NA 1.0000 NA
GLUCOSE (CAS# 50-99-7); (2M+NA)+ 1.0198 0.9040 1.3842 0.8225 1.8301 0.7077 0.5633 NA NA
GLUCOSE (CAS# 50-99-7); (2M+NA)+[-H2O] 0.7560 1.0719 1.1560 0.6206 1.0133 1.1151 1.2678 0.9038 NA
GLUCOSE (CAS# 50-99-7); (M+NA)+ 0.9269 1.1355 1.3490 0.8700 0.9889 0.7636 0.9930 0.6993 NA
GLUTAMATE (CAS# 56-86-0); (M+H)+ 1.6950 1.3526 1.6140 1.5825 0.7123 0.1533 0.9553 0.7159 NA
GLUTAMATE (CAS# 56-86-0); (M+H)+[-H2O] 1.0646 1.6160 2.0076 1.2339 0.8041 0.3945 0.4922 0.3979 NA
GLUTAMINE (CAS# 56-85-9); (M+NA)+ NA NA 1.0000 NA NA NA NA NA NA
GLUTARATE (CAS# 110-94-1); (M+NA)+ 0.8731 NA NA NA NA 1.3869 NA 0.7401 NA
GLUTARYLCARNITINE (*) (CAS# 102636-82-8); (M+H)+ 0.9252 0.8354 1.2759 0.7448 1.0028 0.8401 1.1680 1.1412 NA
GLUTATHIONE (CAS# 27025-41-8); (M+H2)+2 NA NA NA 1.0000 NA NA NA NA NA
GLYCERALDEHYDE (CAS# 367-47-5); (2M+H)+[-H2O] 1.1147 0.4666 0.8115 NA 1.9524 1.2835 1.0743 0.9814 NA
GLYCOCHENODEOXYCHOLATE (CAS# 640-79-9); (M+H)+ 0.7240 2.0059 0.7552 NA 0.5149 NA NA NA NA
GLYCOCHENODEOXYCHOLATE (CAS# 640-79-9); (M+H)+[-H2O] NA NA 0.6526 1.7318 NA NA NA 0.6156 NA
GLYCOCHENODEOXYCHOLATE (CAS# 640-79-9); (M+NA)+ 1.4648 1.8946 1.8803 0.7726 0.7315 0.2542 NA 0.4871 NA
GLYCOCHOLATE (CAS# 475-31-0); (2M+NA)+ NA NA 1.0000 NA NA NA NA NA NA
GLYCOCHOLATE (CAS# 475-31-0); (M+H)+ 0.6342 0.5786 2.2798 1.0175 0.5405 0.4207 NA 1.0663 NA
GLYCOCHOLATE (CAS# 475-31-0); (M+H)+[-H2O] 0.6412 0.4623 2.1791 0.9458 0.3879 0.6293 NA 1.0807 NA
GLYCOCHOLATE (CAS# 475-31-0); (M+NA)+ 0.7587 0.9021 1.8807 1.0492 0.8357 0.6453 0.3141 0.9860 NA
GLYCOLITHOCHOLATE (CAS# 474-74-8 ); (M+NA)+ NA 0.4211 1.0107 0.7509 1.3861 NA 1.6695 NA NA
GLYCOLITHOCHOLATE (CAS# 474-74-8 ); (M+NA)+[-H2O] NA 0.2999 NA NA NA NA 1.3500 NA NA
GUANINE (CAS# 73-40-5); (M+H)+ 0.2896 NA 1.7328 0.6361 0.8090 1.2482 0.0977 1.2145 NA
HEXANOYLCARNITINE (*) (CAS# 66279-77-4); M+ 0.9388 0.9332 1.4605 1.2151 0.8010 0.5152 1.1782 0.9071 NA
HIPPURATE (CAS# 495-69-2); (M+H)+ 0.8922 0.6073 0.9286 0.4848 0.9936 1.2375 1.4861 1.2459 NA
HIPPURATE (CAS# 495-69-2); (M+NA)+ 0.8650 0.6309 0.9004 0.4777 0.9689 1.2820 1.4466 1.2862 NA
HISTAMINE (CAS# 51-45-6); (M+H)+ 2.3608 0.9137 0.8234 0.6414 0.8046 1.2815 0.9627 0.9465 NA
HISTAMINE (CAS# 51-45-6); (M+NA)+ NA NA NA NA NA NA NA 1.0000 NA
HOMOCYSTEINE (CAS# 454-29-5); (M+H)+ NA NA NA NA NA 1.0986 0.9515 0.9308 NA
HOMOCYSTINE (CAS# 462-10-2); (M+H)+ NA 1.1392 0.7216 NA NA NA NA NA NA
HOMOGENTISATE (CAS# 451-13-8); (M+H)+ NA NA 1.2529 0.0677 1.0760 NA 0.9288 1.0845 NA
HOMOSERINE (CAS# 672-15-1); (M+NA)+ 1.0135 0.8697 1.3509 1.1356 0.7703 NA 0.7220 0.6552 NA
HOMOVANILLATE (CAS# 306-08-1); (M+H)+ NA 0.8214 1.0920 NA 0.9263 0.7603 NA 1.0966 NA
IBUPROFEN CARBOXYLIC ACID (CAS# 15935-54-3); (M+H)+[-H2O] 0.4907 1.1605 0.6068 1.6976 1.2147 0.4364 NA 1.7865 NA
IBUPROFEN CARBOXYLIC ACID (CAS# 15935-54-3); (M+NA)+ 0.5783 1.4450 1.3646 1.0251 1.0683 0.4362 1.2542 0.6069 NA
