Metabolite_name RefMet_name S00014835 S00014845 S00014839 S00014849 S00014831 S00014825 S00014827 S00014837 S00014847 S00014821 S00014823 S00014819 S00014829 S00014843 S00014853 S00014833 S00014841 S00014851 S00014855 S00014856 S00014857 S00014836 S00014846 S00014840 S00014850 S00014832 S00014826 S00014828 S00014838 S00014848 S00014822 S00014824 S00014820 S00014830 S00014844 S00014854 S00014834 S00014842 S00014852 Factors - Fraction:Cells | Growth media:NOS with TPP | Growth phase:Early log phase | Sample type:Cells, Cultured | species:denticola Fraction:Cells | Growth media:NOS with TPP | Growth phase:Early log phase | Sample type:Cells, Cultured | species:denticola Fraction:Cells | Growth media:NOS with TPP | Growth phase:Late log phase | Sample type:Cells, Cultured | species:denticola Fraction:Cells | Growth media:NOS with TPP | Growth phase:Late log phase | Sample type:Cells, Cultured | species:denticola Fraction:Cells | Growth media:NOS with TPP | Growth phase:Late log phase | Sample type:Cells, Cultured | species:medium Fraction:Cells | Growth media:NOS with TPP | Growth phase:Late log phase | Sample type:Cells, Cultured | species:phagedenis Fraction:Cells | Growth media:NOS with TPP | Growth phase:Late log phase | Sample type:Cells, Cultured | species:vincentii Fraction:Cells | Growth media:NOS with TPP | Growth phase:Mid log phase | Sample type:Cells, Cultured | species:denticola Fraction:Cells | Growth media:NOS with TPP | Growth phase:Mid log phase | Sample type:Cells, Cultured | species:denticola Fraction:Cells | Growth media:OMIZ | Growth phase:Late log phase | Sample type:Cells, Cultured | species:maltophilum Fraction:Cells | Growth media:OMIZ | Growth phase:Late log phase | Sample type:Cells, Cultured | species:parvum Fraction:Cells | Growth media:OMIZ | Growth phase:Late log phase | Sample type:Cells, Cultured | species:pectinovorum Fraction:Cells | Growth media:OMIZ | Growth phase:Late log phase | Sample type:Cells, Cultured | species:vincentii Fraction:Cells | Growth media:OMIZ with TPP | Growth phase:Late log phase | Sample type:Cells, Cultured | species:denticola Fraction:Cells | Growth media:OMIZ with TPP | Growth phase:Late log phase | Sample type:Cells, Cultured | species:denticola Fraction:Cells | Growth media:OMIZ with TPP | Growth phase:Late log phase | Sample type:Cells, Cultured | species:medium Fraction:Cells | Growth media:OMIZ with TPP | Growth phase:Mid log phase | Sample type:Cells, Cultured | species:denticola Fraction:Cells | Growth media:OMIZ with TPP | Growth phase:Mid log phase | Sample type:Cells, Cultured | species:denticola Fraction:Control media | Growth media:NOS + TPP | Growth phase:control media | Sample type:Culture | species:none Fraction:Control media | Growth media:OMIZ | Growth phase:control media | Sample type:Culture | species:none Fraction:Control media | Growth media:OMIZ + TPP | Growth phase:control media | Sample type:Culture | species:none Fraction:Supernatant | Growth media:NOS with TPP | Growth phase:Early log phase | Sample type:Culture Media | species:denticola Fraction:Supernatant | Growth media:NOS with TPP | Growth phase:Early log phase | Sample type:Culture Media | species:denticola Fraction:Supernatant | Growth media:NOS with TPP | Growth phase:Late log phase | Sample type:Culture Media | species:denticola Fraction:Supernatant | Growth media:NOS with TPP | Growth phase:Late log phase | Sample type:Culture Media | species:denticola Fraction:Supernatant | Growth media:NOS with TPP | Growth phase:Late log phase | Sample type:Culture Media | species:medium Fraction:Supernatant | Growth media:NOS with TPP | Growth phase:Late log phase | Sample type:Culture Media | species:phagedenis Fraction:Supernatant | Growth media:NOS with TPP | Growth phase:Late log phase | Sample type:Culture Media | species:vincentii Fraction:Supernatant | Growth media:NOS with TPP | Growth phase:Mid log phase | Sample type:Culture Media | species:denticola Fraction:Supernatant | Growth media:NOS with TPP | Growth phase:Mid log phase | Sample type:Culture Media | species:denticola Fraction:Supernatant | Growth media:OMIZ | Growth phase:Late log phase | Sample type:Culture Media | species:maltophilum Fraction:Supernatant | Growth media:OMIZ | Growth phase:Late log phase | Sample type:Culture Media | species:parvum Fraction:Supernatant | Growth media:OMIZ | Growth phase:Late log phase | Sample type:Culture Media | species:pectinovorum Fraction:Supernatant | Growth media:OMIZ | Growth phase:Late log phase | Sample type:Culture Media | species:vincentii Fraction:Supernatant | Growth media:OMIZ with TPP | Growth phase:Late log phase | Sample type:Culture Media | species:denticola Fraction:Supernatant | Growth media:OMIZ with TPP | Growth phase:Late log phase | Sample type:Culture Media | species:denticola Fraction:Supernatant | Growth media:OMIZ with TPP | Growth phase:Late log phase | Sample type:Culture Media | species:medium Fraction:Supernatant | Growth media:OMIZ with TPP | Growth phase:Mid log phase | Sample type:Culture Media | species:denticola Fraction:Supernatant | Growth media:OMIZ with TPP | Growth phase:Mid log phase | Sample type:Culture Media | species:denticola 10-HYDROXYDECANOATE (CAS# 1679-53-4); (M+H)+[-H2O] 10-Hydroxydecanoic acid 1047 10-HYDROXYDECANOATE (CAS# 1679-53-4); (M+NA)+ 10-Hydroxydecanoic acid 29799 8971 10041 11317 7891 11-DEOXYCORTICOSTERONE (CAS# 64-85-7); (M+NA)+ 11-Deoxycorticosterone 1265 1413 1-(4-HYDROXYPHENYL)-2-AMINOETHANOL (CAS# 104-14-3); (M+H)+[-H2O] 63017 2785801 125966 174063 231391 1689462 37819 1-(5^-PHOSPHORIBOSYL)-5-AMINO-4-IMIDAZOLECARBOXAMIDE (CAS# 3031-94-5); (M+H)+ AICAR 2633 1406 1312 16:0-18:0 PC (CAS# 59403-51-9); (M+H)+ PC 16:0_18:0 10111 144941 108586 369355 16:0-18:0 PC (CAS# 59403-51-9); (M+NA)+ PC 16:0_18:0 169275 909691 430445 74160 374083 1097397 745833 499402 4559330 21014 112447 24667 264080 241315 1971976 175668 1271416 1461138 10354 47773 53387 51622 193126 53428 151094 38409 66171 24176 253501 210023 5558 19326 42831 47347 46790 3545 77186 16:0 LYSO PC (CAS# 17364-16-8); (M+H)+ LPC 16:0 261429 807154 485475 53554 2590829 850463 5384926 2368706 233885 8913 172760 1180547 1192153 2220845 883754 1368807 1949631 93869 708739 86931 6766 26809 16793 9864 10763 137685 40533 43220 54055 9544 18191 14975 60043 16604 4974 15244 6405 16:0 LYSO PC (CAS# 17364-16-8); (M+NA)+ LPC 16:0 1712668 4622389 401354 466673 696877 4667147 1680385 11100000 1559202 117812 1548619 94567 293006 8031201 13000000 423017 646864 10600000 1101082 5142797 1053807 126013 339740 80334 127840 136866 1549277 205088 122927 156732 303325 133927 56476 51752 157464 71223 64991 244281 86707 17ALPHA-HYDROXYPROGESTERONE (CAS# 68-96-2); (M+NA)+ 17alpha-Hydroxyprogesterone 1509 17BETA-HYDROXYANDROSTAN-3-ONE (CAS# 521-18-6); (M+NA)+ 5alpha-Dihydrotesosterone 1230 18:0 LYSO-PE (CAS# 69747-55-3); (2M+NA)+ LPE 18:0 2860 2317 1157 18:0 LYSO-PE (CAS# 69747-55-3); (M+H)+ LPE 18:0 77964 103831 28829 113919 3846 81181 21063 14340 14852 13390 17355 18:0 LYSO-PE (CAS# 69747-55-3); (M+NA)+ LPE 18:0 7486 1-AMINOCYCLOPROPANE-1-CARBOXYLATE (CAS# 22059-21-8); (M+H)+ 1-Aminocyclopropanecarboxylic acid 108157 76791 110224 130120 22475 21730 53330 16334 32018 3865 12444 52230 53179 25973 23386 1-METHYLADENOSINE (CAS# 15763-06-1); (M+H)+ 1-Methyladenosine 177439 237750 145469 239786 132688 89597 497524 198345 19026 152791 102011 1024804 1-METHYLNICOTINAMIDE (CAS# ); M+ 1-Methyl nicotinamide 71495 139065 86349 1506 55686 63824 131392 2911 25507 69726 1472 1-OLEOYL-RAC-GLYCEROL (CAS# 111-03-5); (M+H)+[-H2O] MG 18:1 63106 59869 2469519 605034 80550 528590 212727 219050 155590 60004 42065 1-OLEOYL-RAC-GLYCEROL (CAS# 111-03-5); (M+NA)+ MG 18:1 190678 134626 234766 119900 376236 117108 262710 152486 145617 129824 182692 148550 386232 404922 65525 174571 95971 138691 151869 115650 133782 140956 125137 99532 112735 79655 131763 118298 134589 94628 131936 109302 127311 87050 151486 122116 135262 126372 1-PHENYLETHANOL (CAS# 1445-91-6); (M+H)+[-H2O] 1-Phenylethanol 403598 6705 375962 406211 3863 348427 6551 9548 6363 9371 11547 10238 13156 124837 9935 8344 8425 312383 343059 