Data for Differences in bile acids composition between ASCL5 knockout and floxed mice. (Study ST000694)
(Analysis AN001074)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 |
---|---|---|---|---|---|---|---|---|
10-HYDROXYDECANOATE (CAS# 1679-53-4); (M+NA)+ | NA | 0.4217 | NA | NA | NA | 1.1592 | 1.2598 | NA |
11-DEOXYCORTISOL (CAS# 152-58-9); (M+H)+ | NA | NA | NA | NA | NA | 1.0000 | NA | NA |
11-DEOXYCORTISOL (CAS# 152-58-9); (M+NA)+ | 1.3936 | 0.3638 | NA | NA | 1.0607 | NA | NA | NA |
1-(4-HYDROXYPHENYL)-2-AMINOETHANOL (CAS# 104-14-3); (M+H)+[-H2O] | NA | NA | NA | NA | NA | 1.0000 | NA | NA |
16:0-18:0 PC (CAS# 59403-51-9); (M+NA)+ | 0.1298 | NA | NA | NA | 0.4093 | 1.4870 | NA | NA |
16:0 LYSO PC (CAS# 17364-16-8); (M+H)+ | 1.2622 | 0.2247 | 1.2522 | NA | 1.2434 | 0.6741 | 0.9720 | NA |
16:0 LYSO PC (CAS# 17364-16-8); (M+NA)+ | 1.1427 | 0.3307 | 1.4251 | NA | 1.3309 | 0.5470 | 1.2124 | NA |
17BETA-HYDROXYANDROSTAN-3-ONE (CAS# 521-18-6); (M+NA)+ | 0.7971 | 1.2838 | 1.1406 | NA | 0.7307 | 0.7785 | 0.9907 | NA |
18:0 LYSO-PE (CAS# 69747-55-3); (2M+H)+ | 1.0000 | NA | NA | NA | NA | NA | NA | NA |
18:0 LYSO-PE (CAS# 69747-55-3); (M+H)+ | NA | 1.0475 | 0.6065 | NA | 0.8208 | 1.1761 | NA | NA |
18:0 LYSO-PE (CAS# 69747-55-3); (M+NA)+ | NA | 0.8127 | NA | NA | 0.9974 | 1.1900 | NA | NA |
1-AMINOCYCLOPROPANE-1-CARBOXYLATE (CAS# 22059-21-8); (M+H)+ | 1.4267 | 0.5075 | 0.8083 | NA | 1.4242 | 0.9141 | 0.5474 | NA |
1-METHYLADENOSINE (CAS# 15763-06-1); (M+NA)+ | NA | 0.1478 | NA | NA | NA | 2.1448 | 0.7075 | NA |
1-METHYLNICOTINAMIDE (CAS# ); M+ | NA | NA | NA | NA | NA | NA | 1.0000 | NA |
1-METHYLURIC ACID (CAS# 708-79-2); (M+H)+ | NA | 1.0000 | NA | NA | NA | NA | NA | NA |
1-OLEOYL-RAC-GLYCEROL (CAS# 111-03-5); (M+H)+ | 0.2893 | NA | NA | NA | NA | 2.5730 | 0.1376 | NA |
1-OLEOYL-RAC-GLYCEROL (CAS# 111-03-5); (M+H)+[-H2O] | 2.4392 | 0.4345 | 0.8364 | NA | 0.4786 | 0.9354 | 0.6176 | NA |
1-OLEOYL-RAC-GLYCEROL (CAS# 111-03-5); (M+NA)+ | 0.8328 | 1.1705 | 0.2871 | NA | 0.2405 | 2.7697 | 0.6206 | NA |
20:0 LYSO PC (CAS# 108341-80-6); (M+H)+ | NA | 1.0000 | NA | NA | NA | NA | NA | NA |
20:0 LYSO PC (CAS# 108341-80-6); (M+NA)+ | 1.0401 | 0.8892 | 1.3675 | NA | 1.0589 | 0.8325 | 0.7662 | NA |
24:0 SM (D18:1/24:0) (CAS# 60037-60-7); (M+NA)+ | 0.0924 | NA | NA | NA | NA | 1.9076 | NA | NA |
25-HYDROXYCHOLESTEROL (CAS# 2140-46-7); (M+NA)+ | NA | NA | 1.2223 | NA | 0.6918 | NA | 0.8636 | NA |
(2-AMINOETHYL)PHOSPHONATE (CAS# 2041-14-7); (M+H)+ | NA | NA | NA | NA | NA | 1.5949 | 0.4051 | NA |
(2-AMINOETHYL)PHOSPHONATE (CAS# 2041-14-7); (M+NA)+ | NA | 1.5644 | 1.9267 | NA | 0.2143 | 0.7216 | 0.7602 | NA |
2-DEOXY-D-GLUCOSE (CAS# 154-17-6); (M+NA)+ | 0.2597 | NA | NA | NA | NA | NA | 1.7403 | NA |
2^-DEOXYGUANOSINE (CAS# 961-07-9); (2M+H)+ | NA | NA | 1.4152 | NA | NA | 0.7924 | NA | NA |
2^-DEOXYGUANOSINE (CAS# 961-07-9); (M+H)+ | NA | 0.4898 | 0.8961 | NA | 0.2979 | 1.7571 | 0.7124 | NA |
2^-DEOXYGUANOSINE (CAS# 961-07-9); (M+NA)+ | NA | 0.7338 | 0.9474 | NA | 0.1653 | 1.2685 | 1.6769 | NA |
2^-DEOXYINOSINE (CAS# 890-38-0); (2M+NA)+ | NA | 0.5939 | 0.5948 | NA | NA | 2.3329 | 1.2319 | NA |
2^-DEOXYINOSINE (CAS# 890-38-0); (M+H)+ | NA | 0.1127 | 2.1261 | NA | NA | 0.9827 | 0.5623 | NA |
2^-DEOXYINOSINE (CAS# 890-38-0); (M+NA)+ | 0.2781 | 1.3340 | 1.0661 | NA | 0.7012 | 1.2797 | 0.9129 | NA |
2-HYDROXY-4-(METHYLTHIO)BUTYRIC ACID (CAS# 583-91-5); (M+H)+[-H2O] | NA | NA | 1.1239 | NA | NA | NA | 0.7522 | NA |
2-HYDROXY-4-(METHYLTHIO)BUTYRIC ACID (CAS# 583-91-5); (M+NA)+ | NA | NA | 1.0000 | NA | NA | NA | NA | NA |
2-HYDROXYBUTYRATE (CAS# ); (M+NA)+ | 0.5202 | 1.5032 | NA | NA | 0.2787 | 0.7703 | 0.9606 | NA |
2-HYDROXYPYRIDINE (CAS# 142-08-5); (M+H)+ | 0.7594 | 2.4326 | 0.7861 | NA | 0.1768 | 0.5837 | 1.6892 | NA |
2-METHYLGLUTARIC ACID (CAS# 18069-17-5); (M+NA)+ | NA | 1.7344 | 1.0272 | NA | NA | 0.9235 | 0.2878 | NA |
2-METHYLPROPANAL OXIME (CAS# 151-00-8); (M+H)+[-H2O] | 1.1709 | 0.4203 | 0.9572 | NA | 1.7662 | 0.5739 | 1.0674 | NA |
3-(4-HYDROXYPHENYL)LACTATE (CAS# 6482-98-0); (M+H)+ | NA | NA | 1.3086 | NA | NA | 0.6914 | NA | NA |
3-(4-HYDROXYPHENYL)LACTATE (CAS# 6482-98-0); (M+NA)+ | NA | NA | 0.2696 | NA | NA | 1.2344 | 1.2888 | NA |
3-AMINO-4-HYDROXYBENZOIC ACID (CAS# 1571-72-8); (M+H)+ | NA | 1.1460 | NA | NA | NA | NA | 0.8540 | NA |
3-AMINOISOBUTANOATE (CAS# 144-90-1); (M+H)+[-H2O] | NA | NA | NA | NA | NA | 1.0000 | NA | NA |
3BETA-HYDROXY-5ALPHA-PREGNAN-20-ONE (CAS# 516-55-2); (M+NA)+ | NA | NA | NA | NA | NA | 1.0000 | NA | NA |
3BETA-HYDROXYANDROST-5-EN-17-ONE (CAS# 53-43-0); (M+NA)+ | 1.0000 | NA | NA | NA | NA | NA | NA | NA |
3^-CMP (CAS# 63-37-6); (M+H)+ | 1.3944 | 0.9255 | 0.3780 | NA | 1.1167 | NA | 0.9046 | NA |
3-DEHYDROSHIKIMATE (CAS# 2922-42-1); (M+H)+[-H2O] | NA | 2.3391 | NA | NA | NA | NA | 0.5536 | NA |
3-DEHYDROSHIKIMATE (CAS# 2922-42-1); (M+NA)+ | NA | NA | NA | NA | 1.0000 | NA | NA | NA |
3-DEHYDROXYCARNITINE (CAS# 407-64-7); (M+H)+ | 0.9500 | 0.9361 | 1.0138 | NA | 1.0208 | 0.6497 | 1.2640 | NA |
3-HYDROXY-3-METHYLGLUTARATE (CAS# 503-49-1); (M+H)+ | NA | 1.0000 | NA | NA | NA | NA | NA | NA |
3-HYDROXYANTHRANILATE (CAS# 548-93-6); (M+H)+ | NA | NA | NA | NA | NA | 1.3273 | 0.3454 | NA |
3-HYDROXYBENZALDEHYDE (CAS# 100-83-4); (M+H)+[-H2O] | 0.8771 | 1.9913 | NA | NA | NA | 0.1316 | NA | NA |
3-HYDROXYPROPANOATE (CAS# 503-66-2); (M+NA)+ | 1.0776 | 0.9683 | 1.7084 | NA | 0.9094 | 0.5656 | 0.4921 | NA |
3-METHOXY-4-HYDROXYMANDELATE (CAS# 55-10-7); (M+NA)+ | 1.0000 | NA | NA | NA | NA | NA | NA | NA |
3-METHYGLUTARIC ACID (CAS# 626-51-7); (M+NA)+ | NA | 1.8841 | 1.0074 | NA | NA | 0.7886 | 0.3126 | NA |
3-METHYL-2-BUTENAL (CAS# 107-86-8); (M+NA)+ | NA | NA | NA | NA | 1.0000 | NA | NA | NA |
3-METHYLADENINE (CAS# 5142-23-4); (M+H)+ | 0.3183 | 1.4321 | 0.7617 | NA | 0.4701 | 2.4147 | 0.6585 | NA |
3-METHYLADIPIC ACID (CAS# 3058-01-3); (M+NA)+ | 0.9234 | 0.9723 | 0.6309 | NA | 1.1538 | 1.0386 | 1.0720 | NA |
3-UREIDOPROPIONIC ACID (CAS# 462-88-4); (M+H)+ | NA | NA | 0.2850 | NA | 0.3796 | NA | 3.7654 | NA |
4-ACETAMIDOBUTANOATE (CAS# 3025-96-5); (M+H)+ | NA | 1.0000 | NA | NA | NA | NA | NA | NA |
4-ACETAMIDOBUTANOATE (CAS# 3025-96-5); (M+NA)+ | NA | 1.4310 | NA | NA | NA | NA | 0.1380 | NA |
4-ACETAMINOPHEN SULFATE (CAS# 32113-41-0); (M+NA)+ | NA | 1.0000 | NA | NA | NA | NA | NA | NA |
