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 Run Hierarchial cluster analysis on this study | Run Heatmap cluster analysis on this studyMetabolite | F1 | F2 | F3 | F4 | F5 | F6 | F7 | F8 | F9 |
---|---|---|---|---|---|---|---|---|---|
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 |
Factors:
F1 | Feeding:Fast | Group:HCR-AL |
F2 | Feeding:Fast | Group:HCR-CR |
F3 | Feeding:Fast | Group:LCR-AL |
F4 | Feeding:Fast | Group:LCR-CR |
F5 | Feeding:Fed | Group:HCR-AL |
F6 | Feeding:Fed | Group:HCR-CR |
F7 | Feeding:Fed | Group:LCR-AL |
F8 | Feeding:Fed | Group:LCR-CR |
F9 | Feeding:Pooled plasma | Group:Pooled plasma |