303324 332994 412795 298836 331166 12079 10817 8396 14119 16246 16249 15042 14204 11968 20:0 LYSO PC (CAS# 108341-80-6); (M+H)+ LPC 20:0 35127 15199 6908 13865 7802 20:0 LYSO PC (CAS# 108341-80-6); (M+NA)+ LPC 20:0 103737 48676 19042 4640 14574 5929 3625 6286 1713 2213 5307 2122 2770 16465 6287 2096 3332 3329 24:0 SM (D18:1/24:0) (CAS# 60037-60-7); (M+H)+ SM 18:1;O2/24:0 45200 51278 22194 18707 32207 75815 25842 1073 24:0 SM (D18:1/24:0) (CAS# 60037-60-7); (M+NA)+ SM 18:1;O2/24:0 559860 1677953 266566 7692 323374 475042 424467 3407 254209 128494 144592 945892 3477386 109596 473069 639842 1964 49012 10059 7055 99011 9751 47083 36624 62399 18342 81828 91265 80571 10645 84976 1420 82240 25-HYDROXYCHOLESTEROL (CAS# 2140-46-7); (M+H)+[-H2O] 25-Hydroxycholesterol 62618 13994 25-HYDROXYCHOLESTEROL (CAS# 2140-46-7); (M+NA)+ 25-Hydroxycholesterol 94158 45325 2-AMINO-2-METHYLPROPANOATE (CAS# 62-57-7); (M+H)+ Aminoisobutyric acid 1424 2-AMINOBUTANOATE (CAS# 2623-91-8); (M+H)+ 2-Aminobutyric acid 1201 1144 2^-DEOXYCYTIDINE 5^-MONOPHOSPHATE (CAS# 1032-65-1); (M+H)+ dCMP 7537 7655 2^-DEOXYGUANOSINE (CAS# 961-07-9); (M+H)+ Deoxyguanosine 4435970 7922480 3046828 16000000 2308165 2107158 6216612 7648262 1240205 961313 2338767 1530127 2998632 5064188 3074608 13300000 2^-DEOXYINOSINE (CAS# 890-38-0); (2M+NA)+ Deoxyinosine 21008 2^-DEOXYINOSINE (CAS# 890-38-0); (M+NA)+ Deoxyinosine 245784 496756 43459 86994 43111 313712 29294 51955 27501 272557 116252 246401 158833 142341 189899 2-HYDROXY-3-METHYLBUTYRIC ACID (CAS# 4026-18-0); (M+NA)+ 2-Hydroxy-3-methylbutyric acid 70385 32786 2-HYDROXYBUTYRATE (CAS# ); (M+NA)+ 2-Hydroxybutyric acid 10196 2-METHYLGLUTARIC ACID (CAS# 18069-17-5); (M+H)+ 2-Methylglutaric acid 123281 174518 141763 206884 141735 84759 164177 126901 139755 119318 149859 162881 204232 150181 146714 172977 178856 2-METHYLGLUTARIC ACID (CAS# 18069-17-5); (M+H)+[-H2O] 2-Methylglutaric acid 151973 116098 9214 230662 129000 2-METHYLGLUTARIC ACID (CAS# 18069-17-5); (M+NA)+ 2-Methylglutaric acid 9170 2-METHYLMALEATE (CAS# 498-23-7); (M+NA)+ Citraconic acid 1136 1851 2-METHYLPROPANAL OXIME (CAS# 151-00-8); (M+H)+[-H2O] 2-Methylpropanal oxime 7556 2320 12179 162476 14491 2-METHYLPROPANOATE (CAS# 79-31-2); (M+NA)+ Isobutyric acid 2139 1345 4195 2-OXOBUTANOATE (CAS# 600-18-0); (M+H)+ 3-Methyl pyruvic acid 1177 3-AMINO-4-HYDROXYBENZOIC ACID (CAS# 1571-72-8); (M+H)+ 3-Amino-4-hydroxybenzoic acid 49910 34616 44830 3709 3-AMINOISOBUTANOATE (CAS# 144-90-1); (M+H)+[-H2O] 3-Aminoisobutanoic acid 5970 4314 3187 7767 12001 14546 13079 9660 3BETA-HYDROXY-5ALPHA-PREGNAN-20-ONE (CAS# 516-55-2); (M+NA)+ 3beta-Hydroxy-5alpha-pregnan-20-one 2994 2041 1818 3BETA-HYDROXYANDROST-5-EN-17-ONE 3-SULFATE (CAS# ); M+[-HSO4] Dehydroepiandrosterone sulfate 1080 3^-CMP (CAS# 63-37-6); (M+H)+ 3'-CMP 5600 23313 4567 3-HYDROXY-3-METHYLGLUTARATE (CAS# 503-49-1); (M+H)+ 3-Hydroxymethylglutaric acid 2154 1528 3-HYDROXYANTHRANILATE (CAS# 548-93-6); (M+H)+ 3-Hydroxyanthranilic acid 1933 1118 3-METHOXYTYRAMINE (CAS# ); (M+H)+ 3-Methoxytyramine 7605 8083 21413 15422 17851 3-METHYGLUTARIC ACID (CAS# 626-51-7); (M+H)+ Methylglutaric acid 125965 174518 141763 202374 141735 90184 164177 123311 143774 117048 146523 158993 200443 150181 143351 172977 178856 3-METHYGLUTARIC ACID (CAS# 626-51-7); (M+H)+[-H2O] Methylglutaric acid 151973 116029 230808 129000 3-METHYGLUTARIC ACID (CAS# 626-51-7); (M+NA)+ Methylglutaric acid 9170 3-METHYL-2-BUTENAL (CAS# 107-86-8); (M+NA)+ 3-Methyl-2-butenal 3238 3-METHYL-2-OXINDOLE (CAS# 1504-06-9); (M+H)+ 3-Methyloxindole 5552 5791 5156 5471 6611 9259 6286 6748 3-METHYLADENINE (CAS# 5142-23-4); (M+H)+ 3-Methyladenine 1500 3696 13999 1285 3550 2640 3665 1613 4102 2032 2596 1205 3-METHYLADENINE (CAS# 5142-23-4); (M+NA)+ 3-Methyladenine 9852 5419 10403 1151 6380 2411 2979 3-METHYLADIPIC ACID (CAS# 3058-01-3); (M+NA)+ 3-Methyladipic acid 12015 6290 2548 2034 3-PHOSPHOGLYCERATE (CAS# ); (M+H)+ 3-Phosphoglyceric acid 2870 3-UREIDOPROPIONIC ACID (CAS# 462-88-4); (M+H)+ Ureidopropionic acid 29764 144500 10579 55798 200261 3-UREIDOPROPIONIC ACID (CAS# 462-88-4); (M+H)+[-H2O] Ureidopropionic acid 20699 44431 12278 4-ACETAMIDOBUTANOATE (CAS# 3025-96-5); (M+NA)+ 4-Acetamidobutanoic acid 4122 7617 15343 4741 3778 4169 7669 1525 4-AMINOBENZOATE (CAS# 150-13-0); (M+H)+ p-Aminobenzoic acid 136627 164393 181829 174174 123533 154103 83078 136514 101833 112405 110747 95704 112007 134122 154363 129838 139708 167739 161479 160743 121780 184401 144609 161147 179874 161445 113380 200357 175753 184465 114703 185435 158163 4-AMINOBUTANOATE (CAS# 56-12-2); (M+H)+ gamma-Aminobutyric acid 1201 4-COUMARATE (CAS# 501-98-4); (M+H)+ cis-p-Coumaric acid 4152 40650 22865 4-COUMARATE (CAS# 501-98-4); (M+H)+[-H2O] cis-p-Coumaric acid 104532 68019 94915 74796 4-HYDROXY-2-QUINOLINECARBOXYLIC ACID-KRYNURENIC ACID (CAS# 492-27-3); (M+H)+ Kynurenic acid 1029 3240 11191 4-HYDROXY-3-METHOXY-BENZENEMETHANOL (CAS# 498-00-0); (M+H)+[-H2O] 4-Hydroxy-3-methoxybenzenemethanol 15554 2159 1703 6809 4-HYDROXYBENZALDEHYDE (CAS# 123-08-0); (M+H)+ 4-Hydroxybenzaldehyde 1659 3787 4897 4713 5143 4207 3271 3783 4-HYDROXY-L-PROLINE (CAS# 2584-71-6); (M+H)+ cis-4-Hydroxyproline 6330 4-PYRIDOXATE (CAS# 82-82-6); (M+NA)+ 4-Pyridoxic acid 2664 5ALPHA-CHOLEST-7-EN-3BETA-OL (CAS# 80-99-9); (M+H)+[-H2O] Lathosterol 122333 90355 19630 2282 28174 659514 25386 58024 7859 70972 1784 6980 58509 2007 20784 1665 16545 4882 10205 16133 14517 2605 3788 5-AMINOLEVULINATE (CAS# 106-60-5); (M+H)+ 5-Amino-levulinic acid 6330 5-AMINOLEVULINATE (CAS# 106-60-5); (M+NA)+ 5-Amino-levulinic acid 5592 5-AMINOPENTANOATE (CAS# 660-88-8); (M+H)+ 5-Aminopentanoic acid 2869238 2506106 280792 480381 1793276 647922 1955722 103240 70626 362502 527942 1875296 1882825 446137 486298 5^-DEOXYADENOSINE (CAS# 4754-39-6); (M+H)+ 5'-Deoxyadenosine 160187 160993 107652 5-HYDROXYINDOLEACETATE (CAS# 54-16-0); (M+H)+ 5-Hydroxyindoleacetic acid 34422 22059 4118 5644 32530 2963 17822 20746 32701 4484 33394 62731 37786 20245 5-HYDROXYMETHYLURACIL (CAS# 4433-40-3); (M+H)+ 5-Hydroxymethyluracil 32605 10143 1788 1516 5-HYDROXYMETHYLURACIL (CAS# 4433-40-3); (M+NA)+ 5-Hydroxymethyluracil 2087 5-HYDROXY OMEPRAZOLE (CAS# 92340-57-3); (M+NA)+ 5-Hydroxyomeprazole 3446 5-HYDROXYTRYPTOPHAN (CAS# 4350-09-8); (2M+H)+ 5-Hydroxy-tryptophan 21188 22699 5-HYDROXYTRYPTOPHAN (CAS# 4350-09-8); (M+H)+ 5-Hydroxy-tryptophan 298473 306867 586683 291563 639648 263815 319540 347150 118461 81254 336904 223802 446986 427523 214167 285878 252370 80829 68031 262057 70834 55968 5-METHYLTETRAHYDROFOLATE (CAS# 134-35-0); (M+H)+ 5-Methyl-THF 6087 26562 9065 10239 5^-METHYLTHIOADENOSINE (CAS# 2457-80-9); (M+H)+ 5'-Methylthioadenosine 44411 62036 37774 26844 8242 72038 30828 279284 62767 95900 1234034 668446 1105861 5^-METHYLTHIOADENOSINE (CAS# 2457-80-9); (M+NA)+ 5'-Methylthioadenosine 23184 5-OXOPROLINE (CAS# 4042-36-8); (M+H)+ Pyroglutamic acid 7067611 5-VALEROLACTONE (CAS# 542-28-9); (M+H)+ 5-Valerolactone 16096 1046 2591 27065 5391 6-CARBOXYHEXANOATE (CAS# 111-16-0); (M+NA)+ Pimelic acid 2548 2034 6-HYDROXYNICOTINATE (CAS# 5006-66-6); (M+NA)+ 6-Hydroxynicotinic acid 13406 ABRINE (CAS# 526-31-8); (M+H)+ N(alpha)-Methyl-tryptophan 4706 4890 12589 13107 6483 8986 10835 13724 8896 ACETOACETATE (CAS# 541-50-4); (M+NA)+ Acetoacetic acid 1024 ACETOACETYL-COA (CAS# 1420-36-6); (M+H)+ Acetoacetyl-CoA 1098 2432 ACETYLCHOLINE (CAS# 51-84-3); M+ Acetylcholine 100811 25866 33390 60093 48492 68638 ADENINE (CAS# 73-24-5); (M+H)+ Adenine 61475 2025217 604494 384285 309044 ADENOSINE 5^-DIPHOSPHATE (CAS# 58-64-0); (M+H)+ ADP 5936 6751 1207 9972 1266 23338 1936 ADENOSINE 5^-MONOPHOSPHATE (CAS# 61-19-8); (2M+H)+ AMP 2948 19680 9321 15811 1366 5928 4561 43216 43841 49694 59534 12194 2434 5234 2977 ADENOSINE 5^-MONOPHOSPHATE (CAS# 61-19-8); (M+H)+ AMP 166692 185176 369934 85519 323966 388420 30625 261802 377772 538596 223501 509872 724869 223842 311409 507953 160716 222648 117083 ADENOSINE 5^-PHOSPHOSULFATE (CAS# 485-84-7); (M+NA)+ Adenosine phosphosulfate 2327 3653 4375 ADENOSINE (CAS# 58-61-7); (M+H)+ Adenosine 4167184 7922480 3046828 16900000 2308165 2107158 6216612 7648262 1240205 