4-AMINOBENZOATE (CAS# 150-13-0); (M+H)+ | 1.1804 | 0.9430 | 0.2193 | NA | 0.8382 | 1.8572 | 0.1705 | NA |
4-COUMARATE (CAS# 501-98-4); (M+H)+ | 1.0000 | NA | NA | NA | NA | NA | NA | NA |
4-COUMARATE (CAS# 501-98-4); (M+H)+[-H2O] | 0.9319 | NA | NA | NA | NA | 1.0340 | NA | NA |
4-GUANIDINOBUTANOATE (CAS# 463-00-3 ); (M+H)+ | 1.4325 | 0.4332 | 0.8151 | NA | 1.4428 | 0.8954 | 0.7553 | NA |
4-HYDROXY-2-QUINOLINECARBOXYLIC ACID-KRYNURENIC ACID (CAS# 492-27-3); (M+H)+ | 0.3816 | 0.7067 | 1.2778 | NA | 0.2067 | 1.9405 | 1.1196 | NA |
4-HYDROXY-3-METHOXY-BENZENEMETHANOL (CAS# 498-00-0); (M+H)+[-H2O] | 0.1902 | 0.9718 | 0.8259 | NA | 0.2229 | 1.4522 | 0.6059 | NA |
4-HYDROXY-3-METHOXYPHENYLGLYCOL (CAS# 67423-45-4); (M+H)+[-H2O] | NA | NA | NA | NA | 1.0000 | NA | NA | NA |
4-PYRIDOXATE (CAS# 82-82-6); (M+H)+ | NA | 0.6618 | 0.5505 | NA | 0.3974 | 1.6912 | 0.8205 | NA |
4-PYRIDOXATE (CAS# 82-82-6); (M+H)+[-H2O] | 0.7547 | 1.1384 | 0.5224 | NA | NA | 1.8815 | 0.3784 | NA |
4-PYRIDOXATE (CAS# 82-82-6); (M+NA)+ | NA | 1.0736 | 1.1335 | NA | 1.2509 | 0.8300 | 0.6971 | NA |
5ALPHA-CHOLEST-7-EN-3BETA-OL (CAS# 80-99-9); (M+H)+[-H2O] | 1.2227 | 0.4096 | NA | NA | 1.5353 | 0.9219 | NA | NA |
5-AMINOPENTANOATE (CAS# 660-88-8); (M+H)+ | 0.6447 | 1.0282 | 0.8955 | NA | 1.0858 | 1.0315 | 1.3515 | NA |
5-HYDROXYINDOLEACETATE (CAS# 54-16-0); (M+H)+ | NA | NA | NA | NA | 1.0000 | NA | NA | NA |
5-HYDROXYMETHYLURACIL (CAS# 4433-40-3); (M+H)+ | NA | NA | NA | NA | 1.0000 | NA | NA | NA |
5-HYDROXYTRYPTOPHAN (CAS# 4350-09-8); (M+H)+ | NA | 1.0000 | NA | NA | NA | NA | NA | NA |
5-METHYLCYTOSINE (CAS# 554-01-8); (2M+H)+ | 2.1686 | 1.3564 | 0.9532 | NA | 0.9885 | NA | 0.1701 | NA |
5-METHYLCYTOSINE (CAS# 554-01-8); (M+H)+ | 1.8260 | 0.2797 | 1.1660 | NA | NA | 0.6150 | NA | NA |
5^-METHYLTHIOADENOSINE (CAS# 2457-80-9); (M+H)+ | 0.3833 | 1.0233 | 1.1419 | NA | 0.6897 | 1.1962 | 1.0960 | NA |
5^-METHYLTHIOADENOSINE (CAS# 2457-80-9); (M+NA)+ | 0.5152 | 1.3145 | 0.9667 | NA | 0.7986 | 1.2046 | 1.1419 | NA |
5-OXOPROLINE (CAS# 4042-36-8); (M+H)+ | 1.0307 | 0.9664 | 0.8724 | NA | 0.8834 | 1.5004 | 0.5818 | NA |
5-OXOPROLINE (CAS# 4042-36-8); (M+NA)+ | 1.1813 | NA | 0.8702 | NA | NA | NA | 0.9485 | NA |
6-CARBOXYHEXANOATE (CAS# 111-16-0); (M+NA)+ | 0.7029 | 2.0712 | 0.5575 | NA | 1.4245 | 0.6114 | 0.9270 | NA |
6-HYDROXYDOPAMINE (CAS# 0); (2M+H)+[-H2O] | NA | NA | NA | NA | 1.0000 | NA | NA | NA |
6-HYDROXYNICOTINATE (CAS# 5006-66-6); (M+H)+ | NA | NA | 0.7126 | NA | NA | 1.3841 | 0.5193 | NA |
ABRINE (CAS# 526-31-8); (M+H)+ | 0.5101 | 0.7356 | 0.7992 | NA | 1.8251 | 0.9143 | 1.0569 | NA |
ABRINE (CAS# 526-31-8); (M+NA)+ | NA | 1.0000 | NA | NA | NA | NA | NA | NA |
ACETAMINOPHEN (TN TYLENOL) (CAS# 103-90-2); (M+H)+ | NA | 1.0000 | NA | NA | NA | NA | NA | NA |
ACETAMINOPHEN (TN TYLENOL) (CAS# 103-90-2); (M+NA)+ | NA | 1.0000 | NA | NA | NA | NA | NA | NA |
ACETYLCHOLINE (CAS# 51-84-3); M+ | NA | NA | 0.1134 | NA | NA | 1.3214 | 0.9223 | NA |
ADENINE (CAS# 73-24-5); (M+H)+ | 0.7005 | 1.5765 | 0.3779 | NA | 1.0538 | 0.9345 | 0.4513 | NA |
ADENOSINE 5^-MONOPHOSPHATE (CAS# 61-19-8); (M+H)+ | 1.1506 | 1.0105 | 1.0638 | NA | 0.9873 | 0.3333 | 1.0349 | NA |
ADENOSINE (CAS# 58-61-7); (M+H)+ | NA | 0.4944 | 0.9044 | NA | 0.3006 | 1.7435 | 0.7191 | NA |
ADIPIC ACID (CAS# 124-04-9 ); (M+NA)+ | NA | 1.8841 | 1.0074 | NA | NA | 0.7886 | 0.3126 | NA |
ADP-RIBOSE (CAS# ); (M+H)+[-H2O] | NA | NA | 0.3263 | NA | 0.4088 | 2.3242 | 0.9640 | NA |
AGMATINE (CAS# 2482-00-0); (M+H)+ | 1.4763 | NA | 0.5237 | NA | NA | NA | NA | NA |
AHBA (CAS# 76045-71-1); (M+H)+ | 0.6294 | 1.1772 | 1.0952 | NA | 0.5302 | 1.4607 | 0.7791 | NA |
ALANINE (CAS# 56-41-7); (2M+H)+[-H2O] | 0.8351 | NA | NA | NA | 1.1649 | NA | NA | NA |
ALANINE (CAS# 56-41-7); (M+H)+ | 0.7986 | 0.3224 | 1.5652 | NA | NA | 0.7635 | 1.3411 | NA |
ALDOSTERONE (CAS# 52-39-1); (M+H)+[-H2O] | NA | NA | 0.8256 | NA | NA | 1.1744 | NA | NA |
ALLANTOIN (CAS# 97-59-6); (M+H)+ | 1.0864 | 0.7741 | 1.2736 | NA | 1.2370 | 0.6447 | 1.3364 | NA |
ALLANTOIN (CAS# 97-59-6); (M+NA)+ | 1.4589 | 0.9932 | 0.5445 | NA | NA | 1.0086 | NA | NA |
ALLOSE (CAS# 2595-97-3); (M+H)+[-H2O] | NA | 1.0000 | NA | NA | NA | NA | NA | NA |
ALPHA-LINOLENIC ACID (CAS# 463-40-1); (M+NA)+ | 1.2431 | 1.0153 | 0.9701 | NA | 0.9795 | 0.9335 | 0.8838 | NA |
ANDROSTERONE (CAS# 53-41-8); (M+NA)+ | 1.2202 | NA | NA | NA | 0.7798 | NA | NA | NA |
ARABINOSE (CAS# 147-81-9); (M+NA)+ | 0.9341 | 0.9725 | 1.0574 | NA | 1.6233 | 0.5640 | 0.5324 | NA |
ARACHIDIC ACID (CAS# 506-30-9); (M+NA)+ | NA | NA | NA | NA | NA | 0.9585 | 1.0415 | NA |
ASCORBATE (CAS# 50-81-7); (M+H)+[-H2O] | 1.3861 | 2.2368 | 0.1750 | NA | 0.2006 | 0.6285 | 0.8450 | NA |
ASPARAGINE (CAS# 70-47-3); (M+H)+ | 0.1267 | 0.0813 | 0.4680 | NA | 0.5703 | NA | 2.9088 | NA |
ASPARAGINE (CAS# 70-47-3); (M+NA)+ | NA | NA | NA | NA | NA | 0.9013 | 1.0494 | NA |
ASPARTATE (CAS# 56-84-8); (M+H)+ | NA | 0.6422 | NA | NA | NA | 0.9311 | 1.1422 | NA |
ASPARTATE (CAS# 56-84-8); (M+NA)+ | 1.7841 | 1.0219 | 0.7356 | NA | NA | 0.9089 | 1.2386 | NA |
AZELAIC ACID (CAS# 123-99-9); (M+H)+[-H2O] | NA | 1.1622 | NA | NA | NA | 0.8663 | 1.5064 | NA |
AZELAIC ACID (CAS# 123-99-9); (M+NA)+ | 0.6753 | 1.2983 | 0.8040 | NA | 0.5498 | 1.6170 | 0.9591 | NA |
BETA-ALANINE (CAS# 107-95-9); (M+H)+ | 1.1795 | 0.9942 | 0.7012 | NA | 1.6777 | 0.3324 | 0.9559 | NA |
BETA-ALANYL-N(PAI)-METHYL-L-HISTIDINE (CAS# 584-85-0); (M+NA)+ | NA | NA | 0.4679 | NA | NA | 0.8119 | 1.4542 | NA |
BETAINE (CAS# 107-43-7); (M+H)+ | 0.6303 | 1.0042 | 0.8838 | NA | 1.0634 | 1.1602 | 1.3316 | NA |
BETAINE (CAS# 107-43-7); (M+NA)+ | 0.8918 | 0.5989 | 0.9384 | NA | 1.0867 | 1.5548 | 1.0034 | NA |
BETA-MALTOSE (CAS# 69-79-4); (2M+NA)+ | 0.1387 | NA | NA | NA | 1.8613 | NA | NA | NA |
BETA-MALTOSE (CAS# 69-79-4); (M+NA)+ | 0.3758 | 1.2499 | 1.7142 | NA | 0.4980 | NA | 1.2882 | NA |
BILIRUBIN (CAS# 635-65-4); (M+H)+[-H2O] | 1.2602 | 0.8124 | NA | NA | 0.2945 | 0.2206 | 1.8920 | NA |
BILIVERDIN (CAS# 114-25-0); (M+H)+ | NA | 0.9673 | 0.8668 | NA | NA | 1.2444 | 1.0437 | NA |
BILIVERDIN (CAS# 114-25-0); (M+NA)+ | NA | NA | 0.7229 | NA | NA | 0.8531 | 1.3589 | NA |
BIOTIN (CAS# 58-85-5); (2M+H)+ | NA | NA | NA | NA | NA | NA | 1.0000 | NA |
BIOTIN (CAS# 58-85-5); (M+NA)+ | NA | NA | NA | NA | NA | 1.1526 | 0.8474 | NA |