IMIDAZOLE-4-ACETATE (CAS# 645-65-8); (M+H)+ NA 1.6902 0.5876 NA NA 0.7222 NA NA NA
INDOLE-3-ACETALDEHYDE (CAS# 2591-98-2); (M+H)+ 0.8053 0.6343 1.0228 1.4015 1.1168 1.0444 1.2702 0.7822 NA
INDOLE-3-ACETAMIDE (CAS# 879-37-8); (M+H)+ 1.0000 NA NA NA NA NA NA NA NA
INDOLE-3-ACETAMIDE (CAS# 879-37-8); (M+NA)+ NA NA NA NA NA NA NA 1.0000 NA
INDOLE-3-ACETATE (CAS# 87-51-4); (M+H)+ 1.9150 0.9733 0.9020 0.6564 1.1060 0.8515 1.1893 0.6895 NA
INDOLE-3-ACETATE (CAS# 87-51-4); (M+NA)+ 1.8832 1.0381 0.7660 0.6062 1.2272 0.9562 1.0701 0.5760 NA
INDOLE-3-ETHANOL (CAS# 526-55-6); (M+H)+ NA NA NA NA 1.0000 NA NA NA NA
ISO-BUTYRYLCARNITINE (*) (CAS# 25576-40-3); (M+H)+ 1.2114 0.5410 0.6814 0.3548 1.2061 1.3199 1.5101 1.2069 NA
ISOLEUCINE (CAS# 73-32-5); (M+H)+ 0.9479 0.7919 1.2083 0.9173 1.0131 0.8767 1.1691 1.0489 NA
ISOLEUCINE (CAS# 73-32-5); (M+NA)+ 0.7814 0.7749 1.1748 1.0271 NA 0.4022 1.0898 NA NA
ISOVALERYLCARNITINE (*) (CAS# 31023-24-2); (M+H)+ 0.9339 0.6248 0.7965 0.8259 1.0431 0.9986 1.5302 1.2102 NA
JASMONIC ACID [ISTD] (CAS# 77026-92-7); (M+NA)+ NA NA NA NA NA NA NA 1.0000 NA
KYNURENIC ACID (CAS# 492-27-3); (M+H)+ 1.0435 0.9159 1.0421 0.8654 0.7473 1.0042 1.3467 0.9411 NA
KYNURENIC ACID (CAS# 492-27-3); (M+NA)+ 1.0310 NA NA 0.8348 NA NA 1.1420 0.9961 NA
KYNURENINE (CAS# 343-65-7); (M+H)+ 0.8841 1.0973 1.0802 1.0683 0.7545 0.9586 1.2729 0.7750 NA
KYNURENINE (CAS# 343-65-7); (M+NA)+ NA NA 0.5995 1.1351 NA 0.9393 1.0561 1.0273 NA
LACTOSE (CAS# 63-42-3); (M+NA)+ 0.7514 1.0633 1.1822 0.6171 1.0236 1.1144 1.2099 0.8992 NA
L-ALLOTHREONINE (CAS# 28954-12-3); (M+H)+[-H2O] 0.3395 0.8240 1.3381 2.2035 1.9155 0.2097 0.7422 0.1883 NA
LANOSTEROL (CAS# 79-63-0); (M+NA)+ 0.6360 NA 0.9594 0.6468 0.9586 1.5402 1.1993 0.8021 NA
LANTHIONINE (CAS# 3183-08-2); (M+H)+ NA 1.2486 0.7514 NA NA NA NA NA NA
L-ARGININE (CAS# 74-79-3); (M+H)+ 0.6134 0.3992 0.8575 1.0257 0.5620 0.6575 0.3693 3.2212 NA
L-ARGININE (CAS# 74-79-3); (M+NA)+ 0.8334 0.5721 0.9472 1.2702 0.8251 0.9222 0.7413 1.7766 NA
L-ARGININE-(GUANIDINEIMINO-15N2) [ISTD] (CAS# ); (M+H)+ NA NA NA NA 1.0000 NA NA NA NA
LAUROYLCARNITINE (CAS# 25518-54-1); (M+H)+ 1.0104 0.8525 1.2623 1.5442 0.8236 0.5013 0.9943 0.9104 NA
LEUCINE (CAS# 328-39-2); (M+H)+ 0.9475 0.7922 1.2082 0.9176 1.0135 0.8765 1.1690 1.0487 NA
LEUCINE (CAS# 328-39-2); (M+NA)+ 0.7814 0.7749 1.1748 1.0271 NA 0.4022 1.0898 NA NA
LEUKOTRIENE B4 (CAS# 71160-24-2); (M+H)+ 0.7912 NA 1.4459 NA NA NA 1.0830 0.6799 NA
LEUKOTRIENE B4 (CAS# 71160-24-2); (M+H)+[-H2O] 0.2757 0.3816 0.4686 0.7444 NA 9.7852 0.2551 0.3324 NA
LEUKOTRIENE B4 (CAS# 71160-24-2); (M+NA)+ 0.5246 0.5238 1.5335 1.8402 0.6477 0.4685 1.3753 0.9504 NA
L-HISTIDINE (CAS# 71-00-1); (M+H)+ 1.1315 0.8336 1.0088 1.3428 0.9432 0.8871 0.7134 1.1753 NA
L-HISTIDINE (CAS# 71-00-1); (M+NA)+ 1.0285 0.9251 2.7559 0.6309 0.8676 0.9851 0.6595 1.1055 NA