961313 2338767 1530127 2998632 5064188 3074608 13300000 ADIPIC ACID (CAS# 124-04-9 ); (M+H)+ Adipic acid 128251 174518 141763 206884 141735 90184 164177 126901 147604 119318 149859 155465 204232 150181 146714 172977 178856 ADIPIC ACID (CAS# 124-04-9 ); (M+NA)+ Adipic acid 9170 ADPGLUCOSE (CAS# ); (M+H)+ ADP-glucose 11072 1181 2283 ADPGLUCOSE (CAS# ); (M+NA)+ ADP-glucose 2332 1245 1735 2330 1737 1386 2540 ADP-RIBOSE (CAS# ); (M+H)+ ADP-ribose 1523 1779 2787 2531 ADP-RIBOSE (CAS# ); (M+H)+[-H2O] ADP-ribose 12406 8201 4712 4094 19433 36416 57189 16075 3329 4195 30792 ADP-RIBOSE (CAS# ); (M+NA)+ ADP-ribose 5836 1970 1105 AGMATINE (CAS# 2482-00-0); (M+H)+ Agmatine 1720 4262 1626 1950 5566 8150 3347 3443 AHBA (CAS# 76045-71-1); (M+H)+ 3-Amino-5-hydroxybenzoic acid 49910 34616 44830 3709 ALANINE (CAS# 56-41-7); (M+H)+ Alanine 7907 57348 ALLOSE (CAS# 2595-97-3); (M+H)+[-H2O] Allose 2154 1936 1528 2161 ALPHA-D-GALACTOSE 1-PHOSPHATE (CAS# 2255-14-3); (M+NA)+ Galactose 1-phosphate 6780 1148 ALPHA-LINOLENIC ACID (CAS# 463-40-1); (M+NA)+ alpha-Linolenic acid 271654 6395 30263 24267 29997 27900 19830 23981 15639 28279 11286 45830 5740 36920 116540 41470 26368 33669 38997 43922 38142 47216 37601 25780 33829 37055 34163 65927 44425 25896 11967 35023 12909 35706 33072 22553 ALPHA-TOCOPHEROL (CAS# 59-02-9); (M+H)+ alpha-Tocopherol 2586 3477 5090 7404 6594 ANDROSTERONE (CAS# 53-41-8); (M+NA)+ Androsterone 1185 ANTHRANILATE (CAS# 118-92-3); (M+H)+ 2-Aminobenzoic acid 2915 1372 3428 ARABINOSE (CAS# 147-81-9); (M+NA)+ Arabinose 113737 378852 358227 245062 313825 ARACHIDIC ACID (CAS# 506-30-9); (M+NA)+ Arachidic acid 14141 2141 21993 19657 1489 1041 ASCORBATE (CAS# 50-81-7); (M+H)+[-H2O] Vitamin C 120397 96669 247045 16238 43691 10543 105905 ASPARAGINE (CAS# 70-47-3); (M+H)+ Asparagine 1070 144500 5679 2298 10579 2390 ASPARAGINE (CAS# 70-47-3); (M+NA)+ Asparagine 96118 ASPARTATE (CAS# 56-84-8); (M+H)+ Aspartic acid 38872 139689 15502 94748 62637 3210 5639 8746 9983 9486 10938 28762 17135 ASPARTATE (CAS# 56-84-8); (M+NA)+ Aspartic acid 5959 5832 1485 5582 4225 4487 3893 4764 5013 3396 3568 2012 1204 1574 AZELAIC ACID (CAS# 123-99-9); (M+H)+[-H2O] Azelaic acid 7278 6426 4203 9835 3187 2788 9159 AZELAIC ACID (CAS# 123-99-9); (M+NA)+ Azelaic acid 120073 98664 78600 184929 110233 76267 48017 53685 62223 49657 72022 39273 66997 46820 61479 32364 172288 94811 42922 34377 40395 32546 49041 35516 38718 62946 49765 BENZOATE (CAS# 65-85-0); (M+H)+ Benzoic acid 1659 3787 4897 3174 5143 4198 3271 3783 BETA-ALANINE (CAS# 107-95-9); (M+H)+ beta-Alanine 49231 81254 13905 89567 3350 10278 56523 BETA-ALANYL-N(PAI)-METHYL-L-HISTIDINE (CAS# 584-85-0); (M+H)+ Anserine 1486 BETA-ALANYL-N(PAI)-METHYL-L-HISTIDINE (CAS# 584-85-0); (M+NA)+ Anserine 17809 10353 BETAINE (CAS# 107-43-7); (M+H)+ Betaine 540847 348791 403903 516887 360719 511198 349371 2869238 2506106 245878 280792 291227 241805 480381 205975 257489 1793276 647922 1955722 103240 70626 362502 487352 527942 1875296 1806564 526343 446137 486298 BETAINE (CAS# 107-43-7); (M+NA)+ Betaine 38730 27271 47624 31452 14300 30470 29430 22017 36119 21218 57198 36882 42699 42170 BETA-MALTOSE (CAS# 69-79-4); (2M+NA)+ Maltose 41591 80948 100142 175780 304463 278273 174348 280114 268656 BETA-MALTOSE (CAS# 69-79-4); (M+NA)+ Maltose 1714 2189 4216 1977 249917 10394 12342 876051 830625 4069 5931 24328 6737 6388 616227 827992 1132 2714 1854 BILIVERDIN (CAS# 114-25-0); (M+NA)+ Biliverdin 7577 BIOTIN (CAS# 58-85-5); (M+H)+[-H2O] Biotin 1824 4780 BIOTIN (CAS# 58-85-5); (M+NA)+ Biotin 5101 3992 6396 7023 26702 BIS(2-ETHYLHEXYL)PHTHALATE (CAS# 117-81-7); (M+H)+ Bis(2-ethylhexyl)phthalate 11159 6000 29606 6304 4474 BIS(2-ETHYLHEXYL)PHTHALATE (CAS# 117-81-7); (M+NA)+ Bis(2-ethylhexyl)phthalate 1325026 1290767 863762 631688 855870 673051 969886 877564 1247168 711443 669015 761468 689715 864109 1336242 778868 823010 852731 775469 833118 859390 764699 796862 673250 766213 790931 782566 823058 633516 632921 909471 687134 3205607 749054 507512 762527 764891 782687 737155 BIS-GAMMA-GLUTAMYLCYSTINE (CAS# 23052-19-9); (M+H)+ Bis-gamma-glutamylcystine 5489 35154 28817 6759 BOC-LYS-OH (CAS# 13734-28-6); (M+H)+ 3541 BOC-PRO-OH (CAS# 15761-39-4); (M+NA)+ 2091 C12 GALACTOSYL(BETA) CERAMIDE (D18:1/12:0) (CAS# 41613-14-3); (M+H)+ 1222 C12 GALACTOSYL(BETA) CERAMIDE (D18:1/12:0) (CAS# 41613-14-3); (M+NA)+ 33780 50494 11330 64521 58699 5807 4381 3012 1308 CADAVERINE (CAS# 462-94-2); (M+NA)+ Cadaverine 1216 CAFFEATE (CAS# 331-39-5); (M+H)+[-H2O] Caffeic acid 5462 18909 15858 20120 19966 CAFFEINE (CAS# 58-08-2); (M+NA)+ Caffeine 15108 12064 CALCIDIOL (CAS# 19356-17-3); (M+NA)+ 25-Hydroxyvitamin D3 16294 1528 CARNOSINE (CAS# 305-84-0); (M+H)+ Carnosine 1108 1180 4494 5467 2119 2335 3192 CARNOSINE (CAS# 305-84-0); (M+NA)+ Carnosine 1049 CATECHOL (CAS# 120-80-9); (M+H)+ Pyrocatechol 5463 1089 1680 1252 CELLOBIOSE (CAS# 528-50-7); (M+NA)+ Cellobiose 1021 1370 4216 1977 243674 10394 12342 874141 832402 4069 5931 21928 6737 6388 616611 827992 1156 2714 CHOLATE (CAS# 81-25-4); (M+NA)+ Cholic acid 5499 7104 11319 4858 3082 6079 6477 9165 8290 7035 7404 5334 4803 CHOLESTEROL (CAS# 57-88-5); (M+H)+[-H2O] Cholesterol 131177 90355 19630 2440 28317 659726 25386 58024 7839 70972 1711 6980 58509 2007 20859 1327 16666 4882 14135 13101 13930 CHOLESTEROL HYDROGEN SULFATE (CAS# 1256-86-6); M+[-HSO4] Cholesterol sulfate 6656 8579 13733 CHOLINE (CAS# 62-49-7); M+ Choline 14760 15605 2069 18281 6968 197989 284334 19039 29694 37380 27381 279682 130621 267005 8865 41995 257350 3623 317500 401707 10086 20661 3711 CHOLINE PHOSPHATE (CAS# 107-73-3); (M+H)+ Choline phosphate 22051 9532 6895 17456 13698 CINNAMIC ACID (CAS# 140-10-3); (M+H)+[-H2O] trans-Cinnamic acid 1071 CIS-VACCENIC ACID (CAS# 506-17-2); (M+H)+ cis-Vaccenic acid 37972 62010 9756 23833 4266 35026 3292 40337 22315 3362 10912 11909 10949 5643 6648 10692 7487 11114 8110 CIS-VACCENIC ACID (CAS# 506-17-2); (M+K)+ cis-Vaccenic acid 2886 CIS-ZEATIN (CAS# 1637-39-4); (M+H)+ cis-Zeatin 1199816 7038996 5219862 5280585 5618019 8382166 7740257 8476482 7258091 6279481 7021081 7101263 7614785 6770723 5730500 207739 4456392 6810359 5695405 6166212 7297001 6998894 6630423 7439272 7445659 7381622 CITRAMALATE (CAS# 2306-22-1); (M+NA)+ Citramalic acid 9565 CITRATE (CAS# 77-92-9); (M+H)+[-H2O] Citric acid 9811 CITRATE (CAS# 77-92-9); (M+NA)+ Citric acid 3749 26042 80734 112577 4405 96844 2344 CITRULLINE (CAS# 372-75-8); (M+NA)+ Citrulline 33920 CMP (CAS# 63-37-6); (M+H)+ CMP 5124 23313 4567 CORTISOL (CAS# 50-23-7); (M+NA)+ Cortisol 3508 3070 2828 9107 20381 4232 2517 2178 3188 1976 2808 1791 (-)-COTININE (CAS# 486-56-6); (M+H)+ Cotinine 2104 CREATINE (CAS# 57-00-1); (M+H)+ Creatine 12921 9689 20563 22267 CREATININE (CAS# 60-27-5); (M+H)+ Creatinine 4644 CREATININE-(GUANIDINO-13C) [ISTD] (CAS# ); (2M+H)+ 103221 CYCLOPENTANONE (CAS# 120-92-3); (2M+K)+ Cyclopentanone 1760 CYSTATHIONINE (CAS# 56-88-2); (M+H)+[-H2O] Cystathionine 7584 6758 13395 10285 CYSTATHIONINE (CAS# 56-88-2); (M+NA)+ Cystathionine 3777 6795 CYSTINE (CAS# 56-89-3); (M+H)+ Cystine 1274 CYSTINE (CAS# 56-89-3); (M+NA)+ Cystine 1056 3160 1810 1002 8068 3308 5420 CYTIDINE 5^-DIPHOSPHATE (CAS# 63-38-7); (M+H)+ CDP 146680 1136 CYTIDINE 5^-DIPHOSPHATE (CAS# 63-38-7); (M+NA)+ CDP 4276 3661 4454 1192 CYTIDINE 5^-DIPHOSPHOCHOLINE (CAS# 987-78-0); (M+H)+ CDP-choline 20988 30825 18036 20589 8086 31323 9321 15977 28074 11055 6334 10488 15927 16028 20543 17903 20574 8627 18224 25672 21595 22058 18440 16330 17389 17357 CYTIDINE 5^-DIPHOSPHOCHOLINE (CAS# 987-78-0); (M+NA)+ CDP-choline 1731 1895 CYTIDINE (CAS# 65-46-3); (2M+H)+ Cytidine 4750 15010 25383 CYTIDINE (CAS# 65-46-3); (M+H)+ Cytidine 130888 130810 176199 50884 232363 249521 208549 205130 CYTOSINE (CAS# 71-30-7); (M+H)+ Cytosine 18089 5838 11317 CYTOSINE (CAS# 71-30-7); (M+NA)+ Cytosine 35353 82750 DAMP (CAS# 653-63-4); (M+H)+ dAMP 15006 29434 DAMP (CAS# 653-63-4); (M+NA)+ dAMP 15340 D-(-)-ARABINOSE (CAS# 10323-20-3); (M+NA)+ Arabinose 113737 378852 358227 6165 245062 313825 DEBRISOQUIN (CAS# 581-88-4); (M+H)+ Debrisoquine 1285 7574 3026 7156 11073 7355 3587 4421 6126 8104 16495 2165 19176 17517 17777 