BIS(2-ETHYLHEXYL)PHTHALATE (CAS# 117-81-7); (M+H)+ | 1.1042 | 0.8068 | 0.8282 | NA | 1.1153 | 1.1377 | 0.8813 | NA |
BIS(2-ETHYLHEXYL)PHTHALATE (CAS# 117-81-7); (M+NA)+ | 1.0127 | 0.9729 | 1.0048 | NA | 0.9883 | 1.0107 | 1.0096 | NA |
BIS(3-AMINOPROPYL)AMINE OR CALINE (CAS# 56-18-8); (M+H)+ | NA | NA | NA | NA | NA | 1.0000 | NA | NA |
BIURET (CAS# 108-19-0); (M+H)+ | NA | NA | NA | NA | NA | 1.0000 | NA | NA |
BIURET (CAS# 108-19-0); (M+NA)+ | NA | 0.1334 | 1.5956 | NA | 0.5586 | 1.2758 | 0.8411 | NA |
BOC-A-(1-NAPHTHYLMETHYL)-DL-PRO-OH (CAS# 351002-65-8); (M+NA)+ | NA | 1.0000 | NA | NA | NA | NA | NA | NA |
BOC-HIS-OH (CAS# 17791-52-5); (M+H)+ | NA | NA | NA | NA | 1.0000 | NA | NA | NA |
BOC-PRO-OH (CAS# 15761-39-4); (2M+NA)+ | NA | NA | 1.4011 | NA | NA | NA | 0.5989 | NA |
C12 GALACTOSYL(BETA) CERAMIDE (D18:1/12:0) (CAS# 41613-14-3); (M+H)+ | 1.0000 | NA | NA | NA | NA | NA | NA | NA |
C12 GALACTOSYL(BETA) CERAMIDE (D18:1/12:0) (CAS# 41613-14-3); (M+NA)+ | 1.6097 | 0.7238 | 0.5867 | NA | 0.9983 | 0.8977 | 1.2811 | NA |
CALCIDIOL (CAS# 19356-17-3); (M+NA)+ | NA | 0.1962 | 2.4994 | NA | NA | NA | 0.3044 | NA |
CARNOSINE (CAS# 305-84-0); (M+H)+ | 0.5791 | NA | 2.3549 | NA | 1.1023 | 0.3061 | 0.8203 | NA |
CARNOSINE (CAS# 305-84-0); (M+NA)+ | 1.0000 | NA | NA | NA | NA | NA | NA | NA |
CELLOBIOSE (CAS# 528-50-7); (M+NA)+ | 0.3753 | 1.2500 | 1.7144 | NA | 0.4980 | NA | 1.2883 | NA |
CHOLATE (CAS# 81-25-4); (2M+H)+ | 0.8283 | 1.6314 | 1.9832 | NA | 0.2226 | 0.6994 | 0.8665 | NA |
CHOLATE (CAS# 81-25-4); (2M+H)+[-H2O] | 0.7245 | 1.5133 | 1.8303 | NA | 0.2167 | 0.8135 | 0.8903 | NA |
CHOLATE (CAS# 81-25-4); (2M+NA)+ | 0.8236 | 1.6131 | 1.9569 | NA | 0.2764 | 0.7085 | 0.9562 | NA |
CHOLATE (CAS# 81-25-4); (M+NA)+ | 1.1667 | 0.7484 | 1.3960 | NA | 0.8590 | 0.7686 | 1.0959 | NA |
CHOLESTEROL (CAS# 57-88-5); (M+H)+[-H2O] | 1.2227 | 0.4096 | NA | NA | 1.5353 | 0.9219 | NA | NA |
CHOLINE (CAS# 62-49-7); M+ | 2.0254 | 0.6077 | 0.4391 | NA | 1.2619 | 0.1551 | 0.7658 | NA |
CHOLINE PHOSPHATE (CAS# 107-73-3); (M+H)+ | 1.5521 | 0.6411 | 0.8007 | NA | 1.0700 | NA | 0.6365 | NA |
CHOLINE PHOSPHATE (CAS# 107-73-3); (M+NA)+ | 1.1319 | NA | 0.9695 | NA | 0.5715 | NA | 1.6238 | NA |
CIS-VACCENIC ACID (CAS# 506-17-2); (M+H)+ | 1.3603 | 1.1438 | 0.7430 | NA | 0.7596 | 1.4700 | 0.4967 | NA |
CIS-ZEATIN (CAS# 1637-39-4); (M+H)+ | 0.9620 | 1.0936 | 1.0781 | NA | 0.9839 | 0.8834 | 1.0139 | NA |
CITRATE (CAS# 77-92-9); (M+NA)+ | 1.0083 | 0.9837 | 0.9610 | NA | 1.9170 | 0.3766 | 0.5079 | NA |
CITRULLINE (CAS# 372-75-8); (M+NA)+ | NA | NA | 0.8884 | NA | 0.1340 | 1.5212 | 0.9518 | NA |
CMP (CAS# 63-37-6); (M+H)+ | 1.3081 | 0.5901 | 1.2853 | NA | 1.0439 | 0.2880 | 0.7457 | NA |
CORTICOSTERONE (CAS# 50-22-6); (M+H)+ | NA | NA | NA | NA | NA | 1.0000 | NA | NA |
CORTICOSTERONE (CAS# 50-22-6); (M+NA)+ | 2.0096 | 0.3829 | 0.7931 | NA | 1.0053 | NA | NA | NA |
CORTISOL 21-ACETATE (CAS# 50-03-3); (M+H)+[-H2O] | NA | NA | NA | NA | NA | 1.0000 | NA | NA |
CORTISOL 21-ACETATE (CAS# 50-03-3); (M+NA)+ | NA | 0.9959 | 1.2142 | NA | NA | 0.9727 | 0.6303 | NA |
CREATINE (CAS# 57-00-1); (M+H)+ | 1.1497 | 1.1248 | 0.6727 | NA | 1.4516 | 0.3858 | 0.9672 | NA |
CREATININE (CAS# 60-27-5); (M+NA)+ | NA | NA | NA | NA | 1.0000 | NA | NA | NA |
CREATININE-(GUANIDINO-13C) [ISTD] (CAS# ); (2M+H)+ | 0.9548 | 1.2864 | 0.6946 | NA | 1.3380 | 0.8282 | 0.7136 | NA |
CREATININE-(GUANIDINO-13C) [ISTD] (CAS# ); (2M+NA)+ | 0.9680 | 1.2088 | NA | NA | 0.9809 | NA | 0.8679 | NA |
CREATININE-(GUANIDINO-13C) [ISTD] (CAS# ); (M+H)+ | 0.9216 | 1.2828 | NA | NA | 1.4921 | NA | 0.5104 | NA |
CREATININE-(GUANIDINO-13C) [ISTD] (CAS# ); (M+NA)+ | 0.5239 | 2.0208 | NA | NA | 0.9816 | 0.0561 | 1.1929 | NA |
CYSTATHIONINE (CAS# 56-88-2); (M+H)+[-H2O] | 1.9180 | NA | NA | NA | 0.3247 | NA | 1.1899 | NA |
CYSTINE (CAS# 56-89-3); (M+H)+ | 0.4855 | 1.5145 | NA | NA | NA | NA | NA | NA |
CYSTINE (CAS# 56-89-3); (M+NA)+ | 1.9169 | NA | 0.6050 | NA | NA | NA | 0.6757 | NA |
CYTIDINE (CAS# 65-46-3); (2M+H)+ | 2.1553 | 0.4740 | 0.5700 | NA | 1.0710 | 0.8340 | 0.6041 | NA |
CYTIDINE (CAS# 65-46-3); (M+H)+ | 0.3923 | 0.8385 | 0.9487 | NA | 1.0459 | 1.5085 | 0.8108 | NA |
CYTOSINE (CAS# 71-30-7); (M+H)+ | 1.0012 | 0.8563 | 1.0438 | NA | 0.6701 | 0.9526 | 1.4409 | NA |
CYTOSINE (CAS# 71-30-7); (M+NA)+ | 0.7706 | NA | NA | NA | 1.1147 | NA | NA | NA |
DAMP (CAS# 653-63-4); (M+H)+ | NA | 1.0288 | 1.3547 | NA | 0.5248 | NA | 0.8312 | NA |
D-(-)-ARABINOSE (CAS# 10323-20-3); (M+NA)+ | 0.9267 | 0.9749 | 1.0600 | NA | 1.6272 | 0.5653 | 0.5337 | NA |
DEBRISOQUIN (CAS# 581-88-4); (M+H)+ | 0.2796 | 0.4674 | 3.7313 | NA | 0.3133 | 0.2703 | 0.4271 | NA |
DECANOATE (CAS# 334-48-5); (2M+NA)+ | 0.9008 | 1.0279 | NA | NA | 1.0805 | 0.9929 | 1.0223 | NA |
DEHYDROASCORBATE (CAS# 490-83-5); (M+H)+[-H2O] | 1.4681 | 1.0773 | 1.2293 | NA | 0.7834 | NA | 0.5876 | NA |
DEOXYADENOSINE (CAS# 16373-93-6); (M+H)+ | NA | 0.8402 | 1.2552 | NA | NA | 0.9923 | 1.2016 | NA |
DEOXYADENOSINE (CAS# 16373-93-6); (M+NA)+ | NA | 0.5355 | NA | NA | NA | 1.4645 | NA | NA |
DEOXYCHOLIC ACID (CAS# 83-44-3); (2M+H)+ | 0.7190 | 0.8615 | 1.2291 | NA | NA | 1.1793 | 0.9854 | NA |
DEOXYCHOLIC ACID (CAS# 83-44-3); (2M+NA)+ | 0.7058 | 1.0482 | 1.7720 | NA | 0.1816 | 1.1420 | 0.3498 | NA |
DEOXYCHOLIC ACID (CAS# 83-44-3); (M+H)+ | NA | 1.7802 | NA | NA | NA | 0.2198 | NA | NA |
DEOXYCHOLIC ACID (CAS# 83-44-3); (M+H)+[-H2O] | 0.9593 | 1.1708 | 1.2257 | NA | 0.4479 | 0.8995 | 0.6877 | NA |
DEOXYCHOLIC ACID (CAS# 83-44-3); (M+NA)+ | 1.1950 | 1.0476 | 2.5004 | NA | 0.3267 | 0.5450 | 0.5789 | NA |
DEOXYCYTIDINE (CAS# 951-77-9); (2M+H)+ | NA | 0.4883 | 0.3572 | NA | 0.1005 | 0.5498 | 2.7330 | NA |
DEOXYCYTIDINE (CAS# 951-77-9); (2M+NA)+ | NA | 1.3068 | NA | NA | NA | 0.6932 | NA | NA |
DEOXYCYTIDINE (CAS# 951-77-9); (M+H)+ | 0.0758 | 1.2873 | 1.3212 | NA | 0.2329 | 1.8296 | 1.0302 | NA |
DEOXYURIDINE (CAS# 951-78-0); (M+NA)+ | NA | 1.7384 | NA | NA | NA | 0.5003 | 0.7613 | NA |
DETHIOBIOTIN (CAS# 533-48-2); (2M+H)+ | 2.0040 | 0.3022 | 0.5311 | NA | 1.0898 | 0.1156 | 0.4588 | NA |
DETHIOBIOTIN (CAS# 533-48-2); (2M+NA)+ | 1.0000 | NA | NA | NA | NA | NA | NA | NA |
DETHIOBIOTIN (CAS# 533-48-2); (M+H)+ | 1.1996 | NA | 0.2159 | NA | 1.1854 | NA | NA | NA |
D-GALACTOSAMINE (CAS# 7535-00-4); (2M+NA)+ | NA | NA | NA | NA | 1.0000 | NA | NA | NA |
D-GALACTOSAMINE (CAS# 7535-00-4); (M+H)+[-H2O] | 0.8358 | 0.2397 | 0.9409 | NA | NA | 2.7006 | 0.5811 | NA |