LINOLEOYLCARNITINE (*) (CAS# 000-00-0); (M+H)+ 0.9296 1.0262 1.3812 1.4353 0.8227 0.5288 0.9422 0.8455 NA
LIPOAMIDE (CAS# 940-69-2); (M+NA)+ NA NA NA NA NA 1.0000 NA NA NA
LITHOCHOLIC ACID (CAS# 434-13-9); (M+NA)+ 0.7074 NA 0.8504 NA NA 0.9712 0.4312 1.3475 NA
L-ORNITHINE (CAS# 70-26-8); (M+H)+ 1.1397 0.8196 1.4061 0.7385 1.0793 0.8807 1.0389 0.8726 NA
L-TRYPTOPHAN-15N2 [ISTD] (CAS# ); (M+H)+ 1.0266 0.9633 NA NA 0.9835 NA NA NA NA
LYSINE (CAS# 56-87-1); (M+H)+ 1.1251 0.8658 1.4255 0.8460 0.9069 0.7176 0.9307 1.1701 NA
LYSINE (CAS# 56-87-1); (M+NA)+ 0.9813 0.6850 1.3616 0.7130 0.6647 0.5705 0.8110 1.9449 NA
MALATE (CAS# 636-61-3); (M+NA)+ NA NA NA 1.0000 NA NA NA NA NA
MALTOSE (CAS# 69-79-4); (M+NA)+ 0.7450 1.0636 1.1707 0.6118 0.9997 1.1104 1.2469 0.9022 NA
MANNITOL (CAS# 69-65-8); (M+NA)+ 1.0350 0.8322 1.2046 1.0692 NA 0.9440 1.1647 0.7350 NA
MANNOSE-6-PHOSPHATE (CAS# 3672-15-9); (M+NA)+ NA NA NA NA 0.6133 1.3867 NA NA NA
MELATONIN (CAS# 73-31-4); (M+NA)+ 1.1088 1.8392 0.5281 NA NA 1.0004 0.5232 NA NA
MELIBIOSE (CAS# 585-99-9); (M+NA)+ 0.7478 1.0595 1.1750 0.6141 1.0034 1.1074 1.2515 0.8941 NA
METHIONINE (CAS# 63-68-3); (M+H)+ 0.5129 0.5419 1.1978 0.5486 0.7329 1.4106 0.5841 2.0649 NA
METHYL ACETOACETATE (CAS# 105-45-3); (2M+H)+ NA NA NA 1.0000 NA NA NA NA NA
METHYL BETA-D-GALACTOSIDE (CAS# 1824-94-8); (M+NA)+ 0.7541 0.7968 0.4964 0.7293 0.8449 1.3815 1.3732 1.1462 NA
METHYL INDOLE-3-ACETATE (CAS# 1912-33-0); (M+NA)+ 1.5296 NA NA 0.5809 NA 0.8895 NA NA NA
METHYL JASMONATE (CAS# 1211-29-6); (M+NA)+ 1.0451 1.0877 0.9934 1.0224 0.9709 0.9521 1.0216 0.9159 NA
MEVALONIC ACID (CAS# 674-26-0); (M+NA)+ 1.1911 0.6118 NA NA 1.2561 1.1598 NA 0.7535 NA
M-HYDROXYMANDELIC ACID (CAS# 17119-15-2); (M+NA)+[-H2O] NA NA NA 0.6086 NA 1.3089 1.0825 NA NA
MONO-METHYL GLUTARATE (CAS# 1501-27-5); (M+NA)+ 0.7994 1.1073 1.1541 1.0651 1.1328 0.7795 0.7995 1.2358 NA
MYO-INOSITOL (CAS# 87-89-8); (M+NA)+ 0.9541 1.1689 1.3844 0.8955 1.0179 0.7860 1.0221 0.2313 NA
MYRISTOYLCARNITINE (*) (CAS# 000-00-0); (M+H)+ NA 0.9982 1.3506 1.7572 NA 0.6416 0.8677 0.7542 NA
N-ACETYL-D-GLUCOSAMINE (CAS# 7512-17-6); (M+H)+[-H2O] NA NA 1.0000 NA NA NA NA NA NA
N-ACETYL-D-GLUCOSAMINE (CAS# 7512-17-6); (M+NA)+ 0.8861 NA 0.9278 NA 1.0223 NA 1.0546 NA NA
N-ACETYL-DL-GLUTAMIC ACID (CAS# 5817-08-3); (M+H)+ NA NA NA 1.0000 NA NA NA NA NA
N-ACETYL-DL-GLUTAMIC ACID (CAS# 5817-08-3); (M+NA)+ 0.5021 NA 0.4906 0.7909 0.7038 NA 1.3552 1.5787 NA
N-ACETYL-DL-METHIONINE (CAS# 1115-47-5); (M+H)+ NA NA 1.0538 NA NA NA 0.7698 1.1226 NA
N-ACETYL-DL-METHIONINE (CAS# 1115-47-5); (M+H)+[-H2O] NA NA NA NA NA 1.1961 NA 0.8039 NA
N-ACETYL-DL-METHIONINE (CAS# 1115-47-5); (M+NA)+ NA 0.7654 1.0671 NA 0.6981 0.9360 NA 1.2049 NA
N-ACETYL-DL-SERINE (CAS# 97-14-3); (M+H)+ 1.4267 1.1385 1.1367 1.3320 0.8270 0.6027 1.0159 0.8930 NA
N-ACETYL-DL-SERINE (CAS# 97-14-3); (M+H)+[-H2O] 0.8644 1.4064 1.1965 0.7674 1.2125 0.6202 0.8576 1.0619 NA