35748 30527 4289 27907 12938 4080 15022 5754 16012 34660 43944 46219 36730 41886 38216 DECANOATE (CAS# 334-48-5); (2M+NA)+ Capric acid 55907 35337 187066 71924 86425 17076 277827 436585 627672 51654 211551 35349 DEHYDROASCORBATE (CAS# 490-83-5); (M+H)+ Dehydroascorbic acid 9811 DEOXYADENOSINE (CAS# 16373-93-6); (M+H)+ Deoxyadenosine 582253 42120 124473 218173 838931 DEOXYCHOLIC ACID (CAS# 83-44-3); (M+H)+ Deoxycholic acid 4930 10305 3519 DEOXYCHOLIC ACID (CAS# 83-44-3); (M+NA)+ Deoxycholic acid 41023 41763 63478 66169 54528 109993 42910 39745 41213 35190 38753 35893 29013 37292 45417 29752 44358 32407 34731 73173 30423 63733 73481 83302 72592 72073 73235 86436 72847 66955 32550 31662 32665 35192 36090 38100 33183 41418 32746 DEOXYCYTIDINE (CAS# 951-77-9); (2M+NA)+ Deoxycytidine 8256 1737 4212 DEOXYCYTIDINE (CAS# 951-77-9); (M+H)+ Deoxycytidine 8761 DEOXYURIDINE (CAS# 951-78-0); (M+NA)+ Deoxyuridine 21579 63967 132116 146683 344763 DESMOSTEROL (CAS# 313-04-2); (M+H)+[-H2O] Desmosterol 8422 6860 DETHIOBIOTIN (CAS# 533-48-2); (M+H)+ Dethiobiotin 56356 69950 33983 42117 28111 56486 84933 70285 97833 43191 44928 78302 76006 DEXTROMETHORPHAN (CAS# 125-69-9); (M+H)+ Dextromethorphan 2974 1042 2758 2806 3977 2424 5495 2571 D-GALACTOSAMINE (CAS# 7535-00-4); (M+H)+ Galactosamine 17743 13686 30102 10264 10160 2306 2988 1341 2094 2219 11019 1456 33772 4348 18593 1788 14135 D-GALACTOSAMINE (CAS# 7535-00-4); (M+H)+[-H2O] Galactosamine 1315 D-GALACTOSAMINE (CAS# 7535-00-4); (M+K)+ Galactosamine 9260 D-GALACTOSAMINE (CAS# 7535-00-4); (M+NA)+ Galactosamine 6769 6703 5327 5205 29098 3279 7604 5202 5891 9005 7273 12045 DGDP (CAS# 653-63-4); (M+H)+ dGDP 15006 29434 119726 DGDP (CAS# 653-63-4); (M+NA)+ dGDP 15340 D-GLUCOSAMINE 6-SULFATE (CAS# 91674-26-9); (M+H)+ Glucosamine 6-sulfate 2827 36735 D-GLUCOSAMINE (CAS# 3416-24-8); (M+H)+ Glucosamine 17743 13686 30102 10264 10160 2306 2988 1341 2094 2219 11019 1456 33772 4348 18593 1788 14135 D-GLUCOSAMINE (CAS# 3416-24-8); (M+NA)+ Glucosamine 6769 6703 5327 5205 29098 3279 7604 5202 5891 9005 7273 12045 D-GLUCOSE 6-PHOSPHATE (CAS# 56-73-5); (M+NA)+ Glucose 6-phosphate 6780 1148 D-GLUCURONOLACTONE (CAS# 32449-92-6); (M+NA)+ Glucuronolactone 55494 62906 3208 53767 DGMP (CAS# 902-04-5); (M+H)+ dGMP 85519 34292 261802 377772 538596 509872 223842 507953 15218 5802 DIETHANOLAMINE (CAS# 111-42-2); (M+NA)+ Diethanolamine 3068 DIHYDROFOLATE (CAS# 4033-27-6); (M+H)+ Dihydrofolic acid 53034 DIMETHYL MALEATE (CAS# 624-48-6); (M+H)+ Dimethyl maleate 12465 4912 2141 17667 DIMETHYL MALEATE (CAS# 624-48-6); (M+NA)+ Dimethyl maleate 3667 4165 2303 7124 1585 11143 3463 DIPHENHYDRAMINE (CAS# 147-24-0); (M+H)+ Diphenhydramine 2050 5727 D-LYXOSE (CAS# 1114-34-7); (M+NA)+ Lyxose 113737 378852 358227 245062 313825 D-MANNOSAMINE (CAS# 14307-02-9); (M+H)+ Galactosamine 17743 13686 30102 10264 10160 2306 2988 1341 2094 2219 11019 1456 33772 4348 18593 1788 11275 D-MANNOSAMINE (CAS# 14307-02-9); (M+H)+[-H2O] 2-Amino-2-deoxy-D-mannose 1315 D-MANNOSAMINE (CAS# 14307-02-9); (M+K)+ 2-Amino-2-deoxy-D-mannose 9260 D-MANNOSAMINE (CAS# 14307-02-9); (M+NA)+ 2-Amino-2-deoxy-D-mannose 6769 6703 5327 5205 29098 3279 7604 5202 5891 9005 7273 12045 D-ORNITHINE (CAS# 348-66-3); (M+H)+ D-Ornithine 41495 1535 39386 42342 344531 17393 42046 66741 254756 67638 180797 4568 70179 49179 68249 195251 173887 12327 110521 655661 65017 849543 146038 216417 62192 59193 174921 147065 16711 DOXYLAMINE (CAS# 469-21-6); (M+H)+ Doxylamine 24853 26079 D-PSICOSE (CAS# 551-68-8); (2M+NA)+[-H2O] Psicose 4216 10394 12342 5931 24328 3842 ELAIDIC ACID (CAS# 112-79-8); (M+H)+ Elaidic acid 37972 62010 9756 23833 4266 35026 3292 40337 22315 10912 11909 10949 5643 6648 10692 7487 11114 8110 ELAIDIC ACID (CAS# 112-79-8); (M+NA)+ Elaidic acid 91477 150726 145000 36479 154171 169914 268411 74153 282096 56054 122496 39377 14449 64895 34796 185307 72099 9087 25918 24548 6891 27684 29622 30282 32356 32780 29883 29423 26379 13111 28588 31673 28857 11810 6616 3958 EPINEPHRINE (CAS# 51-43-4); (M+H)+ Epinephrine 13467 EPINEPHRINE (CAS# 51-43-4); (M+H)+[-H2O] Epinephrine 24194 22814 43257 5213 13466 6090 45274 ESTRADIOL-17BETA (CAS# 50-28-2); (M+NA)+ beta-Estradiol 1645 4243 3071 1428 1964 2783 1444 2117 ETHYL 3-UREIDOPROPIONATE (CAS# 198879-21-9); (M+H)+ Ethyl 3-(carbamoylamino)propanoate 9576 8203 8323 ETHYLMALONIC ACID (CAS# 601-75-2); (M+NA)+ Ethylmalonic acid 3187 3702 1511 FERULATE (CAS# 1135-24-6); (M+H)+ trans-Ferulic acid 3016 3551 3146 23089 28323 43255 22131 12998 9026 12398 32265 33336 1270 25634 23580 32474 86095 35999 32177 FERULATE (CAS# 1135-24-6); (M+H)+[-H2O] trans-Ferulic acid 1019 2345 2748 1599 2439 1638 FERULATE (CAS# 1135-24-6); (M+NA)+ trans-Ferulic acid 1093 FLAVIN ADENINE DINUCLEOTIDE (CAS# 146-14-5); (M+H)+ FAD 3565 1003 FRUCTOSE (CAS# 57-48-7); (M+NA)+ Fructose 27173 77726 39599 242103 61482 21547 112500 136707 29746 41503 31721 10030 780681 742464 310341 446458 136470 164620 1275613 154941 416993 185751 939058 707595 67082 55277 752276 77246 34271 GALACTITOL OR DULCITOL (CAS# 608-66-2); (M+H)+ Galactitol 1342 GALACTITOL OR DULCITOL (CAS# 608-66-2); (M+H)+[-H2O] Galactitol 1000 GALACTITOL OR DULCITOL (CAS# 608-66-2); (M+NA)+ Galactitol 4922 4740 11554 16759 17400 6935 8158 3590 GALACTURONIC ACID (CAS# 91510-62-2); (2M+NA)+ Galacturonic acid 4219 3646 5539 5254 9988 10901 9829 GALACTURONIC ACID (CAS# 91510-62-2); (M+NA)+[-H2O] Galacturonic acid 4641 5147 4300 5715 4371 6871 1650 165638 14910 GAMMA-BUTYROLACTONE (CAS# 96-48-0); (M+H)+ gamma-Butyrolactone 51826 42502 28248 121906 19498 86557 47045 46464 65476 GAMMA-L-GLUTAMYL-L-CYSTEINE (CAS# 686-58-8); (M+H)+ gamma-Glutamylcysteine 606564 497037 GAMMA-L-GLUTAMYL-L-CYSTEINE (CAS# 686-58-8); (M+H)+[-H2O] gamma-Glutamylcysteine 77923 15013 55086 5130 225645 19879 GAMMA-LINOLENIC ACID (CAS# 506-26-3); (M+NA)+ gamma-Linolenic acid 271654 6395 30263 24267 29997 27900 19830 23981 15639 28279 11286 45830 5740 36920 116540 41470 26368 33669 38997 43922 38142 47216 37601 25780 33829 37055 34163 65927 44425 25896 11967 35023 12909 35706 33072 22553 GDPMANNOSE (CAS# ); (M+H)+ GDP-mannose 1569 1050 2046 GDPMANNOSE (CAS# ); (M+NA)+ GDP-mannose 1270 GIBBERELLIC ACID [ISTD] (CAS# 77-06-5); (M+NA)+ Gibberellin A3 115569 84091 155648 142488 162230 133603 151335 140677 138614 147260 121890 113039 102992 107928 113533 110724 115342 124848 116786 118142 134847 128684 GLUCONIC ACID (CAS# 526-95-4); (M+NA)+ Gluconic acid 8006 17112 GLUCOSAMINATE (CAS# 3646-68-2); (M+H)+ Glucosaminic acid 1190 1773 GLUCOSAMINE 6-PHOSPHATE (CAS# 3616-42-0); (M+H)+ Glucosamine 6-phosphate 1495 GLUCOSE (CAS# 50-99-7); (2M+NA)+ Glucose 9820 48666 9580 12549 12210 GLUCOSE (CAS# 50-99-7); (2M+NA)+[-H2O] Glucose 2877 10394 12342 24328 6737 GLUCOSE (CAS# 50-99-7); (M+NA)+ Glucose 27173 77726 39599 242103 61482 21547 136707 29746 41503 31721 10030 780681 742464 310341 446458 136470 164620 1275613 154941 416993 1058761 939058 67082 55389 70167 77246 34271 GLUCURONIC ACID (CAS# 6556-12-3); (M+NA)+ Glucuronic acid 55494 62906 3208 1518 58595 GLUTAMATE (CAS# 56-86-0); (M+H)+ Glutamic acid 7338 1176760 2253387 1622 826862 918839 9873 24674 16720 827365 827940 GLUTAMATE (CAS# 56-86-0); (M+H)+[-H2O] Glutamic acid 297958 534686 244849 47553 268477 10818 3510 14723 214444 227603 GLUTATHIONE (CAS# 27025-41-8); (M+H)+ Glutathione 2456 3485002 2616720 2503063 5577900 1391 11500000 11300000 9367070 8072633 8197746 11000000 GLUTATHIONE (CAS# 27025-41-8); (M+H2)+2 Glutathione 1672 1966 1717 7683507 2037 2282 12800000 1259 8897 GLYCERALDEHYDE 3-PHOSPHATE DIETHYL ACETAL (CAS# 93965-35-6); (2M+NA)+ Glyceraldehyde 3-phosphate diethyl acetal 9508 GLYCERALDEHYDE (CAS# 367-47-5); (2M+H)+[-H2O] Glyceraldehyde 2378 1528 GLYCINE (CAS# 56-40-6); (M+H)+ Glycine 14762 11120 4918 14750 15697 13916 12699 GLYCOCHENODEOXYCHOLATE (CAS# 640-79-9); (M+H)+[-H2O] Glycochenodeoxycholic acid 1246 1005 1928 GLYCOCHENODEOXYCHOLATE (CAS# 640-79-9); (M+NA)+ Glycochenodeoxycholic acid 6317 1741 6060 6208 11009 9383 9421 7258 10394 3375 5235 3704 4352 4544 4766 6369 6553 5855 5480 4460 2974 3120 3451 2950 GLYCOCHOLATE (CAS# 475-31-0); (M+NA)+ Glycocholic acid 11458 