D-GALACTOSAMINE (CAS# 7535-00-4); (M+NA)+ | 1.0933 | NA | 0.7331 | NA | 1.0257 | NA | 1.4147 | NA |
DGDP (CAS# 653-63-4); (M+H)+ | NA | 1.0288 | 1.3547 | NA | 0.5248 | NA | 0.8312 | NA |
D-GLUCOSAMINE (CAS# 3416-24-8); (M+NA)+ | 1.0933 | NA | 0.7331 | NA | 1.0257 | NA | 1.4147 | NA |
D-GLUCURONOLACTONE (CAS# 32449-92-6); (M+NA)+ | 0.8217 | 1.1783 | NA | NA | NA | NA | NA | NA |
DGMP (CAS# 902-04-5); (M+H)+ | 1.1287 | 0.9679 | 1.3293 | NA | 0.9309 | 0.3425 | 1.0185 | NA |
DIETHANOLAMINE (CAS# 111-42-2); (M+NA)+ | 0.7689 | NA | NA | NA | NA | NA | 1.2311 | NA |
DIETHYL 2-METHYL-3-OXOSUCCINATE (CAS# 759-65-9); (M+H)+ | NA | NA | 1.0885 | NA | 0.8229 | NA | NA | NA |
DIETHYLSTILBESTROL (CAS# 56-53-1); (M+H)+ | NA | NA | NA | NA | NA | 1.0000 | NA | NA |
DIPHENHYDRAMINE (CAS# 147-24-0); (M+H)+ | NA | 1.0000 | NA | NA | NA | NA | NA | NA |
D-LYXOSE (CAS# 1114-34-7); (M+NA)+ | 0.9692 | 1.0091 | 1.0972 | NA | 1.6844 | 0.4226 | 0.5524 | NA |
D-MANNOSAMINE (CAS# 14307-02-9); (M+H)+[-H2O] | 0.8358 | 0.2397 | 0.9409 | NA | NA | 2.7006 | 0.5811 | NA |
D-MANNOSAMINE (CAS# 14307-02-9); (M+NA)+ | 1.0933 | NA | 0.7331 | NA | 1.0257 | NA | 1.4147 | NA |
D-ORNITHINE (CAS# 348-66-3); (M+H)+ | 0.4814 | NA | NA | NA | 2.8513 | 0.1858 | NA | NA |
D-PSICOSE (CAS# 551-68-8); (2M+NA)+[-H2O] | 0.0802 | 3.3302 | NA | NA | 0.2038 | NA | 1.1820 | NA |
DUMP (CAS# 964-26-1); (M+H)+ | 0.8550 | 0.4739 | 1.1588 | NA | 0.6803 | 1.5572 | 0.9925 | NA |
DUMP (CAS# 964-26-1); (M+NA)+ | NA | 0.5405 | 0.7099 | NA | NA | 1.1052 | 2.3530 | NA |
ELAIDIC ACID (CAS# 112-79-8); (M+H)+ | 1.3585 | 1.1442 | 0.7432 | NA | 0.7598 | 1.4705 | 0.4969 | NA |
ELAIDIC ACID (CAS# 112-79-8); (M+NA)+ | 1.2033 | 1.1438 | 0.8639 | NA | 1.2929 | 0.6519 | 0.8502 | NA |
EPIANDROSTERONE (CAS# 481-29-8); (M+H)+[-H2O] | NA | NA | 1.0000 | NA | NA | NA | NA | NA |
EPIANDROSTERONE (CAS# 481-29-8); (M+NA)+ | 0.7041 | 1.4710 | 1.1352 | NA | 0.4906 | 0.8410 | 1.0710 | NA |
ERYTHRITOL (CAS# 149-32-6); (M+NA)+ | 0.8705 | NA | 1.3043 | NA | NA | NA | 0.9774 | NA |
ESTRADIOL-17BETA (CAS# 50-28-2); (M+NA)+ | NA | 1.0000 | NA | NA | NA | NA | NA | NA |
ESTRONE (CAS# 53-16-7); (M+H)+ | NA | NA | 1.0000 | NA | NA | NA | NA | NA |
ESTRONE (CAS# 53-16-7); (M+NA)+ | 0.7211 | 0.4874 | 0.8694 | NA | NA | 0.9950 | 1.9270 | NA |
ETHANOLAMINE (CAS# 141-43-5); (M+NA)+ | NA | NA | NA | NA | NA | 1.0000 | NA | NA |
ETHYL 3-UREIDOPROPIONATE (CAS# 198879-21-9); (M+H)+ | NA | NA | NA | NA | NA | 1.0000 | NA | NA |
ETHYLMALONIC ACID (CAS# 601-75-2); (M+NA)+ | NA | 1.2315 | 0.5752 | NA | NA | 1.2742 | 0.5640 | NA |
FERULATE (CAS# 1135-24-6); (M+H)+ | 0.3951 | 0.6056 | NA | NA | 0.1569 | 3.2505 | 0.1704 | NA |
FERULATE (CAS# 1135-24-6); (M+H)+[-H2O] | 0.6536 | 0.7850 | 0.8693 | NA | 0.5601 | 1.7132 | 0.6969 | NA |
FERULATE (CAS# 1135-24-6); (M+NA)+ | 0.3347 | NA | 0.3903 | NA | NA | 1.6468 | NA | NA |
FOLIC ACID (CAS# 59-30-3); (M+H)+ | NA | NA | NA | NA | NA | 1.0000 | NA | NA |
FRUCTOSE (CAS# 57-48-7); (M+NA)+ | 1.9414 | 0.5729 | 1.4985 | NA | 1.4682 | 0.2502 | 0.3163 | NA |
GALACTITOL OR DULCITOL (CAS# 608-66-2); (M+H)+ | 0.5929 | 1.6073 | NA | NA | NA | 0.8999 | NA | NA |
GALACTITOL OR DULCITOL (CAS# 608-66-2); (M+NA)+ | 1.1533 | 1.3655 | 1.6124 | NA | 0.4751 | 0.3327 | 0.6508 | NA |
GALACTURONIC ACID (CAS# 91510-62-2); (M+NA)+[-H2O] | 1.0000 | NA | NA | NA | NA | NA | NA | NA |
GAMMA-BUTYROLACTONE (CAS# 96-48-0); (M+H)+ | NA | NA | 1.4180 | NA | NA | 0.5820 | NA | NA |
GAMMA-L-GLUTAMYL-L-CYSTEINE (CAS# 686-58-8); (M+H)+ | 1.9021 | NA | NA | NA | NA | 1.3666 | 0.1823 | NA |
GAMMA-L-GLUTAMYL-L-CYSTEINE (CAS# 686-58-8); (M+H)+[-H2O] | NA | NA | NA | NA | NA | NA | 1.0000 | NA |
GAMMA-LINOLENIC ACID (CAS# 506-26-3); (M+NA)+ | 1.2431 | 1.0153 | 0.9701 | NA | 0.9795 | 0.9335 | 0.8838 | NA |
GIBBERELLIC ACID [ISTD] (CAS# 77-06-5); (2M+NA)+ | 1.1907 | NA | 0.6713 | NA | 0.9666 | NA | 1.0070 | NA |
GIBBERELLIC ACID [ISTD] (CAS# 77-06-5); (M+NA)+ | 0.9974 | 1.0319 | 1.0557 | NA | 1.0306 | 0.8749 | 1.0128 | NA |
GLUCONIC ACID (CAS# 526-95-4); (M+NA)+ | NA | 1.0000 | NA | NA | NA | NA | NA | NA |
GLUCOSAMINE 6-PHOSPHATE (CAS# 3616-42-0); (M+NA)+ | NA | 1.2718 | 0.7282 | NA | NA | NA | NA | NA |
GLUCOSE (CAS# 50-99-7); (2M+NA)+ | 2.0601 | NA | 0.8123 | NA | 0.2987 | NA | 0.8453 | NA |
GLUCOSE (CAS# 50-99-7); (2M+NA)+[-H2O] | 0.0822 | 3.3516 | NA | NA | 0.1883 | NA | 1.1896 | NA |
GLUCOSE (CAS# 50-99-7); (M+NA)+ | 1.8397 | 0.5537 | 1.4395 | NA | 1.4756 | 0.1795 | 0.6325 | NA |
GLUCURONIC ACID (CAS# 6556-12-3); (M+NA)+ | 0.6440 | 1.3560 | NA | NA | NA | NA | NA | NA |
GLUTAMATE (CAS# 56-86-0); (M+H)+ | 1.0824 | 1.1626 | 1.2371 | NA | 0.3871 | 1.4534 | 0.4783 | NA |
GLUTAMATE (CAS# 56-86-0); (M+H)+[-H2O] | 1.2657 | 1.1954 | 1.0610 | NA | 1.4866 | 0.3842 | 0.6185 | NA |
GLUTAMINE (CAS# 56-85-9); (M+NA)+ | 1.3564 | 0.3662 | NA | NA | 1.0298 | NA | NA | NA |
GLUTATHIONE (CAS# 27025-41-8); (M+H)+ | 1.3060 | 1.2012 | NA | NA | 0.3838 | NA | 0.7045 | NA |
GLUTATHIONE (CAS# 27025-41-8); (M+H2)+2 | 1.7088 | 1.5419 | NA | NA | 0.3287 | NA | 1.1380 | NA |
GLYCOCHENODEOXYCHOLATE (CAS# 640-79-9); (M+NA)+ | 0.7338 | NA | 1.2431 | NA | NA | 0.7544 | 1.0243 | NA |
GLYCOCHOLATE (CAS# 475-31-0); (2M+H)+ | 0.8945 | NA | NA | NA | NA | 1.2111 | NA | NA |
GLYCOCHOLATE (CAS# 475-31-0); (2M+NA)+ | 1.1428 | NA | 1.5886 | NA | NA | 0.2686 | NA | NA |
GLYCOCHOLATE (CAS# 475-31-0); (M+H)+ | 1.3277 | 1.4993 | 1.0213 | NA | 0.3541 | 1.1346 | 1.0036 | NA |
GLYCOCHOLATE (CAS# 475-31-0); (M+H)+[-H2O] | 1.1473 | 2.3446 | 1.0717 | NA | 0.3657 | 0.9478 | 0.7642 | NA |
GLYCOCHOLATE (CAS# 475-31-0); (M+NA)+ | 1.3193 | 1.6897 | 1.2083 | NA | 0.4369 | 0.7038 | 0.8840 | NA |
GUAIFENESIN (CAS# 93-14-1); (M+H)+ | NA | 0.5568 | NA | NA | NA | 1.4432 | NA | NA |
GUANINE (CAS# 73-40-5); (2M+NA)+ | 0.9949 | 1.5665 | 0.8089 | NA | 0.8474 | 1.5589 | 0.3579 | NA |
GUANINE (CAS# 73-40-5); (M+H)+ | 1.2685 | 0.7291 | 0.8174 | NA | 1.0696 | 1.5180 | 0.5153 | NA |
GUANINE (CAS# 73-40-5); (M+NA)+ | 0.9185 | 1.3898 | 0.9541 | NA | 0.7963 | 1.3002 | 0.8760 | NA |
GUANOSINE 5^-PHOSPHATE (CAS# 85-32-5); (M+H)+ | 0.8711 | 0.7745 | 1.6278 | NA | 0.8562 | NA | 1.6897 | NA |
GUANOSINE (CAS# 118-00-3); (M+H)+ | 1.8951 | 0.3372 | 0.9491 | NA | 1.7964 | 0.5370 | 0.4781 | NA |
GUANOSINE (CAS# 118-00-3); (M+NA)+ | 1.3032 | 0.8779 | 0.8886 | NA | 1.7659 | 0.2848 | 0.8717 | NA |