N-ACETYL-DL-SERINE (CAS# 97-14-3); (M+NA)+ 0.2098 2.4990 2.1606 1.8327 0.1341 0.1914 0.2063 0.2092 NA
N-ACETYL-D-MANNOSAMINE (CAS# 3615-17-6); (M+NA)+ 0.6591 NA 1.0548 NA 1.1622 NA 1.1549 NA NA
N-ACETYL-D-TRYPTOPHAN (CAS# 2280-01-5); (M+H)+ 0.5612 0.7316 1.0646 0.7390 0.8134 0.9211 1.8478 1.0694 NA
N-ACETYL-D-TRYPTOPHAN (CAS# 2280-01-5); (M+NA)+ 0.7667 0.6845 1.1095 0.6886 0.7630 0.8523 1.8009 1.0274 NA
N-ACETYLGALACTOSAMINE (CAS# 1811-31-0); (M+H)+[-H2O] NA NA 1.0000 NA NA NA NA NA NA
N-ACETYLGALACTOSAMINE (CAS# 1811-31-0); (M+NA)+ 0.7419 0.7651 0.9610 1.1527 NA NA 1.2255 NA NA
N-ACETYLGLYCINE (CAS# 543-24-8); (M+NA)+ NA NA NA NA NA 1.0286 NA 0.9427 NA
N-ACETYL-L-ALANINE (CAS# 97-69-8); (M+H)+[-H2O] 1.0323 NA 0.6473 1.4472 NA 1.3384 NA 0.5438 NA
N-ACETYL-L-ALANINE (CAS# 97-69-8); (M+NA)+ 1.0107 1.0369 0.6603 1.0148 1.2537 1.3570 1.1231 0.7203 NA
N-ACETYL-L-ASPARTIC ACID (CAS# 997-55-7); (M+H)+[-H2O] NA NA 1.0000 NA NA NA NA NA NA
N-ACETYL-L-ASPARTIC ACID (CAS# 997-55-7); (M+NA)+ 0.8000 0.8857 1.0273 1.0128 0.8537 0.9558 1.2792 0.9747 NA
N-ACETYL-L-LEUCINE (CAS# 1188-21-2); (M+H)+ 0.9936 0.7309 1.0044 0.7213 1.0960 0.8856 1.6382 0.8960 NA
N-ACETYL-L-LEUCINE (CAS# 1188-21-2); (M+NA)+ 1.3812 0.7632 1.0610 0.8236 0.8667 0.6961 1.4730 0.8023 NA
N-ACETYL-L-PHENYLALANINE (CAS# 2018-61-3); (M+H)+ 0.8170 0.7429 1.2244 0.7959 0.9945 0.9799 1.1701 1.1784 NA
N-ACETYL-L-PHENYLALANINE (CAS# 2018-61-3); (M+NA)+ 0.8215 0.7759 1.2061 0.8038 0.9530 0.9919 1.1509 1.1889 NA
N-ACETYLNEURAMINATE (CAS# 131-48-6); (M+H)+ 0.8737 0.9048 1.4222 1.3080 0.8222 0.6909 1.0482 0.7314 NA
N-ACETYLNEURAMINATE (CAS# 131-48-6); (M+NA)+ 0.9094 1.0092 1.2457 1.1386 0.7305 0.9243 1.1058 0.7961 NA
N-ACETYLSEROTONIN (CAS# 1210-83-9); (2M+H)+ NA NA 1.0000 NA NA NA NA NA NA
N-ACETYLSEROTONIN (CAS# 1210-83-9); (M+H)+ 1.0920 NA 1.4041 NA NA 0.5859 1.2949 0.7423 NA
N-ACETYLSEROTONIN (CAS# 1210-83-9); (M+NA)+ 1.1535 NA 0.9628 0.9209 NA NA NA NA NA
N-ALPHA-ACETYL-L-LYSINE (CAS# 1946-82-3); (M+H)+ 1.0297 0.7295 0.9079 0.6782 1.0766 0.6480 1.1282 2.0403 NA
NAPROXEN (CAS# 22204-53-1); (M+H)+ NA NA NA NA 1.2004 NA 0.8998 NA NA
N-CYCLOHEXYLFORMAMIDE (CAS# 766-93-8); (M+H)+ 0.8528 1.3552 0.8154 0.7644 0.9452 NA 0.7404 1.1410 NA
N-CYCLOHEXYLFORMAMIDE (CAS# 766-93-8); (M+NA)+ 0.7505 1.3257 0.6494 0.8652 1.0806 NA 0.7625 0.9637 NA
NICOTINAMIDE (CAS# 98-92-0); (M+H)+ 0.9855 0.9677 1.1024 1.0406 1.0429 1.0653 0.9801 0.8995 NA
NICOTINAMIDE MONONUCLEOTIDE (CAS# 1094-61-7); (M+H)+ NA NA NA 1.0000 NA NA NA NA NA
NICOTINATE (CAS# 59-67-6); (M+H)+ 0.3394 0.8793 0.1427 1.3443 0.5022 1.4163 0.2985 1.7600 NA
N-METHYL-D-ASPARTIC ACID (CAS# 6384-92-5); (M+H)+ 1.6950 1.3526 1.6140 1.5825 0.7123 0.1533 0.9553 0.7159 NA
N-METHYL-D-ASPARTIC ACID (CAS# 6384-92-5); (M+NA)+ 0.2269 3.0055 2.3367 0.3604 0.1450 0.1775 0.2231 0.2262 NA
N-METHYL-L-GLUTAMATE (CAS# 6753-62-4); (M+H)+[-H2O] 0.6524 0.8283 1.0732 0.7962 1.0139 1.0376 1.3383 1.0819 NA