5698 7698 5676 GLYCOLITHOCHOLATE (CAS# 474-74-8 ); (M+NA)+ Glycolithocholic acid 34273 GLYCOLITHOCHOLATE (CAS# 474-74-8 ); (M+NA)+[-H2O] Glycolithocholic acid 37995 10490 22143 19718 6931 6790 4892 2214 8134 14193 7418 1523 GUAIFENESIN (CAS# 93-14-1); (M+H)+ Guaifenesin 1350 GUANINE (CAS# 73-40-5); (2M+H)+ Guanine 2842 2470 GUANINE (CAS# 73-40-5); (2M+NA)+ Guanine 50355 37866 GUANINE (CAS# 73-40-5); (M+H)+ Guanine 167988 10308 534286 8496 1900452 143312 267713 74723 GUANINE (CAS# 73-40-5); (M+NA)+ Guanine 49001 GUANOSINE 5^-DIPHOSPHO-BETA-L-FUCOSE (CAS# 0); (M+H)+ 11072 GUANOSINE 5^-PHOSPHATE (CAS# 85-32-5); (2M+H)+ GMP 2307 GUANOSINE 5^-PHOSPHATE (CAS# 85-32-5); (2M+NA)+[-H2O] GMP 1436 GUANOSINE 5^-PHOSPHATE (CAS# 85-32-5); (M+H)+ GMP 275427 154399 224473 GUANOSINE (CAS# 118-00-3); (M+H)+ Guanosine 3759719 3926312 56917 736958 6179536 178855 2582711 4550552 1854048 2836509 865282 90000 326811 44226 143683 1589636 691573 3989483 874045 3787848 4891949 4509934 2380512 4168902 4486610 377491 168332 240890 12665 153225 98786 57929 GUANOSINE (CAS# 118-00-3); (M+NA)+ Guanosine 22319 23254 16802 13375 28054 4648 21284 HIPPURATE (CAS# 495-69-2); (M+H)+ Hippuric acid 1250 22488 19875 23826 2760 1711 HIPPURATE (CAS# 495-69-2); (M+NA)+ Hippuric acid 2333 6185 HISTAMINE (CAS# 51-45-6); (M+H)+ Histamine 5089 2828 4261 7774 4549 2369 2442 1187 7765 HOMOCYSTINE (CAS# 462-10-2); (M+NA)+ Homocystine 1032 5012 HOMOGENTISATE (CAS# 451-13-8); (M+NA)+ Homogentisic acid 1909 4546 HOMOSERINE (CAS# 672-15-1); (M+H)+ Homoserine 218476 217980 168703 53495 184029 8056 57607 153869 154362 HOMOSERINE (CAS# 672-15-1); (M+NA)+ Homoserine 6768 12993 4813 4470 3667 14219 18049 23292 10637 12085 50999 8408 9502 5618 4939 HOMOVANILLATE (CAS# 306-08-1); (M+H)+ Homovanillic acid 1090 2143 3141 2034 5258 2031 2147 5095 3868 HYODEOXYCHOLATE (CAS# 83-49-8); (M+NA)+ Hyodeoxycholic acid 38550 12746 19265 38064 27992 2928 51048 48174 54779 56158 50796 50602 58362 59890 53779 49574 HYPOXANTHINE (CAS# 68-94-0); (M+NA)+ Hypoxanthine 6407 8120 10598 IBUPROFEN (CAS# 15687-27-1); (M+NA)+ Ibuprofen 4188 3599 1392 4776 4343 6437 5135 IMIDAZOLE-4-ACETATE (CAS# 645-65-8); (M+H)+ Imidazoleacetic acid 50125 48767 44744 45991 6017 4664 7322 3185 14225 20431 INDOLE-3-ACETALDEHYDE (CAS# 2591-98-2); (M+H)+ Indoleacetaldehyde 7329 10683 25117 21235 85281 29952 65412 7098 11512 7035 30821 6379 37507 1690 3456 6552 10905 7097 INDOLE-3-ACETATE (CAS# 87-51-4); (M+H)+ Indoleacetic acid 8891 15005 6245 1189 2532 1897 1608 2324 1176 13531 15318 1693 7517 2182 1940 1003 2175 1513 3844 INDOLE-3-ETHANOL (CAS# 526-55-6); (M+H)+ Tryptophanol 9711 23031 23093 11528 8048 25556 11672 14376 3344 6008 10298 16504 6622 6975 13272 13966 7358 11945 7460 8677 INDOLE-3-ETHANOL (CAS# 526-55-6); (M+H)+[-H2O] Tryptophanol 2486 8821 1912 2205 1090 INDOLE-3-PYRUVIC ACID (CAS# 392-12-1); (M+NA)+ Indolepyruvate 1650 3069 INDOLE (CAS# 120-72-9); (2M+NA)+ Indole 4019 INOSINE 5^-PHOSPHATE (CAS# 131-99-7); (M+H)+ IMP 96668 83377 74647 107243 102888 215577 INOSINE (CAS# 58-63-9); (M+H)+ Inosine 6842 5469 10529 2959864 2997404 19928 INOSINE (CAS# 58-63-9); (M+NA)+ Inosine 25520 ISOLEUCINE (CAS# 73-32-5); (M+H)+ Isoleucine 5095554 5184108 4350904 8623505 8358606 6352472 36300000 2316045 2185748 4986086 48000000 4345777 4117905 5184208 4909977 4406254 5325916 6645618 5443670 11000000 7708566 36900000 4933173 5819402 48100000 4335008 ISOLEUCINE (CAS# 73-32-5); (M+NA)+ Isoleucine 256958 361447 268552 156266 229221 215805 245117 48173 139189 191180 410494 35818 266482 20715 140482 290559 257834 264489 198539 218523 35839 33554 266608 191884 JASMONIC ACID [ISTD] (CAS# 77026-92-7); (M+H)+ Jasmonic acid 528214 489594 562222 515931 494883 442553 448679 448878 504066 579292 518408 594595 521143 565787 525050 519746 566959 476011 475570 197871 421049 270718 330673 441869 438255 298868 257848 327229 336493 369844 472342 470294 442395 502453 465653 441168 503070 524015 490790 JASMONIC ACID [ISTD] (CAS# 77026-92-7); (M+NA)+ Jasmonic acid 1246102 1094676 1296449 1181806 1242256 1083502 1112890 1179030 1135426 1533277 1335317 1523164 1280452 1468697 1369707 1365357 1403540 1180900 1225396 424537 1091742 643937 762341 1106063 1041817 679508 581119 659579 772832 889495 1159107 1211548 1118912 1263648 1127674 1168692 1237270 1351121 1206899 KYNURENINE (CAS# 343-65-7); (M+H)+ Kynurenine 141125 166789 290239 259720 155705 115732 170949 44362 56503 39872 90996 43887 23894 119174 68521 152153 347762 236842 147638 133719 172751 180845 170749 21922 24554 31559 46057 19180 L-[15N]ANTHRANILIC ACID [ISTD] (CAS# ); (M+H)+ 2-Aminobenzoic acid 916524 757453 1185819 763674 887844 766375 800661 883184 814611 257601 308057 343961 595312 554590 339170 288515 387845 312795 369509 LACTOSE (CAS# 63-42-3); (M+K)+ Lactose 1745 279187 257006 256832 1132 LACTOSE (CAS# 63-42-3); (M+NA)+ Lactose 1714 1370 4216 1336 243766 10394 12342 876051 835714 4369 21928 6737 6388 619153 827992 1155 2714 L-ALLOTHREONINE (CAS# 28954-12-3); (M+H)+ Allothreonine 211096 217980 164624 53495 179118 5005 43540 153869 154362 L-ALLOTHREONINE (CAS# 28954-12-3); (M+H)+[-H2O] Allothreonine 76791 110224 51000 16334 63027 3865 12444 52230 53179 LANOSTEROL (CAS# 79-63-0); (M+NA)+ Lanosterol 4093 LANTHIONINE (CAS# 3183-08-2); (M+H)+ Lanthionine 15900 LANTHIONINE (CAS# 3183-08-2); (M+NA)+ Lanthionine 2477 5662 L-ARGININE (CAS# 74-79-3); (M+H)+ Arginine 172049 466377 737907 662558 1372905 701145 406842 729886 44442 1652398 98232 673610 727051 L-ARGININE (CAS# 74-79-3); (M+NA)+ Arginine 25137 69175 L-ARGININE-(GUANIDINEIMINO-15N2) [ISTD] (CAS# ); (M+H)+ 9501 15748 23608 23801 5992 12989 13200 2987 32768 14671 12153 4405 LAUROYLCARNITINE (CAS# 25518-54-1); (M+H)+ CAR 12:0 4840 26983 2576 3241 L-CARNITINE (CAS# 541-15-1); (M+H)+ Carnitine 2431 49454 4709176 1510 23714 4762850 119611 4841090 3295 7387 39738 7008 4595786 4314111 15864 19872 7301 LEUCINE (CAS# 328-39-2); (M+H)+ Leucine 5095554 5184108 2215289 2706038 4350904 8623505 8358606 6352472 36300000 2336863 28000000 4986086 47900000 4345777 4117905 5366226 4909977 4406254 5325916 6338193 2539919 3506418 5146911 11000000 7708566 36900000 4933173 5819402 46100000 4335008 1282777 LEUCINE (CAS# 328-39-2); (M+NA)+ Leucine 256958 361447 268552 156266 229221 215805 253572 71135 129440 315643 410494 35818 271329 20715 140482 290559 257834 264489 198539 218523 35839 33554 266608 191884 LEUKOTRIENE B4 (CAS# 71160-24-2); (M+H)+ LTB4 13103 12384 12017 47866 7379 2760 LEUKOTRIENE B4 (CAS# 71160-24-2); (M+H)+[-H2O] LTB4 1313 29862 11934 1604 2128 1865 3468 2183 8452 44795 12570 1245 1751 LEUKOTRIENE B4 (CAS# 71160-24-2); (M+NA)+ LTB4 29496 39132 19717 24306 40092 5569 23006 14600 2914 30652 L-GULONATE (CAS# 6322-07-2); (M+H)+[-H2O] Gulonic acid 909502 L-GULONATE (CAS# 6322-07-2); (M+NA)+ Gulonic acid 8006 14232 L-GULONATE (CAS# 6322-07-2); (M+NA)+[-H2O] Gulonic acid 5379 L-HISTIDINE (CAS# 71-00-1); (M+H)+ Histidine 76182 103222 69533 193591 92123 209834 79473 709682 429410 306365 318807 521453 163877 516007 96737 127081 91244 149840 169683 199713 148091 518136 521783 303780 233395 180083 L-HISTIDINE (CAS# 71-00-1); (M+NA)+ Histidine 42534 46626 39079 104282 113167 22922 43105 125960 173110 141453 141039 53692 4737 40639 83525 45431 71312 126922 126109 1686 110882 L-HISTIDINOL (CAS# 4836-52-6); (M+H)+ L-Histidinol 6613 5382 6137 8535 4419 12552 7546 6294 8590 3480 7050 6091 5470 5014 3741 LINOLEATE (CAS# 60-33-3); (M+NA)+ Linoleic acid 1336 LIPOAMIDE (CAS# 940-69-2); (M+NA)+ Lipoamide 6065 16218 4595 25830 5142 7302 LIPOATE (CAS# 62-46-4); (M+NA)+ Lipoic acid 42161 35657 23014 12392 60194 70309 52536 46556 40480 74903 141953 116263 109782 41619 21319 152373 90236 94358 125999 114857 107308 LITHOCHOLIC ACID (CAS# 434-13-9); (M+NA)+ Lithocholic acid 5368 15804 10468 14003 13835 38434 42647 9464 14404 14216 40859 37205 38226 L-ORNITHINE (CAS# 70-26-8); (M+H)+ Ornithine 43608 2569 39386 42342 344531 17393 42046 66741 254756 67638 180797 4568 70179 50597 68249 195251 173887 12327 112531 655661 66979 853815 148081 218719 64279 61046 174921 147065 16711 L-RHAMNOSE (CAS# 10030-85-0); (2M+NA)+ Rhamnose 6897 2335 2591 2365 5441 