HIPPURATE (CAS# 495-69-2); (M+H)+ | 0.6602 | 2.5937 | 0.0859 | NA | NA | NA | NA | NA |
HIPPURATE (CAS# 495-69-2); (M+NA)+ | 0.6105 | 1.3895 | NA | NA | NA | NA | NA | NA |
HISTAMINE (CAS# 51-45-6); (M+H)+ | 0.7156 | 0.7013 | 1.3023 | NA | 0.8607 | 1.7044 | NA | NA |
HOMOGENTISATE (CAS# 451-13-8); (M+H)+ | NA | 1.3942 | 0.6058 | NA | NA | NA | NA | NA |
HOMOSERINE (CAS# 672-15-1); (M+H)+ | 0.9012 | 1.0242 | 0.6396 | NA | 2.5688 | 0.9336 | 0.5297 | NA |
HOMOSERINE (CAS# 672-15-1); (M+NA)+ | 0.8030 | 1.7741 | 1.0933 | NA | 0.9767 | 0.9479 | 0.8253 | NA |
HOMOVANILLATE (CAS# 306-08-1); (M+H)+ | 0.9565 | 2.2154 | 0.5395 | NA | 1.3649 | 0.4144 | 0.5093 | NA |
HYODEOXYCHOLATE (CAS# 83-49-8); (M+NA)+ | 0.5161 | 1.5465 | 1.3325 | NA | 0.6979 | 1.5563 | 0.4671 | NA |
HYPOXANTHINE (CAS# 68-94-0); (M+H)+ | 1.2047 | 1.4990 | 0.8633 | NA | 0.9151 | 1.0090 | 0.5167 | NA |
HYPOXANTHINE (CAS# 68-94-0); (M+NA)+ | 1.3434 | 1.7060 | 0.2092 | NA | 0.3484 | 0.7016 | 1.0316 | NA |
IBUPROFEN CARBOXYLIC ACID (CAS# 15935-54-3); (M+H)+[-H2O] | NA | 1.0000 | NA | NA | NA | NA | NA | NA |
IBUPROFEN CARBOXYLIC ACID (CAS# 15935-54-3); (M+NA)+ | NA | 1.0000 | NA | NA | NA | NA | NA | NA |
IMIDAZOLE-4-ACETATE (CAS# 645-65-8); (M+H)+ | NA | 0.9139 | 1.0861 | NA | NA | NA | NA | NA |
INDOLE-3-ACETALDEHYDE (CAS# 2591-98-2); (M+H)+ | 0.1861 | 2.2690 | 1.5147 | NA | 0.6237 | 0.5674 | NA | NA |
INDOLE-3-ACETATE (CAS# 87-51-4); (M+H)+ | 0.5903 | 1.2605 | NA | NA | NA | NA | 1.1492 | NA |
INDOLE-3-ACETATE (CAS# 87-51-4); (M+NA)+ | NA | NA | 0.9376 | NA | 0.9353 | 1.1591 | 0.8090 | NA |
INDOLE-3-PYRUVIC ACID (CAS# 392-12-1); (M+NA)+ | NA | NA | NA | NA | NA | 1.0000 | NA | NA |
INOSINE 5^-PHOSPHATE (CAS# 131-99-7); (M+H)+ | NA | NA | NA | NA | NA | NA | 1.0000 | NA |
INOSINE (CAS# 58-63-9); (M+H)+ | 0.8512 | 0.4135 | 1.9591 | NA | 0.9016 | NA | 1.2706 | NA |
INOSINE (CAS# 58-63-9); (M+NA)+ | 1.0695 | 0.6410 | 0.6716 | NA | 1.5938 | 0.9618 | 0.7800 | NA |
ISOLEUCINE (CAS# 73-32-5); (M+H)+ | 1.0735 | 0.7488 | 1.1848 | NA | 0.7457 | 1.1902 | 1.0424 | NA |
ISOLEUCINE (CAS# 73-32-5); (M+NA)+ | 1.1306 | 1.3027 | 0.9128 | NA | 1.2991 | 0.9119 | 0.5987 | NA |
JASMONIC ACID [ISTD] (CAS# 77026-92-7); (M+H)+ | 0.9870 | 1.1005 | 1.0679 | NA | 0.9989 | 0.8822 | 0.9807 | NA |
JASMONIC ACID [ISTD] (CAS# 77026-92-7); (M+NA)+ | 0.9579 | 1.0922 | 1.0986 | NA | 0.9630 | 0.8920 | 1.0129 | NA |
KYNURENINE (CAS# 343-65-7); (M+H)+ | 0.7032 | 0.7610 | 1.1039 | NA | 0.6543 | 1.0883 | 1.4824 | NA |
L-[15N]ANTHRANILIC ACID [ISTD] (CAS# ); (M+H)+ | NA | NA | 0.9704 | NA | NA | NA | 1.0296 | NA |
LACTOSE (CAS# 63-42-3); (M+K)+ | 1.1148 | 1.5974 | 0.4904 | NA | NA | 1.1370 | 0.6603 | NA |
LACTOSE (CAS# 63-42-3); (M+NA)+ | 0.3718 | 1.2412 | 1.7498 | NA | 0.4934 | NA | 1.2765 | NA |
L-ALLOTHREONINE (CAS# 28954-12-3); (M+H)+ | 0.9112 | 0.9965 | 0.6246 | NA | 2.5973 | 0.9439 | 0.5356 | NA |
L-ALLOTHREONINE (CAS# 28954-12-3); (M+H)+[-H2O] | 0.9384 | 0.9883 | 0.6579 | NA | 1.3798 | 0.5159 | 0.9475 | NA |
L-ARGININE (CAS# 74-79-3); (M+H)+ | 1.5196 | 1.1637 | 1.0510 | NA | 1.0401 | 0.7673 | 0.7758 | NA |
L-ARGININE (CAS# 74-79-3); (M+NA)+ | 1.2138 | 0.8793 | 1.0411 | NA | 1.1352 | 0.8624 | 0.9199 | NA |
L-ARGININE-(GUANIDINEIMINO-15N2) [ISTD] (CAS# ); (M+H)+ | 1.1456 | 1.2284 | 0.6177 | NA | 1.3638 | 0.4658 | 1.0377 | NA |
LAURIC ACID (CAS# 143-07-7); (M+NA)+ | NA | NA | NA | NA | NA | 1.0000 | NA | NA |
LAUROYLCARNITINE (CAS# 25518-54-1); (M+H)+ | 1.4724 | 0.6002 | 1.0668 | NA | 0.6634 | NA | 0.9900 | NA |
LAUROYLCARNITINE (CAS# 25518-54-1); (M+NA)+ | NA | NA | NA | NA | NA | 1.0000 | NA | NA |
L-CARNITINE (CAS# 541-15-1); (M+H)+ | 1.1244 | 1.2770 | 0.3477 | NA | 1.6898 | 0.6813 | 0.7754 | NA |
LEUCINE (CAS# 328-39-2); (M+H)+ | 1.1056 | 0.8046 | 1.0899 | NA | 0.8112 | 1.2328 | 0.9466 | NA |
LEUCINE (CAS# 328-39-2); (M+NA)+ | 1.2216 | 1.0095 | 0.9638 | NA | 1.0729 | 0.9814 | 0.8175 | NA |
LEUKOTRIENE B4 (CAS# 71160-24-2); (M+H)+ | 1.5920 | 0.0959 | 0.4882 | NA | 1.2844 | 0.0806 | 1.7609 | NA |
LEUKOTRIENE B4 (CAS# 71160-24-2); (M+H)+[-H2O] | 0.6831 | 0.7210 | 2.5824 | NA | 0.4294 | 1.5401 | 0.9884 | NA |
LEUKOTRIENE B4 (CAS# 71160-24-2); (M+NA)+ | 0.6906 | 0.9100 | 0.4743 | NA | 1.5142 | 1.2910 | 0.9022 | NA |
L-GULONATE (CAS# 6322-07-2); (M+H)+[-H2O] | 1.0590 | NA | 0.9705 | NA | NA | NA | NA | NA |
L-GULONATE (CAS# 6322-07-2); (M+NA)+ | NA | 1.0000 | NA | NA | NA | NA | NA | NA |
L-GULONATE (CAS# 6322-07-2); (M+NA)+[-H2O] | NA | NA | 1.1633 | NA | NA | NA | 0.6733 | NA |
L-HISTIDINE (CAS# 71-00-1); (M+H)+ | 1.0791 | 0.5763 | 1.2634 | NA | 2.1341 | 0.6411 | 0.5133 | NA |
L-HISTIDINE (CAS# 71-00-1); (M+NA)+ | 0.4995 | 1.2546 | NA | NA | 0.5088 | 1.1766 | 1.1036 | NA |
L-HISTIDINOL (CAS# 4836-52-6); (M+H)+ | NA | NA | 1.0000 | NA | NA | NA | NA | NA |
LITHOCHOLIC ACID (CAS# 434-13-9); (M+NA)+ | 1.0850 | 1.0913 | 1.0509 | NA | 0.9586 | 0.9562 | 0.8810 | NA |
L-METHIONINE SULFOXIMINE (CAS# 15985-39-4); (M+NA)+ | NA | NA | NA | NA | NA | 1.0000 | NA | NA |
LOPERAMIDE (CAS# 34552-83-5); (M+H)+ | 1.4584 | NA | 0.5416 | NA | NA | NA | NA | NA |
L-ORNITHINE (CAS# 70-26-8); (M+H)+ | 0.4814 | NA | NA | NA | 2.8513 | 0.1858 | NA | NA |
L-TRYPTOPHAN-15N2 [ISTD] (CAS# ); (M+H)+ | 0.9738 | 1.1050 | 1.0380 | NA | 1.0189 | 0.8938 | 0.9853 | NA |
LUMICHROME (CAS# 1086-80-2); (M+NA)+ | 1.7265 | 2.0980 | NA | NA | 0.0859 | 0.8340 | 0.8072 | NA |
LYSINE (CAS# 56-87-1); (M+H)+ | 1.2289 | 0.7052 | 0.6412 | NA | 1.5357 | 0.9456 | 0.8931 | NA |
LYSINE (CAS# 56-87-1); (M+NA)+ | 0.8781 | 1.0159 | 0.6412 | NA | 1.5355 | 1.0039 | 0.9458 | NA |
MALATE (CAS# 636-61-3); (M+NA)+ | 1.2903 | NA | 0.8632 | NA | 0.9976 | NA | 0.5941 | NA |
MALEAMATE (CAS# 557-24-4); (M+H)+ | NA | NA | NA | NA | NA | 1.0000 | NA | NA |
MALTOSE (CAS# 69-79-4); (M+NA)+ | 0.3719 | 1.2405 | 1.7502 | NA | 0.4936 | NA | 1.2768 | NA |
MANNITOL (CAS# 69-65-8); (M+H)+ | NA | 1.4153 | NA | NA | NA | 0.7924 | NA | NA |
MANNITOL (CAS# 69-65-8); (M+NA)+ | 1.2470 | 1.2867 | 1.7592 | NA | 0.3960 | 0.3407 | 0.6133 | NA |
MELANIN (CAS# 8049-97-6); (M+H)+ | NA | 1.0000 | NA | NA | NA | NA | NA | NA |
MELIBIOSE (CAS# 585-99-9); (M+K)+ | 1.1148 | 1.5974 | 0.4904 | NA | NA | 1.1370 | 0.6603 | NA |
MELIBIOSE (CAS# 585-99-9); (M+NA)+ | 0.3721 | 1.2393 | 1.7509 | NA | 0.4938 | NA | 1.2773 | NA |
METHIONINE (CAS# 63-68-3); (M+H)+ | 1.0757 | 0.7310 | 0.7508 | NA | 1.8424 | 0.7533 | 0.6161 | NA |