N-METHYL-L-GLUTAMATE (CAS# 6753-62-4); (M+NA)+ 1.2147 0.9710 NA NA 0.7998 NA NA NA NA
N-METHYL-L-GLUTAMATE (CAS# 6753-62-4); (M+NA)+[-H2O] NA NA 0.9740 NA NA 0.6743 1.0879 NA NA
N^-NITROSONORNICOTINE (CAS# 80508-23-2); (M+H)+ 1.2798 NA 0.7462 NA NA 0.9740 NA NA NA
NONANOATE (CAS# 112-05-0); (M+NA)+ NA NA 1.0000 NA NA NA NA NA NA
NORADRENALINE (CAS# 51-41-2); (M+H)+ 1.6287 NA 0.6836 NA 1.2989 0.6595 1.0490 1.0382 NA
NORADRENALINE (CAS# 51-41-2); (M+H)+[-H2O] NA NA NA NA NA NA 1.0000 NA NA
NORLEUCINE (CAS# 327-57-1); (M+H)+ 0.9481 0.7921 1.2085 0.9174 1.0133 0.8768 1.1687 1.0485 NA
NORMETANEPHRINE (CAS# 97-31-4); (M+H)+ 0.7652 0.4595 1.1484 0.8990 0.7476 1.0057 1.1547 0.8094 NA
NORMETANEPHRINE (CAS# 97-31-4); (M+H)+[-H2O] 1.0745 1.0764 0.9967 0.9001 1.1442 1.0474 0.9340 0.8595 NA
NORVALINE (CAS# 6600-40-4); M+[-CO2H] 0.9039 0.7638 1.2245 0.8193 1.0765 0.9277 1.1211 1.1265 NA
NORVALINE (CAS# 6600-40-4); (M+H)+ 1.1088 0.7095 1.0835 0.8522 1.1582 0.8588 1.1401 1.1714 NA
N(PAI)-METHYL-L-HISTIDINE (CAS# 332-80-9); (M+H)+ 1.0390 1.0135 1.1543 0.7458 1.2240 0.8994 0.7775 1.0901 NA
N(PAI)-METHYL-L-HISTIDINE (CAS# 332-80-9); (M+NA)+ NA 0.8247 NA NA 0.4821 1.2464 1.0659 1.1345 NA
OCTANOYLCARNITINE (*) (CAS# 38263-56-8); (M+H)+ 0.7449 0.8999 1.6590 1.4833 0.5566 0.3642 1.0494 0.9419 NA
OCTENOYLCARNITINE (*) (CAS# 000-00-0); M+ 1.1262 NA 0.8738 NA NA NA NA NA NA
OLEAMIDE (CAS# 301-02-0); (M+H)+ 0.2340 NA 0.1342 2.0722 NA 4.0407 0.8574 0.2137 NA
OLEAMIDE (CAS# 301-02-0); (M+NA)+ NA NA NA 0.5399 NA 1.4601 NA NA NA
OLEIC ACID (CAS# 112-80-1); (M+NA)+ 0.8066 0.9945 1.0811 1.5812 0.7642 0.7413 1.0693 0.9157 NA
OLEOYLCARNITINE (*) (CAS# 13962-05-5); (M+H)+ 0.8627 1.1376 1.3497 1.7985 0.7188 0.4482 0.8717 0.8063 NA
OMEGA-HYDROXYDODECANOIC ACID (CAS# 505-95-3); (M+H)+[-H2O] NA NA NA NA NA NA NA 1.0000 NA
OPHTHALMIC ACID (CAS# 495-27-2); (M+H)+ NA 1.1907 1.0373 NA NA NA NA 0.5439 NA
O-SUCCINYL-L-HOMOSERINE (CAS# 1492-23-5); (M+H)+ 1.0778 0.8325 NA NA NA 1.0119 NA NA NA
OXIDIZED GLUTATHIONE (CAS# 27025-41-8); (M+2H)+2 NA NA NA 1.0000 NA NA NA NA NA
P-ACETAMIDOPHENYL BETA-D-GLUCURONIDE (CAS# 120595-80-4); (M+H)+ NA NA NA NA NA NA NA 1.0000 NA
PALATINOSE (CAS# 343336-76-5); (M+NA)+ 0.7466 1.0658 1.1731 0.6128 1.0018 1.1127 1.2463 0.8925 NA
PALMITOLEYLCARNITINE (*) (CAS# 000-00-0); M+ NA NA 1.3459 NA NA NA 0.8271 NA NA
PALMITOYLCARNITINE (CAS# 2364-67-2); (M+H)+ 0.9040 1.0923 1.2042 1.8211 0.7540 0.5210 0.8646 0.7591 NA
PANTOTHENATE (CAS# 79-83-4); (M+H)+ 1.2450 1.0121 1.0834 0.7189 1.0511 1.0966 1.0297 0.8150 NA
PANTOTHENATE (CAS# 79-83-4); (M+NA)+ 1.2002 0.9918 0.9531 0.7259 1.0273 1.1215 1.0378 0.9482 NA
PARAXANTHINE (CAS# 611-59-6); (M+NA)+ 0.9721 0.7594 0.8082 0.6622 1.4104 1.2986 0.8686 1.2456 NA
PENICILLAMINE (CAS# 52-67-5); (2M+H)+[-H2] NA 0.1442 0.7666 NA NA NA NA 1.5446 NA
PHENYL ACETATE (CAS# 122-79-2); (M+H)+ NA NA NA NA NA 1.0000 NA NA NA