2372 3370 2647 L-TRYPTOPHAN-15N2 [ISTD] (CAS# ); (M+H)+ Tryptophan 1236438 1274881 1114558 1103220 982427 976349 1154195 1099603 LUMICHROME (CAS# 1086-80-2); (M+H)+ Lumichrome 301599 388831 561376 427553 223463 267658 462377 303210 368581 108469 63472 21400 246277 359771 292008 126307 276329 351169 94219 94827 191706 139014 24985 36546 36864 123721 116701 27778 37172 165807 141979 34061 145829 140229 LUMICHROME (CAS# 1086-80-2); (M+NA)+ Lumichrome 499379 610489 1023245 805701 376828 422629 810205 611059 629138 253821 155449 54456 529778 794708 646118 293850 577630 713680 29384 13584 20295 103548 115327 392199 224940 32821 44510 138209 148097 57546 31263 77121 373274 344197 75041 359972 324544 LYSINE (CAS# 56-87-1); (M+H)+ Lysine 1183925 996202 1674942 1505455 1781236 885596 1384783 1315343 1063109 458728 634667 377362 517903 496960 528034 713198 413425 394566 1706466 407009 2010927 2123789 1961767 2086459 1997168 2266986 2488024 1920366 2255763 388011 332010 410587 346830 386559 362845 354722 395469 LYSINE (CAS# 56-87-1); (M+NA)+ Lysine 561648 493451 806452 748249 572264 331640 551395 485006 527424 145964 111589 142590 151453 138548 268231 166413 495720 99618 625663 1050450 932557 552969 668472 757351 761453 747962 104014 92071 113709 130794 127168 114894 122573 128408 MALEAMATE (CAS# 557-24-4); (M+H)+ Maleamate 9401 25860 2292 5012 5247 5294 MALEAMATE (CAS# 557-24-4); (M+NA)+ Maleamate 2225 MALTOSE (CAS# 69-79-4); (M+NA)+ Maltose 1714 2189 4216 1977 249917 10394 12342 876051 832116 4069 5931 24328 4140 4452 619153 827992 2394 2714 1854 MANDELIC ACID (CAS# 611-71-2); (M+NA)+ Mandelic acid 1585 1077 5334 3980 MANNITOL (CAS# 69-65-8); (M+H)+ Mannitol 2136 1342 2023 MANNITOL (CAS# 69-65-8); (M+H)+[-H2O] Mannitol 1000 MANNITOL (CAS# 69-65-8); (M+NA)+ Mannitol 4922 4740 11554 16759 17400 6935 8158 7342 MANNOSE-6-PHOSPHATE (CAS# 3672-15-9); (M+H)+[-H2O] Mannose 6-phosphate 1716 MANNOSE-6-PHOSPHATE (CAS# 3672-15-9); (M+NA)+ Mannose 6-phosphate 6780 1148 MELANIN (CAS# 8049-97-6); (M+H)+ Melanin 14524 24991 MELATONIN (CAS# 73-31-4); (M+H)+ Melatonin 18933 MELIBIOSE (CAS# 585-99-9); (M+K)+ Melibiose 1745 279187 257006 256832 1885 MELIBIOSE (CAS# 585-99-9); (M+NA)+ Melibiose 1223 1410 4216 1977 240825 10394 12342 876051 835714 4069 5931 24328 6737 6388 619153 827992 2714 1854 METHYL BETA-D-GALACTOSIDE (CAS# 1824-94-8); (M+NA)+ Methyl beta-D-galactoside 1400 METHYLGUANIDINE (CAS# 471-29-4); (M+H)+ Methylguanidine 11419 63353 30068 38845 12894 36699 1565 12944 19813 8320 21239 25945 16169 27237 7867 METHYL JASMONATE (CAS# 1211-29-6); (M+NA)+ Methyl jasmonate 154349 203855 155148 151240 146911 150479 133938 150549 140382 150619 158136 150284 189511 162958 149582 154019 148830 159371 176201 67629 190574 186648 190625 192173 156347 116382 65499 69300 207604 209632 177161 172567 175797 70718 141175 163483 171583 179977 180468 METHYLMALONATE (CAS# 516-05-2); (M+NA)+ Methylmalonic acid 9725 12411 13005 77663 41784 MEVALONIC ACID (CAS# 674-26-0); (M+NA)+[-H2O] Mevalonic acid 50910 31763 18055 10981 26884 M-HYDROXYMANDELIC ACID (CAS# 17119-15-2); (M+NA)+ 3-Hydroxymandelic acid 1909 MONO-METHYL GLUTARATE (CAS# 1501-27-5); (M+H)+[-H2O] Monomethyl glutaric acid 151959 116029 230808 124410 MONO-METHYL GLUTARATE (CAS# 1501-27-5); (M+NA)+ Monomethyl glutaric acid 9170 MYO-INOSITOL (CAS# 87-89-8); (M+NA)+ Myo-inositol 46817 77726 39599 242103 61482 21547 136707 29746 41503 31721 10030 780681 742464 310341 446458 136470 164620 1275613 154941 416993 1058761 939058 67082 91781 70167 77246 34271 N6-(DELTA2-ISOPENTENYL)-ADENINE (CAS# 2365-40-4); (M+H)+ N6-Isopentenyladenine 88298 125908 327358 364485 101479 68774 572048 545150 115047 143493 157901 224146 672270 1000170 636118 103004 128786 505782 54944 70874 221612 197609 65222 71719 178550 81455 93662 81896 76144 151712 132312 173726 144802 31388 161615 140631 N6-(DELTA2-ISOPENTENYL)-ADENINE (CAS# 2365-40-4); (M+NA)+ N6-Isopentenyladenine 8547 52356 33131 5340 7977 N-ACETYL-D-GLUCOSAMINE (CAS# 7512-17-6); (2M+NA)+ N-Acetylglucosamine 21447 N-ACETYL-D-GLUCOSAMINE (CAS# 7512-17-6); (M+H)+ N-Acetylglucosamine 47420 64076 169546 45703 N-ACETYL-D-GLUCOSAMINE (CAS# 7512-17-6); (M+H)+[-H2O] N-Acetylglucosamine 115170 154370 14237 462490 109602 246608 20246 N-ACETYL-D-GLUCOSAMINE (CAS# 7512-17-6); (M+NA)+ N-Acetylglucosamine 67801 N-ACETYL-DL-GLUTAMIC ACID (CAS# 5817-08-3); (M+H)+ N-Acetylglutamic acid 91637 97724 55655 84135 28471 40217 24397 7541 4194 22620 45811 55116 13403 65641 72941 4705 13452 4371 N-ACETYL-DL-GLUTAMIC ACID (CAS# 5817-08-3); (M+H)+[-H2O] N-Acetylglutamic acid 9566 N-ACETYL-DL-GLUTAMIC ACID (CAS# 5817-08-3); (M+NA)+ N-Acetylglutamic acid 5005 N-ACETYL-DL-METHIONINE (CAS# 1115-47-5); (M+H)+ N-Acetylmethionine 103956 157747 39331 127577 34422 62994 100756 23560 17117 50334 125982 26424 30397 81877 1421 8431 48568 N-ACETYL-DL-METHIONINE (CAS# 1115-47-5); (M+H)+[-H2O] N-Acetylmethionine 30960 69671 23097 4637 5086 9201 2760 79491 21375 32798 13579 16828 8596 6362 13032 N-ACETYL-DL-METHIONINE (CAS# 1115-47-5); (M+NA)+ N-Acetylmethionine 119406 166277 61533 24679 92895 121612 61956 26087 24014 60949 50245 61999 60306 25917 15472 101134 14626 51213 54443 67119 139100 N-ACETYL-DL-SERINE (CAS# 97-14-3); (M+H)+ N-Acetylserine 110301 13512 439508 2253387 468534 931625 16585 40301 16720 49838 207885 827365 839490 N-ACETYL-DL-SERINE (CAS# 97-14-3); (M+H)+[-H2O] N-Acetylserine 297958 534686 244849 47553 268477 10818 3510 14723 214444 227603 N-ACETYL-DL-SERINE (CAS# 97-14-3); (M+NA)+ N-Acetylserine 7933 17934 6162 4745 36057 72710 41432 39702 24470 32218 6441 49118 59843 5073 N-ACETYL-D-MANNOSAMINE (CAS# 3615-17-6); (M+H)+ N-Acetyl-mannosamine 47420 64076 169546 45703 N-ACETYL-D-MANNOSAMINE (CAS# 3615-17-6); (M+NA)+ N-Acetyl-mannosamine 67801 N-ACETYL-D-TRYPTOPHAN (CAS# 2280-01-5); (M+H)+ N-Acetyl-D-tryptophan 70867 10022 10906 3163 18936 12950 12925 18412 27446 18291 46171 13845 32872 28909 N-ACETYL-D-TRYPTOPHAN (CAS# 2280-01-5); (M+NA)+ N-Acetyl-D-tryptophan 109249 124193 1317 144990 104439 29694 1559 46985 6915 2459 41215 N-ACETYLGALACTOSAMINE (CAS# 1811-31-0); (M+H)+ N-Acetylgalactosamine 47420 64076 169546 45703 N-ACETYLGALACTOSAMINE (CAS# 1811-31-0); (M+H)+[-H2O] N-Acetylgalactosamine 115170 154370 14237 462490 109602 246608 20246 N-ACETYLGALACTOSAMINE (CAS# 1811-31-0); (M+NA)+ N-Acetylgalactosamine 67801 N-ACETYL-L-ALANINE (CAS# 97-69-8); (M+H)+[-H2O] N-Acetylalanine 14209 2050 N-ACETYL-L-ALANINE (CAS# 97-69-8); (M+NA)+ N-Acetylalanine 96308 120142 44892 61968 4635 160374 246286 185760 147347 112148 N-ACETYL-L-ASPARTIC ACID (CAS# 997-55-7); (M+H)+[-H2O] N-Acetylaspartic acid 9388 N-ACETYL-L-CYSTEINE (CAS# 616-91-1); (M+NA)+ N-Acetylcysteine 1221 1937 2059 N-ACETYL-L-LEUCINE (CAS# 1188-21-2); (2M+NA)+ N-Acetylleucine 88410 82775 1081061 312179 40074 75698 96796 9579 4557 62758 7000 1594532 328183 57662 80086 219983 36827 139524 11763 N-ACETYL-L-LEUCINE (CAS# 1188-21-2); (M+H)+ N-Acetylleucine 963231 574396 3879039 1262457 147625 99381 373253 571333 636048 27594 26020 24843 70856 472101 165964 58913 655908 297438 71549 99531 61524 146998 207529 5657178 1473437 27948 112763 529620 431882 399291 77995 68984 63178 136548 1240096 485417 110530 999187 330712 N-ACETYL-L-LEUCINE (CAS# 1188-21-2); (M+NA)+ N-Acetylleucine 3388891 1961253 13300000 4464643 501860 284840 1261290 2153564 2305476 105222 18819 94454 300313 2025869 678965 244900 2741690 1220537 286497 210997 241225 336109 459056 14700000 4273673 477114 235690 1189273 1071881 1013105 338122 288630 267136 549940 5336325 2127201 468772 4151725 1427169 N-ACETYL-L-PHENYLALANINE (CAS# 2018-61-3); (M+H)+ N-Acetylphenylalanine 699801 95647 2615308 226200 74386 86772 521648 122104 15146 11231 8583 27166 489388 68425 631769 77945 27549 36420 23591 42650 58101 3254293 259614 1772 43820 68656 129467 87816 47241 27349 26244 46580 1164729 197269 52055 929571 116400 N-ACETYL-L-PHENYLALANINE (CAS# 2018-61-3); (M+NA)+ N-Acetylphenylalanine 1900339 227454 8042030 774925 194055 231548 1557419 327638 42837 25485 23639 56512 1281632 158034 73132 1777202 185999 54474 9471634 804851 114120 132551 107719 72553 62033 108333 3412640 515191 122671 