METHYL BETA-D-GALACTOSIDE (CAS# 1824-94-8); (M+NA)+ | NA | 1.2697 | 0.9746 | NA | 1.0534 | NA | 0.7163 | NA |
METHYLGUANIDINE (CAS# 471-29-4); (M+H)+ | NA | NA | NA | NA | NA | 1.0000 | NA | NA |
METHYL INDOLE-3-ACETATE (CAS# 1912-33-0); (M+H)+ | NA | 0.5562 | NA | NA | NA | 1.1268 | NA | NA |
METHYL INDOLE-3-ACETATE (CAS# 1912-33-0); (M+NA)+ | 0.1876 | 1.0836 | 0.2581 | NA | 0.0764 | 1.3990 | NA | NA |
METHYL JASMONATE (CAS# 1211-29-6); (M+NA)+ | 1.0430 | 0.9090 | 1.0222 | NA | 0.9309 | 1.0441 | 1.0277 | NA |
METHYLMALONATE (CAS# 516-05-2); (M+NA)+ | 1.0030 | 0.7707 | 1.2494 | NA | 0.8995 | 1.0066 | 1.0343 | NA |
MEVALONIC ACID (CAS# 674-26-0); (M+NA)+ | NA | NA | 1.0242 | NA | 0.5991 | NA | 1.1175 | NA |
MONO-METHYL GLUTARATE (CAS# 1501-27-5); (M+NA)+ | NA | 1.8057 | 1.0695 | NA | NA | 0.7558 | 0.2996 | NA |
MYO-INOSITOL (CAS# 87-89-8); (M+NA)+ | 1.9420 | 0.5844 | 1.1129 | NA | 1.5862 | 0.3018 | 0.5132 | NA |
N1-ACETYLSPERMINE (CAS# 77928-70-2); (M+H)+ | NA | NA | NA | NA | NA | 0.9579 | 1.0842 | NA |
N6-(DELTA2-ISOPENTENYL)-ADENINE (CAS# 2365-40-4); (M+H)+ | NA | NA | NA | NA | NA | 1.1210 | 0.9395 | NA |
N-ACETYL-D-GLUCOSAMINE (CAS# 7512-17-6); (M+H)+ | NA | NA | 1.0000 | NA | NA | NA | NA | NA |
N-ACETYL-DL-GLUTAMIC ACID (CAS# 5817-08-3); (M+H)+ | NA | 0.0909 | 0.6118 | NA | NA | 1.3590 | 0.6137 | NA |
N-ACETYL-DL-GLUTAMIC ACID (CAS# 5817-08-3); (M+NA)+ | NA | NA | 1.8397 | NA | 0.0193 | NA | 1.1410 | NA |
N-ACETYL-DL-METHIONINE (CAS# 1115-47-5); (M+H)+ | 1.0778 | 0.8031 | 0.9725 | NA | 0.8740 | 1.2440 | 0.8670 | NA |
N-ACETYL-DL-METHIONINE (CAS# 1115-47-5); (M+H)+[-H2O] | 0.9619 | 0.8972 | 0.8445 | NA | 0.7511 | 1.2330 | 1.3480 | NA |
N-ACETYL-DL-METHIONINE (CAS# 1115-47-5); (M+NA)+ | 0.9787 | 0.8415 | 0.9013 | NA | 0.9475 | 1.3075 | 0.8798 | NA |
N-ACETYL-DL-SERINE (CAS# 97-14-3); (M+H)+ | 0.7124 | 1.2870 | 1.3212 | NA | 0.3190 | 1.5534 | 0.8471 | NA |
N-ACETYL-DL-SERINE (CAS# 97-14-3); (M+H)+[-H2O] | 0.8318 | 0.7278 | 0.6691 | NA | 1.2425 | 1.5275 | 0.9492 | NA |
N-ACETYL-DL-SERINE (CAS# 97-14-3); (M+NA)+ | 1.0657 | 1.4932 | 0.6219 | NA | 1.1491 | 1.1103 | 0.7324 | NA |
N-ACETYL-D-TRYPTOPHAN (CAS# 2280-01-5); (M+H)+ | NA | NA | NA | NA | 0.9631 | 1.0246 | 0.9385 | NA |
N-ACETYL-D-TRYPTOPHAN (CAS# 2280-01-5); (M+NA)+ | NA | NA | NA | NA | NA | 0.8333 | 1.2500 | NA |
N-ACETYLGALACTOSAMINE (CAS# 1811-31-0); (M+H)+ | NA | NA | 1.0000 | NA | NA | NA | NA | NA |
N-ACETYL-L-ALANINE (CAS# 97-69-8); (M+H)+ | NA | NA | NA | NA | NA | 1.0000 | NA | NA |
N-ACETYL-L-ALANINE (CAS# 97-69-8); (M+H)+[-H2O] | 0.5046 | 0.9521 | 0.9000 | NA | NA | 1.5655 | 0.4329 | NA |
N-ACETYL-L-ALANINE (CAS# 97-69-8); (M+NA)+ | 0.1809 | 2.2028 | NA | NA | 0.5150 | 1.5417 | 0.1500 | NA |
N-ACETYL-L-ASPARTIC ACID (CAS# 997-55-7); (M+H)+[-H2O] | NA | NA | 1.0000 | NA | NA | NA | NA | NA |
N-ACETYL-L-ASPARTIC ACID (CAS# 997-55-7); (M+NA)+ | NA | 1.1409 | NA | NA | NA | NA | 0.9296 | NA |
N-ACETYL-L-CYSTEINE (CAS# 616-91-1); (M+NA)+ | NA | NA | 1.0000 | NA | NA | NA | NA | NA |
N-ACETYL-L-LEUCINE (CAS# 1188-21-2); (M+H)+ | NA | 0.5335 | NA | NA | NA | 1.0836 | 1.1320 | NA |
N-ACETYL-L-LEUCINE (CAS# 1188-21-2); (M+NA)+ | 0.8376 | 0.5834 | 0.5362 | NA | 1.0070 | 1.7976 | 0.8602 | NA |
N-ACETYL-L-PHENYLALANINE (CAS# 2018-61-3); (M+NA)+ | NA | 1.0000 | NA | NA | NA | NA | NA | NA |
N-ACETYLNEURAMINATE (CAS# 131-48-6); (M+H)+ | NA | 0.6012 | 1.1275 | NA | 2.2339 | 0.4967 | NA | NA |
N-ACETYLNEURAMINATE (CAS# 131-48-6); (M+NA)+ | 0.3849 | 1.1263 | 1.6671 | NA | 0.8560 | 0.4804 | 0.8534 | NA |
N-ACETYLSEROTONIN (CAS# 1210-83-9); (2M+H)+ | NA | NA | NA | NA | NA | 1.0000 | NA | NA |
NAD (CAS# 53-84-9); (M+H)+ | 0.9599 | NA | NA | NA | NA | NA | 1.0401 | NA |
N-ALPHA-ACETYL-L-ASPARAGINE (CAS# 4033-40-3); (M+H)+ | NA | 1.0000 | NA | NA | NA | NA | NA | NA |
N-ALPHA-ACETYL-L-LYSINE (CAS# 1946-82-3); (M+H)+ | 0.7056 | 0.1226 | 0.1739 | NA | 2.3326 | 0.1422 | 1.6751 | NA |
NAPROXEN (CAS# 22204-53-1); (M+H)+ | NA | 1.5772 | NA | NA | NA | 0.4228 | NA | NA |
NAPROXEN (CAS# 22204-53-1); (M+NA)+ | NA | 1.0000 | NA | NA | NA | NA | NA | NA |
N-BOC-D-GLUCOSAMINE (CAS# 75251-80-8); (2M+NA)+ | 1.2933 | NA | NA | NA | 0.7067 | NA | NA | NA |
N-BOC-D-GLUCOSAMINE (CAS# 75251-80-8); (M+NA)+ | NA | NA | NA | NA | NA | 1.0000 | NA | NA |
N-CYCLOHEXYLFORMAMIDE (CAS# 766-93-8); (M+NA)+ | 1.0627 | NA | 0.5331 | NA | NA | 1.4042 | NA | NA |
NICOTINAMIDE (CAS# 98-92-0); (M+H)+ | 1.1599 | 0.9705 | 0.3295 | NA | 1.4162 | 0.0159 | 0.7489 | NA |
NICOTINAMIDE MONONUCLEOTIDE (CAS# 1094-61-7); (M+NA)+ | NA | NA | NA | NA | NA | NA | 1.0000 | NA |
NICOTINATE (CAS# 59-67-6); (M+H)+ | 0.2879 | 1.8378 | 0.8665 | NA | 0.7953 | 1.3909 | 0.8087 | NA |
NICOTINE (CAS# 54-11-5); (M+H)+ | NA | NA | NA | NA | 1.0000 | NA | NA | NA |
N-METHYL-D-ASPARTIC ACID (CAS# 6384-92-5); (M+H)+ | 1.2276 | 1.1538 | 1.2308 | NA | 0.3323 | 1.4644 | 0.5004 | NA |
N-METHYL-D-ASPARTIC ACID (CAS# 6384-92-5); (M+NA)+ | 1.0245 | 1.4097 | 0.7446 | NA | 1.4736 | 0.9002 | 0.8168 | NA |
N-METHYL-L-GLUTAMATE (CAS# 6753-62-4); (M+NA)+[-H2O] | NA | NA | 1.0000 | NA | NA | NA | NA | NA |
N-METHYLNICOTINATE (CAS# 535-83-1); (M+H)+ | 0.4589 | 0.3107 | 1.1056 | NA | 1.4765 | 1.4670 | 0.6749 | NA |
N-METHYLTRYPTAMINE (CAS# 61-49-4); (M+NA)+ | 1.0000 | NA | NA | NA | NA | NA | NA | NA |
N-NITROSODIETHANOLAMINE (CAS# 1116-54-7); (M+NA)+ | NA | 1.6417 | NA | NA | NA | 0.3583 | NA | NA |
N-OLEOYLGLYCINE (CAS# 2601-90-3); (M+NA)+ | 1.0000 | NA | NA | NA | NA | NA | NA | NA |
NONANOATE (CAS# 112-05-0); (M+NA)+ | NA | NA | NA | NA | NA | 1.0000 | NA | NA |
NORADRENALINE (CAS# 51-41-2); (M+H)+[-H2O] | NA | 1.3357 | 0.6643 | NA | NA | NA | NA | NA |
NORLEUCINE (CAS# 327-57-1); (M+H)+ | 1.1057 | 0.8039 | 1.0889 | NA | 0.8105 | 1.2309 | 0.9507 | NA |
NORMETANEPHRINE (CAS# 0); (M+H)+ | NA | NA | NA | NA | NA | 1.0000 | NA | NA |
NORMETANEPHRINE (CAS# 0); (M+H)+[-H2O] | 1.1840 | 0.6814 | 1.0610 | NA | 1.1086 | 1.0254 | 0.9315 | NA |
NORVALINE (CAS# 6600-40-4); M+[-CO2H] | 1.1839 | 0.5883 | 0.9659 | NA | 1.1976 | 1.0378 | 0.9974 | NA |
NORVALINE (CAS# 6600-40-4); (M+H)+ | 1.2304 | 0.6949 | 0.9941 | NA | 1.2493 | 1.0736 | 0.7190 | NA |
O-ACETYLCARNITINE (CAS# 461-77-8); (M+H)+ | 0.9761 | 1.2177 | 0.9433 | NA | 0.9001 | 0.9461 | 1.0100 | NA |
OLEIC ACID (CAS# 112-80-1); (M+H)+ | 1.1207 | 1.0515 | 1.7231 | NA | 0.8135 | 1.0234 | 0.7469 | NA |