PHENYLALANINE (CAS# 63-91-2); (M+H)+ 0.4054 1.0056 0.4234 1.0962 2.3909 1.4200 0.9255 0.5373 NA
PHENYLALANINE (CAS# 63-91-2); (M+NA)+ 0.2980 0.3679 0.4530 0.3837 0.5479 0.3786 NA 6.7288 NA
PHENYLEPHRINE (CAS# 59-42-7); (M+H)+ NA NA NA NA NA NA NA 1.0000 NA
PHENYLHYDRAZINE (CAS# 100-63-0); (M+H)+ 0.2900 1.7039 NA NA NA 1.0659 0.8805 NA NA
PHTHALATE (CAS# 88-99-3); (M+NA)+ NA 1.0000 NA NA NA NA NA NA NA
PICOLINIC ACID (CAS# 98-98-6); (M+H)+ 0.2044 0.8931 0.1450 1.3658 0.5162 1.4469 0.3035 1.7793 NA
PINITOL (CAS# 10284-63-6); (M+NA)+ 0.8387 0.7809 0.5040 0.6808 0.9442 1.3980 1.2767 1.2682 NA
PIPECOLATE (CAS# 535-75-1); (M+H)+ 0.6428 1.6061 2.1400 0.7506 0.1826 0.6134 1.3941 0.2372 NA
PIPECOLATE (CAS# 535-75-1); (M+NA)+ 0.9170 1.0763 0.7724 0.9641 1.0058 0.9844 1.2611 0.9847 NA
PROCOLLAGEN 5-HYDROXY-L-LYSINE (CAS# 1190-94-9); (M+H)+ 0.0893 NA NA NA NA 0.1064 1.9021 NA NA
PROGESTERONE (CAS# 57-83-0); (M+H)+ NA 0.9400 0.8836 1.0954 NA 0.9415 0.9717 NA NA
PROLINE (CAS# 147-85-3); (M+H)+ 0.9621 0.7103 1.1883 0.8196 0.9650 0.9610 1.1640 1.1753 NA
PROLINE (CAS# 147-85-3); (M+NA)+ NA NA 0.0668 1.2142 0.0444 1.4951 0.0444 2.4695 NA
PROPIONYLCARNITINE (*) (CAS# 17298-37-2); (M+H)+ 1.0267 0.4015 1.0614 0.7122 1.1823 0.5750 1.6556 1.4036 NA
PROSTAGLANDIN E2 (CAS# 363-24-6); (M+H)+ NA 1.2470 0.7633 1.1306 0.8162 1.1897 0.7220 0.8569 NA
PROSTAGLANDIN E2 (CAS# 363-24-6); (M+H)+[-H2O] 0.2195 0.2285 0.8728 2.1547 1.9128 0.5238 1.0462 0.9437 NA
PROSTAGLANDIN E2 (CAS# 363-24-6); (M+NA)+ 0.5985 0.7271 1.2591 0.8939 1.6293 0.7671 1.3881 0.7595 NA
PROTOPORPHYRIN (CAS# 553-12-8); (M+H)+ NA NA NA NA NA 1.0000 NA NA NA
PTERIN (CAS# 2236-60-4); (M+H)+ 0.6661 1.6348 NA 1.0449 1.4126 0.9878 0.4334 1.1102 NA
PURINE (CAS# 120-73-0); (M+H)+ 0.1809 1.3159 NA NA 1.5032 NA NA NA NA
PURINE (CAS# 120-73-0); (M+NA)+ 0.9639 0.8810 NA NA NA 1.2927 NA 0.6385 NA
PYRIDOXAL (CAS# 66-72-8); (M+H)+ NA NA NA NA 0.3804 1.6196 NA NA NA
PYRIDOXINE (CAS# 65-23-6); (M+H)+ NA NA 1.1720 NA NA 0.8280 NA NA NA
QUINOLIN-2-OL (CAS# 59-31-4); (M+H)+ 0.9804 1.1643 0.9427 1.0523 0.8730 1.1714 0.8406 0.9352 NA
QUINOLIN-2-OL (CAS# 59-31-4); (M+NA)+ 1.0658 1.1985 0.9401 0.9933 0.8800 1.2925 0.8289 0.7815 NA
QUINOLINE (CAS# 91-22-5); (M+H)+ NA NA NA NA NA NA NA 1.0000 NA
RAC-GLYCEROL 1-MYRISTATE (CAS# 75685-84-6); (M+NA)+ NA 1.6284 NA NA 0.3343 NA NA 1.0373 NA
RAFFINOSE (CAS# 512-69-6); (M+NA)+ 0.5384 1.4549 NA NA 1.1444 1.1603 0.8815 0.8035 NA
RIBOFLAVIN (CAS# 83-88-5); (M+H)+ 0.8974 0.6996 1.2220 1.1709 0.6210 1.0330 1.0825 1.0402 NA
RIBOFLAVIN (CAS# 83-88-5); (M+NA)+ 1.1164 0.6649 1.2536 1.0138 0.8681 0.9271 1.1797 1.0849 NA
RIBOSE (CAS# 50-69-1); (M+NA)+ NA NA NA NA 0.7935 1.2345 1.1141 0.9146 NA
S-ADENOSYL-L-HOMOCYSTEINE (CAS# 979-92-0); (M+H)+ 0.7581 0.6289 1.0298 0.8772 0.9846 1.0846 1.0932 1.1695 NA
SARCOSINE (CAS# 107-97-1); (M+H)+ 0.7949 1.0297 1.2299 0.9715 1.0014 0.8498 1.0439 1.0063 NA