2604750 283663 N-ACETYLNEURAMINATE (CAS# 131-48-6); (M+H)+ N-Acetylneuraminic acid 44097 69407 8690 74547 148857 2875 96482 90349 99871 5002 10246 N-ACETYLNEURAMINATE (CAS# 131-48-6); (M+NA)+ N-Acetylneuraminic acid 9610 8981 9514 9682 7748 N-ACETYLSEROTONIN (CAS# 1210-83-9); (2M+H)+ N-Acetylserotonin 44731 78633 83354 69300 86523 97686 68657 80084 115905 29342 N-ACETYLSEROTONIN (CAS# 1210-83-9); (2M+NA)+ N-Acetylserotonin 11903 9091 NAD (CAS# 53-84-9); (M+2H)+2 NAD 6486 NAD (CAS# 53-84-9); (M+H)+ NAD 548830 397387 537020 107036 64710 185398 233566 165872 704767 861295 1671013 353065 14818 73924 73044 83384 668288 118246 1309 17152 NAD (CAS# 53-84-9); (M+NA)+ NAD 13538 11570 20006 1471 3479 8099 22065 16643 22997 1746 17965 3393 N-ALPHA-ACETYL-L-ASPARAGINE (CAS# 4033-40-3); (M+H)+ N-Acetylasparagine 1625 N-ALPHA-ACETYL-L-LYSINE (CAS# 1946-82-3); (M+H)+ N(2)-Acetyllysine 82311 562053 158547 355639 322872 191773 NAPROXEN (CAS# 22204-53-1); (M+H)+ Naproxen 1184 1121 NAPROXEN (CAS# 22204-53-1); (M+NA)+ Naproxen 1102 1284 4411 3663 5534 6523 4052 N-BOC-D-GLUCOSAMINE (CAS# 75251-80-8); (2M+NA)+ Glucosamine 12612 N-CYCLOHEXYLFORMAMIDE (CAS# 766-93-8); (M+H)+ N-Cyclohexylformamide 54736 25427 16929 30681 23500 75946 23786 83914 63305 54754 39909 41703 38977 N-CYCLOHEXYLFORMAMIDE (CAS# 766-93-8); (M+NA)+ N-Cyclohexylformamide 33143 35342 29028 31217 144142 64153 45636 84029 50023 51257 41638 34967 54188 178472 152928 140735 85532 107964 95527 N-ETHYLMALEIMIDE (CAS# 128-53-0); (M+H)+ N-Ethylmaleimide 16862 NICOTINAMIDE (CAS# 98-92-0); (M+H)+ Niacinamide 257162 332085 444327 3213 264127 238254 542636 396873 195166 389634 650294 227725 170333 246026 NICOTINAMIDE MONONUCLEOTIDE (CAS# 1094-61-7); (M+NA)+ Nicotinamide ribotide 14620 24767 9196 12295 2941 15976 5742 4655 5940 27272 3412 1821 15393 6812 13023 6645 10586 NICOTINE (CAS# 54-11-5); (M+H)+ Nicotine 4431 15488 15150 15249 2760 19714 7713 11133 14812 42430 NICOTINIC ACID ADENINE DINUCLEOTIDE PHOSPHATE (CAS# 5502-96-5); (M+H)+ NAADP 2924 1378 NICOTINIC ACID ADENINE DINUCLEOTIDE PHOSPHATE (CAS# 5502-96-5); (M+NA)+ NAADP 6241 2918 4335 4019 2707 N-METHYL-D-ASPARTIC ACID (CAS# 6384-92-5); (M+H)+ N-Methyl-D-aspartic acid 13585 1176760 2253387 1671 816029 931625 16585 40301 16720 827365 828311 N-METHYL-D-ASPARTIC ACID (CAS# 6384-92-5); (M+NA)+ N-Methyl-D-aspartic acid 7933 17934 6162 4745 36057 72710 40498 39702 24470 32218 6441 49118 58800 5073 5867 N-METHYL-L-GLUTAMATE (CAS# 6753-62-4); (M+H)+[-H2O] N-Methyl-glutamic acid 71184 61063 13138 13839 38109 18517 9008 29765 32843 52933 61458 64327 51377 34207 67140 N-METHYLNICOTINATE (CAS# 535-83-1); (M+H)+ Trigonelline 87809 82259 29456 29649 7081 31432 30400 13314 N-METHYLTRYPTAMINE (CAS# 61-49-4); (M+NA)+ N-Methyltryptamine 1718 N-OLEOYLGLYCINE (CAS# 2601-90-3); (M+H)+ N-Oleoyl glycine 13201 26641 3976 N-OLEOYLGLYCINE (CAS# 2601-90-3); (M+NA)+ N-Oleoyl glycine 12335 6112 2031 6990 4510 NONANOATE (CAS# 112-05-0); (M+NA)+ Pelargonic acid 21610 34498 11949 11723 28523 38606 24522 9269 16970 4392 4468 4095 5587 13389 5206 1853 3223 2071 6770 4261 6885 NORADRENALINE (CAS# 51-41-2); (M+H)+ Xi-Norepinephrine 20642 NORADRENALINE (CAS# 51-41-2); (M+H)+[-H2O] Xi-Norepinephrine 2527752 3797442 66126 5539 2560702 3711717 235543 4552 9484 11314 4614703 NORLEUCINE (CAS# 327-57-1); (M+H)+ Norleucine 5095554 5184108 77500000 2706038 4350904 8191472 8358606 6039898 36100000 2336863 28000000 4986086 47900000 4150062 4117905 5182235 4909977 4406254 5155378 6336502 2539356 3506174 5142342 10600000 7708566 36900000 4933173 5610908 46100000 4335008 1282777 NORMETANEPHRINE (CAS# 0); (M+H)+ Normetanephrine 19680 33284 25191 11483 19020 23551 29816 17841 NORMETANEPHRINE (CAS# 0); (M+H)+[-H2O] Normetanephrine 47700000 52700000 62100000 57100000 55100000 59400000 62600000 65300000 73100000 69800000 78600000 89600000 72800000 72600000 3415406 80900000 80800000 76200000 74200000 80600000 76300000 NORVALINE (CAS# 6600-40-4); M+[-CO2H] Norvaline 20252 19233 37954 16207 17028 20207 2210 25922 64425 54988 96998 32521 41494 20498 42951 55521 12964 18553 41135 53152 12313 33787 37202 35633 21445 39398 17480 NORVALINE (CAS# 6600-40-4); (M+H)+ Norvaline 2869238 2506106 1629626 18900000 647922 17900000 70626 1875296 1882825 N(PAI)-METHYL-L-HISTIDINE (CAS# 332-80-9); (M+H)+ 3-Methylhistidine 50496 81978 10979 2997 1770 O-ACETYLCARNITINE (CAS# 461-77-8); (M+H)+ CAR 2:0 13033 55612 30867 301496 187901 62055 85004 112438 12425 64935 258785 OLEAMIDE (CAS# 301-02-0); (M+H)+ Oleamide 49944 98543 21585 14910 37901 41285 20748 OLEAMIDE (CAS# 301-02-0); (M+NA)+ Oleamide 641057 404600 340588 OLEIC ACID (CAS# 112-80-1); (M+H)+ Oleic acid 3513 7668 5897 1442 5032 3961 2620 2645 4708 4413 5920 3728 5010 6921 6536 3404 5690 5209 1827 3569 5975 7499 7977 6238 5524 4979 1460 8770 OLEIC ACID (CAS# 112-80-1); (M+NA)+ Oleic acid 323974 294428 233111 225799 474704 215194 228293 215398 113634 1219573 431232 336309 565145 320378 500752 606486 136782 364213 71046 144730 75494 1059788 129797 907747 76880 44029 1085790 1098036 70035 60484 84684 1150910 1149403 858825 856389 148371 1175386 1165813 144044 O-PHOSPHO-DL-SERINE (CAS# 17885-08-4); (2M+H)+ DL-O-Phosphoserine 1061 O-PHOSPHO-DL-SERINE (CAS# 17885-08-4); (2M+NA)+ DL-O-Phosphoserine 3376 O-PHOSPHO-DL-SERINE (CAS# 17885-08-4); (M+H)+ DL-O-Phosphoserine 2236 3294 4725 3984 1463 3039 4209 5463 O-PHOSPHO-DL-SERINE (CAS# 17885-08-4); (M+NA)+ DL-O-Phosphoserine 6742 6037 5900 1724 5345 4849 5409 8859 5554 9366 4919 2610 3117 O-PHOSPHOSERINE (CAS# 407-41-0); (M+H)+ DL-O-Phosphoserine 2236 3294 4725 3984 1463 3039 2484 4209 5463 O-PHOSPHOSERINE (CAS# 407-41-0); (M+NA)+ DL-O-Phosphoserine 6742 6037 5900 1724 5345 4849 9872 8859 5554 9366 4919 2610 3289 3117 OPHTHALMIC ACID (CAS# 495-27-2); (M+H)+ Ophthalmic acid 13928 13825 590265 694860 707691 262016 437725 1144462 729344 1196876 790530 764646 608527 405023 925404 460886 OROTATE (CAS# 65-86-1); (M+H)+ Orotic acid 27243 2141 O-SUCCINYL-L-HOMOSERINE (CAS# 1492-23-5); (M+H)+ o-Succinylhomoserine 24798 20211 21940 21101 20792 22432 7518 12615 3559 3729 20478 8113 33594 2163 11982 OXIDIZED GLUTATHIONE (CAS# 27025-41-8); (M+2H)+2 Oxidized glutathione 1672 1966 1717 7683507 2037 2282 12800000 1259 8897 OXIDIZED GLUTATHIONE (CAS# 27025-41-8); (M+H)+ Oxidized glutathione 2456 3485002 2616720 2503063 5581126 1391 11500000 11300000 9366879 8072633 8197746 11000000 PALATINOSE (CAS# 343336-76-5); (M+NA)+ Palatinose 1714 2189 4216 1977 239519 10394 12342 876051 835714 4069 3456 20349 6737 4300 619153 827992 2394 2714 PALMITOYLCARNITINE (CAS# 2364-67-2); (M+H)+ CAR 16:0 37422 49230 7068 1304 15598 6996 1226 8283 2113 2105 1590 2138 1886 1411 1925 1100 1777 PALMITOYLCARNITINE (CAS# 2364-67-2); (M+NA)+ CAR 16:0 4310 2848 PANTOTHENATE (CAS# 79-83-4); (M+H)+ Pantothenic acid 493618 533078 610704 483189 590495 485563 482913 862650 1015973 869310 1468770 870456 862615 1281127 769603 1379082 2335120 575824 2072283 678117 444247 677818 2628024 2464341 2474820 2827420 2879198 2216763 2657532 2522077 2707803 PANTOTHENATE (CAS# 79-83-4); (M+NA)+ Pantothenic acid 988909 1143404 1031407 970422 1063446 922964 1324264 870234 1261412 1627607 1531438 1627869 1527489 1402218 1698064 1339402 1812729 1321871 1800615 1309570 PARAXANTHINE (CAS# 611-59-6); (M+NA)+ Paraxanthine 26094 PHENETHYLAMINE (CAS# 64-04-0); (M+H)+ Phenylethylamine 742761 705645 779943 697797 12780 728401 2038 606839 18534 18655 29570 20400 14567 566574 567591 613345 604461 657202 629667 558004 19319 17026 10594 21336 28286 29490 19093 PHENYL ACETATE (CAS# 122-79-2); (M+H)+ Phenyl acetate 2159 1703 6809 PHENYLACETIC ACID (CAS# 103-82-2); (M+H)+ Phenylacetic acid 2159 1703 3226 PHENYLALANINE (CAS# 63-91-2); (M+H)+ Phenylalanine 47600000 52700000 62300000 56900000 55200000 59100000 62800000 65400000 73000000 69700000 11181 78600000 72200000 72600000 3415406 80400000 81200000 76200000 74200000 81200000 76700000 PHENYLALANINE (CAS# 63-91-2); (M+NA)+ Phenylalanine 434914 416549 734407 429368 290528 550944 551113 400532 443294 467968 398081 701333 560528 383564 628653 518541 340257 261989 331636 177629 338564 732066 335660 274749 384707 340012 