OLEIC ACID (CAS# 112-80-1); (M+NA)+ | 0.8829 | 0.9948 | 0.7506 | NA | 0.9692 | 1.3155 | 1.0458 | NA |
OMEGA-HYDROXYDODECANOIC ACID (CAS# 505-95-3); (M+H)+ | NA | 1.0000 | NA | NA | NA | NA | NA | NA |
OPHTHALMIC ACID (CAS# 495-27-2); (M+H)+ | 1.0373 | 1.0241 | 0.8739 | NA | 1.0572 | 0.4576 | 1.2177 | NA |
OROTATE (CAS# 65-86-1); (M+H)+ | NA | NA | 1.0000 | NA | NA | NA | NA | NA |
O-SUCCINYL-L-HOMOSERINE (CAS# 1492-23-5); (M+H)+ | 1.0000 | NA | NA | NA | NA | NA | NA | NA |
OXIDIZED GLUTATHIONE (CAS# 27025-41-8); (M+2H)+2 | 1.3692 | 1.6451 | NA | NA | 0.3506 | NA | 1.2421 | NA |
OXIDIZED GLUTATHIONE (CAS# 27025-41-8); (M+H)+ | 1.3943 | 0.9751 | NA | NA | 0.4098 | NA | 0.7522 | NA |
PALATINOSE (CAS# 343336-76-5); (M+NA)+ | 0.3758 | 1.2499 | 1.7142 | NA | 0.4980 | NA | 1.2882 | NA |
PALMITOYLCARNITINE (CAS# 2364-67-2); (M+H)+ | 1.3977 | 0.8014 | 1.6103 | NA | 0.6757 | 0.6217 | 0.7961 | NA |
PALMITOYLCARNITINE (CAS# 2364-67-2); (M+NA)+ | 1.4310 | 0.5744 | 1.5634 | NA | 0.5251 | 0.6218 | 0.7734 | NA |
PANTOTHENATE (CAS# 79-83-4); (M+H)+ | 1.1917 | 0.8923 | 0.9258 | NA | 0.5744 | 1.2036 | 1.2077 | NA |
PANTOTHENATE (CAS# 79-83-4); (M+NA)+ | 1.1355 | 0.6668 | 1.2688 | NA | 0.5378 | 1.0558 | 1.3342 | NA |
PARAXANTHINE (CAS# 611-59-6); (M+NA)+ | 1.1901 | 0.2514 | 0.5782 | NA | 1.3390 | NA | 1.4266 | NA |
PENICILLAMINE (CAS# 52-67-5); (2M+H)+[-H2] | NA | 1.0000 | NA | NA | NA | NA | NA | NA |
PHENYL ACETATE (CAS# 122-79-2); (M+H)+ | 0.2675 | 0.6859 | 0.7410 | NA | NA | 1.4554 | 0.5546 | NA |
PHENYLACETIC ACID (CAS# 103-82-2); (M+H)+ | 0.1732 | 0.6817 | 0.7521 | NA | NA | 1.4806 | 0.5518 | NA |
PHENYLALANINE (CAS# 63-91-2); (M+H)+ | 1.1839 | 0.6814 | 1.0610 | NA | 1.1086 | 1.0255 | 0.9315 | NA |
PHENYLALANINE (CAS# 63-91-2); (M+NA)+ | 1.0610 | 0.8648 | 0.9825 | NA | 1.2335 | 0.8911 | 0.9639 | NA |
PHENYLETHANOLAMINE (CAS# 7568-93-6); (M+H)+ | NA | NA | 1.0000 | NA | NA | NA | NA | NA |
PHTHALATE (CAS# 88-99-3); (M+NA)+ | 1.3067 | 0.6639 | 0.5289 | NA | NA | NA | 1.8367 | NA |
PICOLINIC ACID (CAS# 98-98-6); (M+H)+ | 0.2885 | 1.8319 | 0.8652 | NA | 0.7936 | 1.3898 | 0.8167 | NA |
PINITOL (CAS# 10284-63-6); (M+NA)+ | NA | 1.2697 | 0.9746 | NA | 1.0534 | NA | 0.7163 | NA |
PIPECOLATE (CAS# 535-75-1); (M+H)+ | 1.7816 | 0.4512 | 0.8436 | NA | 1.5807 | 0.6485 | 1.1201 | NA |
PIPECOLATE (CAS# 535-75-1); (M+NA)+ | 0.7656 | 0.7681 | NA | NA | NA | 1.3522 | 0.7017 | NA |
PORPHOBILINOGEN (CAS# 487-90-1); (M+NA)+ | 0.6724 | NA | NA | NA | 1.3276 | NA | NA | NA |
PROCOLLAGEN 5-HYDROXY-L-LYSINE (CAS# 1190-94-9); (M+H)+ | 0.4381 | 0.5268 | 1.7927 | NA | NA | 1.3206 | 0.6012 | NA |
PROGESTERONE (CAS# 57-83-0); (M+H)+ | 0.6780 | 0.8778 | 1.2682 | NA | 2.2891 | 0.4403 | 1.2597 | NA |
PROLINE (CAS# 147-85-3); (M+H)+ | 1.1268 | 0.8225 | 1.0566 | NA | 1.2013 | 0.7916 | 0.9588 | NA |
PROLINE (CAS# 147-85-3); (M+NA)+ | 1.0468 | 0.6052 | 1.3009 | NA | 1.0238 | NA | 0.8893 | NA |
PROSTAGLANDIN E2 (CAS# 363-24-6); (M+H)+ | 0.9698 | 1.4851 | 0.5833 | NA | 0.9865 | 1.4218 | 0.7368 | NA |
PROSTAGLANDIN E2 (CAS# 363-24-6); (M+H)+[-H2O] | NA | 0.9391 | NA | NA | NA | 1.0203 | NA | NA |
PROSTAGLANDIN E2 (CAS# 363-24-6); (M+NA)+ | NA | 1.1896 | 0.8304 | NA | NA | 1.0071 | 0.9373 | NA |
PROTOPORPHYRIN (CAS# 553-12-8); (M+H)+ | 2.5219 | 1.0614 | 0.5168 | NA | 0.4593 | 1.3598 | 0.4153 | NA |
PURINE (CAS# 120-73-0); (M+NA)+ | 1.5765 | NA | 1.4360 | NA | 0.4704 | NA | NA | NA |
PUTRESCINE (CAS# 110-60-1); (M+H)+ | NA | NA | NA | NA | NA | 1.0000 | NA | NA |
PYRIDOXAL (CAS# 66-72-8); (M+H)+ | NA | 2.2078 | NA | NA | NA | 0.3961 | NA | NA |
PYRIDOXAL (CAS# 66-72-8); (M+H)+[-H2O] | 1.1414 | 0.9231 | 0.9534 | NA | 0.6710 | 1.0860 | 1.0489 | NA |
PYRIDOXAMINE (CAS# 85-87-0); (M+H)+ | NA | NA | NA | NA | NA | 1.0000 | NA | NA |
PYRIDOXINE (CAS# 65-23-6); (M+H)+ | 3.2195 | 1.2829 | 0.6852 | NA | 0.6415 | NA | 0.6013 | NA |
QUINATE (CAS# 77-95-2); (M+NA)+ | NA | NA | NA | NA | NA | NA | 1.0000 | NA |
QUINOLIN-2-OL (CAS# 59-31-4); (M+H)+ | NA | 1.2086 | NA | NA | 0.7028 | 1.1546 | 0.5806 | NA |
QUINOLIN-2-OL (CAS# 59-31-4); (M+NA)+ | NA | 1.0446 | 0.4111 | NA | 1.1208 | 1.2940 | 0.6537 | NA |
RAC-GLYCEROL 1-MYRISTATE (CAS# 75685-84-6); (M+H)+[-H2O] | NA | NA | NA | NA | NA | 1.0000 | NA | NA |
RAC-GLYCEROL 1-MYRISTATE (CAS# 75685-84-6); (M+NA)+ | 0.7438 | 1.0737 | 0.7960 | NA | 0.8211 | 1.6546 | 0.8514 | NA |
RAFFINOSE (CAS# 512-69-6); (M+K)+ | 1.3850 | 0.1991 | 0.9478 | NA | NA | 0.9148 | 1.2627 | NA |
RAFFINOSE (CAS# 512-69-6); (M+NA)+ | 0.5754 | 1.7882 | 1.1360 | NA | 0.3698 | 1.0093 | 1.1177 | NA |
RETINOATE (CAS# 302-79-4); (M+H)+ | NA | NA | 1.0000 | NA | NA | NA | NA | NA |
RIBITOL (CAS# 488-81-3); (M+NA)+ | NA | 1.7852 | 0.3613 | NA | NA | 0.5934 | 0.9407 | NA |
RIBOFLAVIN (CAS# 83-88-5); (M+H)+ | 1.4463 | 1.2621 | 1.2411 | NA | 0.6177 | 0.3026 | 0.6583 | NA |
RIBOFLAVIN (CAS# 83-88-5); (M+NA)+ | 1.0823 | 1.3817 | 1.0955 | NA | 0.7361 | 0.6662 | 1.0407 | NA |
RIBOSE (CAS# 50-69-1); (M+NA)+ | 0.9590 | 0.9985 | 1.0857 | NA | 1.5063 | 0.5790 | 0.5466 | NA |
(S)-2-AMINO-3-(3-HYDOXY-4-OXO-4H-PYRIDIN-1-YL)PROPANOATE OR L-MIMOSINE (CAS# 500-44-7); (M+H)+ | 1.2140 | 0.9459 | 0.4918 | NA | 1.9564 | 0.4654 | 0.6390 | NA |
(S)-2-AMINO-3-(3-HYDOXY-4-OXO-4H-PYRIDIN-1-YL)PROPANOATE OR L-MIMOSINE (CAS# 500-44-7); (M+NA)+ | NA | NA | 1.0000 | NA | NA | NA | NA | NA |
S-ADENOSYL-L-HOMOCYSTEINE (CAS# 979-92-0); (M+H)+ | 1.7043 | 1.0444 | NA | NA | 0.0949 | NA | 0.7261 | NA |
S-ADENOSYLMETHIONINE (CAS# 29908-03-0); (M+H)+ | 1.1242 | 0.6277 | 1.6408 | NA | 0.6901 | NA | NA | NA |
SALICYLURIC ACID (CAS# 487-54-7); (M+NA)+ | NA | 1.4929 | NA | NA | NA | 1.0631 | 0.6274 | NA |
SARCOSINE (CAS# 107-97-1); (M+H)+ | 1.1824 | 0.9966 | 0.7029 | NA | 1.6818 | 0.3332 | 0.9462 | NA |
SELENOCYSTAMINE (CAS# 2697-61-2); (M+H)+ | 0.6221 | 0.8417 | 1.2802 | NA | 0.4563 | 1.5195 | NA | NA |
SERINE (CAS# 56-45-1); (M+H)+ | 1.6793 | 1.0664 | 0.7005 | NA | 1.1904 | 0.6677 | 0.7187 | NA |
SHIKIMATE (CAS# 138-59-0); (M+H)+[-H2O] | NA | NA | 1.0000 | NA | NA | NA | NA | NA |
SN-GLYCERO-3-PHOSPHOCHOLINE (CAS# 28319-77-9); (M+H)+ | 2.7913 | 0.1119 | 0.3439 | NA | 1.1405 | 0.0459 | 0.1441 | NA |
SPERMIDINE (CAS# 124-20-9); (M+H)+ | 0.5948 | 0.5818 | 1.2791 | NA | 0.6309 | 1.8809 | 0.9720 | NA |
SPERMIDINE (CAS# 124-20-9); (M+NA)+ | 0.9194 | 0.8109 | 1.1708 | NA | 0.5710 | 1.5365 | 1.0482 | NA |