SEBACIC ACID (CAS# 111-20-6); (M+NA)+ 1.4937 1.2828 1.2285 0.4389 NA NA 1.1502 0.4058 NA
SELENOMETHIONINE (CAS# 1464-42-2); (M+H)+ 1.3328 0.9274 NA 1.2563 NA 0.8358 0.8239 NA NA
SELENOMETHIONINE (CAS# 1464-42-2); (M+NA)+ NA NA NA NA 1.0000 NA NA NA NA
SERINE (CAS# 56-45-1); (M+H)+ 0.7627 0.7450 1.8763 0.6920 0.9055 1.2078 0.4699 1.6966 NA
SEROTONIN (CAS# 50-67-9); (M+H)+ 0.9383 0.7167 0.9017 0.9648 1.0778 1.1288 1.3879 0.8729 NA
SHIKIMATE (CAS# 138-59-0); (M+H)+[-H2O] NA NA 0.4449 NA NA 1.5000 1.0551 NA NA
SN-GLYCERO-3-PHOSPHOCHOLINE (CAS# 28319-77-9); (M+H)+ 0.7348 1.5866 0.8907 1.1343 0.7008 1.2063 0.8344 0.7464 NA
SPERMIDINE (CAS# 124-20-9); (M+H)+ 1.4116 0.8967 0.9815 0.8219 1.5594 0.9226 1.0290 0.6713 NA
SPHINGANINE (CAS# 764-22-7); (M+H)+ 0.8544 0.8595 1.2839 1.2919 0.6253 0.7276 0.8853 1.1469 NA
SPHINGANINE (CAS# 764-22-7); (M+NA)+ 0.8110 0.9485 1.2546 1.2270 0.7006 0.8721 0.5863 1.0930 NA
STACHYOSE (CAS# 54261-98-2); (M+NA)+ 0.8484 1.0783 0.8558 0.7957 0.9623 1.0790 1.0375 1.2205 NA
STEAROYLCARNITINE (*) (CAS# 1976-27-8); (M+H)+ 0.9597 1.0316 1.1493 1.4247 0.9311 0.6571 0.9496 0.9313 NA
SUBERIC ACID (CAS# 505-48-6); (M+H)+[-H2O] NA NA NA NA 0.7271 NA NA 1.2729 NA
SUBERIC ACID (CAS# 505-48-6); (M+NA)+ 0.4757 1.5112 1.1292 0.9980 1.0822 0.5298 0.7810 1.1542 NA
SUCROSE (CAS# 57-50-1); (M+NA)+ 0.7466 1.0658 1.1731 0.6128 1.0018 1.1127 1.2463 0.8925 NA
TAURINE (CAS# 107-35-7); (M+NA)+ 0.8075 1.0544 1.6199 2.1731 0.4900 0.4025 1.4239 0.2278 NA
TAUROCHENODEOXYCHOLATE (CAS# 516-35-8); (M+H)+[-H2O] NA 2.4017 NA 0.5186 0.5740 0.5057 NA NA NA
TAUROCHENODEOXYCHOLATE (CAS# 516-35-8); (M+NA)+ 1.2935 1.0213 1.3634 NA 0.2961 NA 1.0258 NA NA
TAUROCHOLATE (CAS# 81-24-3); (M+H)+[-H2O] 0.8688 0.2059 2.2118 NA NA NA 0.7135 NA NA
TAUROCHOLATE (CAS# 81-24-3); (M+NA)+ 1.6581 1.0791 2.1506 0.5480 0.4877 0.3448 1.1255 0.2722 NA
TAUROLITHOCHOLATE (CAS# 516-90-5); (2M+H)+ NA NA NA NA 0.7287 1.7858 0.7568 NA NA
TAUROLITHOCHOLATE (CAS# 516-90-5); (2M+NA)+ 0.9249 0.8886 0.4913 0.4871 1.2699 2.2282 0.9640 0.7422 NA
TAUROLITHOCHOLATE (CAS# 516-90-5); (M+H)+ NA 0.9775 NA NA NA NA 1.0225 NA NA
TAUROLITHOCHOLATE (CAS# 516-90-5); (M+H)+[-H2O] NA 1.0000 NA NA NA NA NA NA NA
TAUROLITHOCHOLATE (CAS# 516-90-5); (M+NA)+ 1.2098 NA NA NA 0.7902 NA NA NA NA
TETRADECADIENOYLCARNITINE (*) (CAS# 000-00-0); M+ 0.7058 NA 1.1680 1.1536 NA NA 0.8412 1.1038 NA
TETRADECENOYLCARNITINE (*) (CAS# 000-00-0); M+ 0.8254 1.0816 1.3106 1.3854 0.6834 0.3858 0.7918 0.7725 NA
THEOBROMINE (CAS# 83-67-0); (M+NA)+ 0.4204 1.1481 1.0548 NA 0.7947 1.5486 0.6361 0.8735 NA
THEOPHYLLINE (CAS# 58-55-9); (M+NA)+ 1.0760 0.5809 0.7348 0.7087 1.4072 1.5321 1.0074 1.4801 NA
THREONINE (CAS# 72-19-5); (M+H)+[-H2O] 0.8212 0.5594 0.9949 1.0525 1.1721 1.1533 0.6579 1.5218 NA
THROMBOXANE B2 (CAS# 54397-85-2); (M+H)+[-H2O] NA 1.2734 0.5440 1.1546 0.8334 1.2149 0.7373 0.9851 NA
THROMBOXANE B2 (CAS# 54397-85-2); (M+NA)+ 0.8216 1.1978 1.1685 1.0957 1.1235 0.6365 1.0472 0.9068 NA
THYMIDINE 5^-MONOPHOSPHATE (CAS# 365-07-1); (M+H)+ NA NA NA 0.8470 NA 1.2103 0.9713 NA NA
THYMIDINE (CAS# 50-89-5); (M+H)+ NA NA 1.0537 NA NA NA NA 0.9463 NA
THYMIDINE (CAS# 50-89-5); (M+NA)+ 1.1334 0.9901 0.9987 1.1500 1.0730 0.9693 0.9391 0.8403 NA
THYROXINE (CAS# 51-48-9); (M+H)+ 1.0138 0.8646 1.2829 0.9807 0.9010 0.9132 1.1078 0.8135 NA
TRANS-4-HYDROXYPROLINE (CAS# 51-35-4); (M+H)+ 1.0382 0.6272 0.7673 1.6729 0.9733 1.4241 1.0385 1.4190 NA
TRANS-ACONITATE (CAS# 4023-65-8); (M+NA)+ NA NA NA NA NA 1.0000 NA NA NA
TRIMETHYLAMINE (CAS# 75-50-3); (M+H)+ NA 0.9712 0.9679 1.6286 0.2550 NA 1.1657 NA NA
TRYPTOPHANAMIDE (CAS# 20696-57-5); (M+H)+ 1.0625 0.3850 0.4297 0.8565 0.7386 0.3263 0.4399 6.2693 NA
TRYPTOPHANAMIDE (CAS# 20696-57-5); (M+NA)+ NA NA 1.2289 0.8808 NA 1.0105 0.8693 NA NA
TRYPTOPHAN (CAS# 73-22-3); (M+H)+ 0.8875 0.8967 1.0523 0.9909 0.9438 1.0269 1.1478 0.9963 NA
TRYPTOPHAN (CAS# 73-22-3); (M+NA)+ 0.9110 0.9389 0.9563 0.9998 0.9782 1.0983 1.1217 0.9587 NA
TYROSINE (CAS# 60-18-4); (M+H)+ 1.0174 0.7919 1.3899 0.8659 0.7032 0.9210 1.0975 1.0976 NA
TYROSINE (CAS# 60-18-4); (M+NA)+ 0.9240 0.8251 1.3032 0.9042 0.8467 0.9226 1.1683 0.9598 NA
URATE (CAS# 69-93-2); (M+H)+ 1.3760 0.8603 0.9758 0.9165 0.8581 0.8002 1.2026 0.8637 NA
URIDINE (CAS# 58-96-8); (M+H)+ NA NA NA 1.2784 NA NA NA 0.7216 NA
URIDINE (CAS# 58-96-8); (M+NA)+ 0.7617 1.0913 0.9263 1.5091 0.6657 1.3292 0.6521 1.0421 NA
UROCANATE (CAS# 104-98-3); (M+H)+ 1.1820 1.0573 2.1091 0.7584 0.7715 0.8339 1.4079 0.5853 NA
URSODIOL (CAS# 128-13-2); (M+NA)+ 1.0733 1.5393 1.4483 1.3491 1.0469 0.4636 0.9171 0.6467 NA
VALINE (CAS# 72-18-4); (M+H)+ 1.0879 0.7123 1.0868 0.8412 1.1630 0.8673 1.1453 1.1680 NA
VALINE (CAS# 72-18-4); (M+NA)+ 0.8546 2.3027 2.1677 0.4940 1.2103 0.6157 0.4827 0.5448 NA
XANTHINE (CAS# 69-89-6); (M+H)+ NA NA NA NA 0.9587 1.1629 0.4989 1.0269 NA
XANTHOSINE (CAS# 146-80-5); (M+H)+ 0.9692 1.1291 0.9640 1.4036 0.7069 0.8627 0.9098 1.0140 NA
XANTHOSINE (CAS# 146-80-5); (M+NA)+ 0.9422 1.1338 0.9760 1.3723 0.6657 0.8696 0.8853 1.1039 NA
XANTHURENIC ACID (CAS# 59-00-7); (M+H)+ 0.6070 0.5941 1.0864 1.1182 0.5458 1.0128 1.1714 1.3064 NA
XYLOSE (CAS# 58-86-6); (2M+NA)+[-H2O] 1.1611 0.7606 0.7593 0.9465 1.1764 1.0732 NA NA NA
ZEATIN [ISTD] (CAS# 13114-27-7); (M+H)+ 1.0238 0.9941 1.0201 1.0454 0.9707 0.9837 0.9933 0.9747 NA
Run Hierarchial cluster analysis on this study | Run Heatmap cluster analysis on this study

Factors:

F1Feeding:Fast | Group:HCR-AL
F2Feeding:Fast | Group:HCR-CR
F3Feeding:Fast | Group:LCR-AL
F4Feeding:Fast | Group:LCR-CR
F5Feeding:Fed | Group:HCR-AL
F6Feeding:Fed | Group:HCR-CR
F7Feeding:Fed | Group:LCR-AL
F8Feeding:Fed | Group:LCR-CR
F9Feeding:Pooled plasma | Group:Pooled plasma
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