SPERMINE (CAS# 71-44-3); (M+H)+ | 1.7512 | 1.9797 | NA | NA | 0.7805 | 0.0590 | 0.2299 | NA |
SPHINGANINE (CAS# 764-22-7); (M+H)+ | 1.0064 | 0.8773 | 0.8042 | NA | 0.5409 | 1.6582 | 0.2647 | NA |
SPHINGANINE (CAS# 764-22-7); (M+NA)+ | NA | 0.9921 | NA | NA | NA | 1.0020 | NA | NA |
SPHINGOSINE (CAS# 123-78-4); (M+H)+ | 0.7949 | NA | 1.0088 | NA | NA | 1.1321 | 1.1050 | NA |
STACHYOSE (CAS# 54261-98-2); (M+K)+ | 1.1790 | 1.6756 | 1.1273 | NA | 0.3355 | 0.8282 | 0.9068 | NA |
STACHYOSE (CAS# 54261-98-2); (M+NA)+ | 1.0921 | 1.4710 | 0.9135 | NA | 0.3113 | 1.3185 | 0.8954 | NA |
SUBERIC ACID (CAS# 505-48-6); (M+H)+[-H2O] | NA | NA | NA | NA | NA | 1.0000 | NA | NA |
SUBERIC ACID (CAS# 505-48-6); (M+NA)+ | 0.3966 | 1.1753 | 0.9221 | NA | 0.3724 | 1.7267 | 0.8945 | NA |
SUCROSE (CAS# 57-50-1); (M+NA)+ | 0.3758 | 1.2499 | 1.7142 | NA | 0.4980 | NA | 1.2882 | NA |
TAURINE (CAS# 107-35-7); (M+H)+ | 1.1921 | 2.1520 | 2.1890 | NA | 0.4722 | 1.2321 | 0.4201 | NA |
TAURINE (CAS# 107-35-7); (M+K)+ | 0.1823 | 1.0579 | 0.9742 | NA | 1.0421 | 1.1548 | 1.1788 | NA |
TAURINE (CAS# 107-35-7); (M+NA)+ | 1.1111 | 1.8407 | 1.1475 | NA | 0.4163 | 0.6230 | 0.9225 | NA |
TAUROCHENODEOXYCHOLATE (CAS# 516-35-8); (M+H)+[-H2O] | 1.1226 | NA | 1.2624 | NA | 0.5679 | NA | 0.9545 | NA |
TAUROCHENODEOXYCHOLATE (CAS# 516-35-8); (M+NA)+ | 0.9708 | 0.1736 | 1.2118 | NA | 1.5317 | 0.0800 | 0.8090 | NA |
TAUROCHOLATE (CAS# 81-24-3); (M+H)+[-H2O] | 1.1543 | NA | 1.2952 | NA | 0.1981 | NA | 0.6078 | NA |
TAUROCHOLATE (CAS# 81-24-3); (M+NA)+ | 1.8067 | 0.2639 | 1.6203 | NA | 0.5667 | 0.1361 | 0.4313 | NA |
TAUROLITHOCHOLATE (CAS# 516-90-5); (M+H)+[-H2O] | NA | 0.7898 | 1.2102 | NA | NA | NA | NA | NA |
TAUROLITHOCHOLATE (CAS# 516-90-5); (M+NA)+ | NA | NA | 1.0000 | NA | NA | NA | NA | NA |
THEOBROMINE (CAS# 83-67-0); (M+H)+ | NA | 1.6266 | NA | NA | NA | 0.6867 | NA | NA |
THEOBROMINE (CAS# 83-67-0); (M+NA)+ | 0.9401 | NA | 0.5153 | NA | 1.5596 | NA | 0.5153 | NA |
THEOPHYLLINE (CAS# 58-55-9); (M+NA)+ | 1.3132 | 0.2508 | 0.5903 | NA | 1.0745 | NA | 1.4276 | NA |
THIAMIN (CAS# 59-43-8); M+ | 0.3975 | 1.4098 | 0.5608 | NA | 0.4625 | 1.5613 | 1.2375 | NA |
THIAMIN (CAS# 59-43-8); M+[-C6H9NOS] | 0.8577 | 1.6239 | 1.0963 | NA | 0.3534 | 1.0429 | 1.0033 | NA |
THREONINE (CAS# 72-19-5); (M+H)+[-H2O] | 1.0432 | 0.7582 | 0.9340 | NA | 1.4002 | 1.0322 | 0.6421 | NA |
THROMBOXANE B2 (CAS# 54397-85-2); (M+H)+ | NA | 0.3987 | 0.6780 | NA | NA | 1.4807 | 1.4427 | NA |
THROMBOXANE B2 (CAS# 54397-85-2); (M+H)+[-H2O] | 0.9698 | 1.4851 | 0.5833 | NA | 0.9865 | 1.4218 | 0.7368 | NA |
THYMIDINE 5^-MONOPHOSPHATE (CAS# 365-07-1); (M+H)+ | NA | NA | NA | NA | NA | NA | 1.0000 | NA |
THYMIDINE 5^-MONOPHOSPHATE (CAS# 365-07-1); (M+NA)+ | NA | 1.1696 | 1.0327 | NA | NA | NA | 0.8825 | NA |
THYMIDINE (CAS# 50-89-5); (M+NA)+ | 0.2575 | 0.9801 | 1.1253 | NA | 0.4656 | 1.6154 | 1.4028 | NA |
THYMINE (CAS# 65-71-4); (M+H)+ | NA | 0.5701 | 1.1642 | NA | 0.5567 | 1.3784 | 1.1065 | NA |
THYROTROPIN RELEASING HORMONE (CAS# 24305-27-9); (M+H)+ | 1.3599 | NA | 0.5764 | NA | 1.5569 | 0.3123 | 0.2938 | NA |
THYROTROPIN RELEASING HORMONE (CAS# 24305-27-9); (M+NA)+ | NA | NA | NA | NA | NA | 1.0000 | NA | NA |
THYROXINE (CAS# 51-48-9); (M+H)+ | NA | NA | 1.0000 | NA | NA | NA | NA | NA |
TRANS-3^-HYDROXYCOTININE (CAS# 34834-67-8); (M+NA)+ | NA | NA | NA | NA | NA | 1.0000 | NA | NA |
TRICARBALLYLIC ACID (CAS# 99-14-9); (M+H)+[-H2O] | 1.3942 | 2.2380 | 0.1683 | NA | 0.1980 | 0.6281 | 0.8403 | NA |
TRIMETHYLAMINE (CAS# 75-50-3); (M+H)+ | 1.0308 | 1.0494 | 0.9198 | NA | NA | NA | NA | NA |
TRYPTOPHAN (CAS# 73-22-3); (M+H)+ | 1.1130 | 0.7630 | 1.0016 | NA | 1.0563 | 1.0303 | 0.9681 | NA |
TRYPTOPHAN (CAS# 73-22-3); (M+NA)+ | 0.9206 | 0.8417 | 1.0789 | NA | 0.9402 | 1.1389 | 1.0129 | NA |
TYRAMINE (CAS# 51-67-2); (M+H)+ | 1.3442 | NA | 1.2677 | NA | NA | NA | 0.2989 | NA |
TYROSINE (CAS# 60-18-4); (M+H)+ | 1.2506 | 0.6351 | 0.9905 | NA | 1.1396 | 1.0522 | 0.9182 | NA |
TYROSINE (CAS# 60-18-4); (M+NA)+ | 1.1275 | 0.8846 | 0.9494 | NA | 1.2442 | 0.8464 | 0.9308 | NA |
URACIL 5-CARBOXYLATE (CAS# 23945-44-0); (M+H)+ | NA | NA | 1.0000 | NA | NA | NA | NA | NA |
URACIL (CAS# 66-22-8); (M+H)+ | 0.5401 | 1.1565 | 0.5825 | NA | 2.2771 | 1.3735 | 0.3956 | NA |
URATE (CAS# 69-93-2); (M+H)+ | 1.1251 | 0.4711 | 0.6785 | NA | 1.4164 | 1.0878 | 0.9784 | NA |
URATE (CAS# 69-93-2); (M+NA)+ | NA | NA | 0.3221 | NA | 2.0829 | 0.2861 | 0.9398 | NA |
URIDINE-5-MONOPHOSPHATE (CAS# 58-97-9); (M+NA)+ | 1.1459 | 1.4261 | NA | NA | 0.4380 | 0.4506 | 0.9107 | NA |
URIDINE (CAS# 58-96-8); (M+H)+ | 1.6000 | 0.4755 | NA | NA | 1.1734 | 0.2265 | 0.6915 | NA |
URIDINE (CAS# 58-96-8); (M+NA)+ | 1.2576 | 0.8132 | 0.8380 | NA | 1.2331 | 0.9478 | 0.7927 | NA |
UROCANATE (CAS# 104-98-3); (M+H)+ | NA | 0.6088 | 0.3547 | NA | 0.6606 | 3.4596 | 0.3977 | NA |
URSODIOL (CAS# 128-13-2); (M+H)+[-H2O] | 1.0952 | 1.2010 | 1.1868 | NA | 0.5479 | 0.7517 | 0.5547 | NA |
URSODIOL (CAS# 128-13-2); (M+NA)+ | 1.2848 | 1.0836 | 2.4184 | NA | 0.3909 | 0.5067 | 0.5141 | NA |
VALINE (CAS# 72-18-4); (M+H)+ | 1.2325 | 0.6963 | 0.9961 | NA | 1.2518 | 1.0757 | 0.7079 | NA |
VALINE (CAS# 72-18-4); (M+NA)+ | 0.7540 | 0.8189 | 0.8546 | NA | 1.1464 | 1.3598 | 1.2011 | NA |
VITAMIN B12 (CAS# 68-19-9); (M+2H)+2 | 0.4016 | NA | NA | NA | 1.2992 | NA | NA | NA |
XANTHINE (CAS# 69-89-6); (M+H)+ | 0.5591 | 1.1576 | 1.1885 | NA | 0.4063 | 1.4319 | 0.9532 | NA |
XANTHOSINE (CAS# 146-80-5); (M+H)+ | NA | 1.0000 | NA | NA | NA | NA | NA | NA |
XANTHOSINE (CAS# 146-80-5); (M+NA)+ | NA | 0.3606 | NA | NA | 0.3234 | 3.6319 | NA | NA |
XANTHURENIC ACID (CAS# 59-00-7); (M+H)+ | 0.9304 | 0.7592 | 0.7189 | NA | 1.3621 | 1.5304 | 1.0468 | NA |
XANTHURENIC ACID (CAS# 59-00-7); (M+NA)+ | NA | NA | NA | NA | 1.0000 | NA | NA | NA |
ZEATIN [ISTD] (CAS# 13114-27-7); (M+H)+ | 0.9619 | 1.0936 | 1.0781 | NA | 0.9838 | 0.8835 | 1.0139 | NA |
Factors:
F1 | Genotype:FLOX | Intestinal Segment:Duodenum |
F2 | Genotype:FLOX | Intestinal Segment:Illeum |
F3 | Genotype:FLOX | Intestinal Segment:Jejunum |
F4 | Genotype:- | Intestinal Segment:- |
F5 | Genotype:Knockout | Intestinal Segment:Duodenum |
F6 | Genotype:Knockout | Intestinal Segment:Illeum |
F7 | Genotype:Knockout | Intestinal Segment:Jejunum |
F8 | Genotype:Pooled flushing | Intestinal Segment:Pooled flushing |