376156 324172 338908 287106 411946 457717 567051 282014 517865 413762 PHENYLEPHRINE (CAS# 59-42-7); (M+H)+ Phenylephrine 30030 2738 32899 6196 PHENYLETHANOLAMINE (CAS# 7568-93-6); (M+H)+ 2-Hydroxyphenethylamine 2885 4872 PHENYLETHANOLAMINE (CAS# 7568-93-6); (M+H)+[-H2O] 2-Hydroxyphenethylamine 58425 24945 37319 68629 PHENYLHYDRAZINE (CAS# 100-63-0); (M+H)+ Phenylhydrazine 1226 PHTHALATE (CAS# 88-99-3); (M+H)+ Phthalic acid 3667 5215 4726 4290 2312 8868 2765 4446 9333 8091 11143 6571 7205 12166 8244 15178 13658 12638 PHTHALATE (CAS# 88-99-3); (M+NA)+ Phthalic acid 1004 7114 37584 49155 63013 52330 45142 59029 32515 72031 83339 80741 100794 93097 88778 124048 123455 118237 116738 112691 PINITOL (CAS# 10284-63-6); (M+NA)+ Pinitol 1400 PIPECOLATE (CAS# 535-75-1); (M+H)+ Pipecolic acid 345983 314709 511502 457005 511580 278430 415593 393525 329049 406886 186670 114163 152157 149058 150822 199573 122138 121830 509596 489704 616494 81497 606466 614818 39716 435328 736941 605539 698093 105994 100105 104191 124145 107281 116808 109584 106514 125002 PIPECOLATE (CAS# 535-75-1); (M+NA)+ Pipecolic acid 3523470 5637888 8810 7040319 5615 3762 4225 4293006 5040981 2803 488318 2364 14593 7041 3023229 8294 7214073 498298 4638 5119628 5895845 3152 2745202 PREGNENOLONE (CAS# 145-13-1); (M+H)+[-H2O] Pregnenolone 1033 PROCOLLAGEN 5-HYDROXY-L-LYSINE (CAS# 1190-94-9); (M+H)+ 2164 5686 3190 3616 2002 3447 1754 1323 3747 6279 5991 8323 7056 5321 6486 8120 4840 6690 2538 1534 1610 PROCOLLAGEN 5-HYDROXY-L-LYSINE (CAS# 1190-94-9); (M+NA)+ 4177 PROGESTERONE (CAS# 57-83-0); (M+H)+ Progesterone 3853 4911 2482 1320 4023 2701 4416 2578 1508 2288 PROLINE (CAS# 147-85-3); (M+H)+ Proline 26658 26274 25196 261796 30868 215367 11418 30391 809650 1015175 156353 48079 1380 106504 4746 2916 1419758 19621 1446453 121655 118977 10231 74823 428817 42313 526894 104483 139672 1343709 1457716 120791 96849 35969 1729 113041 13365 PROLINE (CAS# 147-85-3); (M+NA)+ Proline 3446 23788 22430 25793 8325 23489 48946 34364 4179 41860 12624 8138 9888 PROSTAGLANDIN E2 (CAS# 363-24-6); (M+H)+ PGE2 152723 245508 196684 296984 119327 250943 156270 85725 182668 3982 122075 102764 20738 259890 268023 321300 295505 318823 232725 366203 311426 263407 17974 24634 PROSTAGLANDIN E2 (CAS# 363-24-6); (M+H)+[-H2O] PGE2 2421 11822 5827 37513 29278 18360 2850 7859 63717 60098 23980 1070 2216 23927 36580 60609 37177 77547 56225 18009 22837 PROSTAGLANDIN E2 (CAS# 363-24-6); (M+NA)+ PGE2 6621 20228 79341 102560 97926 81237 30310 22635 9827 24150 26776 27024 26181 21310 16512 25215 31106 80429 PROTOPORPHYRIN (CAS# 553-12-8); (M+H)+ Protoporphyrin 19216 PTERIN (CAS# 2236-60-4); (M+H)+ Pterin 1819 3851 1281 PUTRESCINE (CAS# 110-60-1); (M+H)+ Putrescine 4676 6446 6661 6441 3299 1755 4102 6951 4400 6017 4879 1434 4599 1658 12519 1677 PUTRESCINE (CAS# 110-60-1); (M+NA)+ Putrescine 2445 3852 5704 PYRIDOXAL (CAS# 66-72-8); (M+H)+ Pyridoxal 3932 7768 6581 26538 5861 8092 9101 3930 12890 5276 5575 2750 PYRIDOXAMINE (CAS# 85-87-0); (M+H)+ Pyridoxamine 3479 1079490 6673 131980 116259 PYRIDOXINE (CAS# 65-23-6); (M+H)+ Pyridoxine 50915 154305 111052 156354 118690 20642 80284 3100 49229 QUINATE (CAS# 77-95-2); (M+NA)+ Quinic acid 106766 179072 QUINOLIN-2-OL (CAS# 59-31-4); (M+H)+ 2-Hydroxyquinoline 180091 203312 102108 8820 18223 16716 1065 32019 41174 21401 44096 33573 12940 13118 60697 62218 24883 23624 26033 22657 QUINOLIN-2-OL (CAS# 59-31-4); (M+NA)+ 2-Hydroxyquinoline 22094 80486 76408 26231 11265 23675 26353 27810 12407 22231 17847 39667 42038 20227 37764 38775 11511 9037 5159 10666 7108 3194 2546 14479 29073 20183 16508 21652 RAC-GLYCEROL 1-MYRISTATE (CAS# 75685-84-6); (M+H)+ MG 14:0 45003 9663 190746 291024 191663 RAC-GLYCEROL 1-MYRISTATE (CAS# 75685-84-6); (M+H)+[-H2O] MG 14:0 108740 194312 24318 2824 17462 16397 59160 88294 2600 36146 RAC-GLYCEROL 1-MYRISTATE (CAS# 75685-84-6); (M+NA)+ MG 14:0 160485 624720 116850 143735 625979 93977 370745 167387 391417 195999 467730 228668 993030 965317 547368 1154677 176429 146381 66124 76530 70037 114640 89603 46014 54839 112071 49319 46164 39794 34142 59537 90919 95075 45895 65291 149643 67205 70380 112766 RAFFINOSE (CAS# 512-69-6); (M+K)+ Raffinose 1674 2068 4365 24519 3540 3316 3896 4055 4039 RAFFINOSE (CAS# 512-69-6); (M+NA)+ Raffinose 25102 35383 50045 51354 19534 50384 49676 54765 37472 RIBITOL (CAS# 488-81-3); (M+H)+ Ribitol 25167 7010 5558 2482 3449 RIBOFLAVIN (CAS# 83-88-5); (2M+NA)+ Riboflavin 13662 246066 1595 53127 RIBOFLAVIN (CAS# 83-88-5); (M+H)+ Riboflavin 466992 644768 1010188 393590 149386 141857 1776263 108765 160353 609806 89814 216373 289685 258314 234219 126730 268947 192986 129002 RIBOFLAVIN (CAS# 83-88-5); (M+NA)+ Riboflavin 131136 388883 156695 153022 1329074 101190 142629 709006 100947 193524 416771 365366 334512 188046 367518 260334 205067 RIBOSE 5-PHOSPHATE (CAS# 4300-28-1); (M+NA)+ Ribose 5-phosphate 3159 2428 1965 1244 RIBOSE (CAS# 50-69-1); (M+NA)+ Ribose 113737 378852 358227 1037 6165 245062 313825 ROSMARINIC ACID (CAS# 20283-92-5); (2M+NA)+ Rosmarinic acid 1234 (S)-2-AMINO-3-(3-HYDOXY-4-OXO-4H-PYRIDIN-1-YL)PROPANOATE OR L-MIMOSINE (CAS# 500-44-7); (M+H)+ Mimosine 1489 (S)-2-AMINO-3-(3-HYDOXY-4-OXO-4H-PYRIDIN-1-YL)PROPANOATE OR L-MIMOSINE (CAS# 500-44-7); (M+NA)+ Mimosine 6054 S-ADENOSYL-L-HOMOCYSTEINE (CAS# 979-92-0); (M+H)+ S-Adenosylhomocysteine 2767 11528 S-ADENOSYLMETHIONINE (CAS# 29908-03-0); (M+H)+ S-Adenosylmethionine 14452 31913 4151 14108 14005 9534 8998 82759 6879 3342 40199 SALICYLURIC ACID (CAS# 487-54-7); (M+NA)+ Salicyluric acid 39886 125522 34202 86191 130272 34095 4978 2253 (-)-SALSOLINOL (CAS# 27740-96-1); (M+H)+ Salsolinol 2490 SARCOSINE (CAS# 107-97-1); (M+H)+ Sarcosine 49231 81254 13905 89567 3350 10219 56523 (S)-DIHYDROOROTATE (CAS# 5988-19-2); (M+H)+ 4,5-Dihydroorotic acid 2700 49002 6187 29010 SELENOCYSTAMINE (CAS# 2697-61-2); (M+H)+ Selenocystamine 4603 8435 2757 14416 SERINE (CAS# 56-45-1); (M+H)+ Serine 1953 31803 28426 34351 64580 62598 4915 56191 SEROTONIN (CAS# 50-67-9); (M+H)+ Serotonin 6264 SN-GLYCERO-3-PHOSPHOCHOLINE (CAS# 28319-77-9); (M+H)+ sn-Glycero-3-phosphocholine 6111 7211 13911 123229 45804 16355 29224 13494 2828 6659 29611 SPERMIDINE (CAS# 124-20-9); (M+H)+ Spermidine 380612 77687 59483 121169 1364155 25264 2797836 225399 513067 38392 57753 37149 121092 58882 140616 44474 285017 432204 2802448 2387402 2410001 348473 234643 417100 406087 359239 338142 275907 418919 307090 190879 323584 317587 229133 216612 207722 116575 209591 97672 SPERMIDINE (CAS# 124-20-9); (M+NA)+ Spermidine 2585 2427 SPERMINE (CAS# 71-44-3); (M+H)+ Spermine 1678 4237 7529 10099 9484 6763 17094 17266 13938 11914 9524 17379 9729 SPHINGANINE (CAS# 764-22-7); (M+H)+ Sphinganine 6401 3766 1375 1252 1810 2956 1642 1282 1357 1507 SPHINGOSINE (CAS# 123-78-4); (M+H)+ Sphingosine 17629 51652 5454 25829 17281 18904 7148 SPHINGOSINE (CAS# 123-78-4); (M+H)+[-H2O] Sphingosine 22074 STACHYOSE (CAS# 54261-98-2); (M+K)+ Stachyose 3716 2614 1762 2034 1539 10780 19620 2984 6911 13030 8655 3896 1693 22586 56312 63477 15805 STACHYOSE (CAS# 54261-98-2); (M+NA)+ Stachyose 8602 33784 7266 11343 49266 78299 7752 18649 39028 2741 3868 1257 2317 1427 1390 1956 4993 5468 SUBERIC ACID (CAS# 505-48-6); (M+H)+[-H2O] Suberic acid 4991 SUBERIC ACID (CAS# 505-48-6); (M+NA)+ Suberic acid 1392 22443 16968 10379 3500 8446 9283 18672 SUCROSE (CAS# 57-50-1); (M+NA)+ Sucrose 1714 2189 4216 1977 249917 10394 12342 876051 835714 4069 5931 24328 6737 6388 619153 827992 2394 2714 1854 TAURINE (CAS# 107-35-7); (M+K)+ Taurine 142062 TAUROCHOLATE (CAS# 81-24-3); (M+H)+[-H2O] Taurocholic acid 24944 20319 34836 28908 14500 22883 16220 19131 11799 12271 17467 13897 31995 10141 10081 11771 7151 6695 TAUROCHOLATE (CAS# 81-24-3); (M+NA)+ Taurocholic acid 1770 2775 1442 1270 2160 TAUROLITHOCHOLATE (CAS# 516-90-5); (2M+H)+ Taurolithocholic acid 33325 1175 TAUROLITHOCHOLATE (CAS# 516-90-5); (M+H)+ Taurolithocholic acid 30094 8588 20840 41275 3801 TAUROLITHOCHOLATE (CAS# 516-90-5); (M+H)+[-H2O] Taurolithocholic acid 23266 30402 5040 7649 TAUROLITHOCHOLATE (CAS# 516-90-5); (M+NA)+ Taurolithocholic acid 16302 2648 6147 THEOBROMINE (CAS# 83-67-0); (M+NA)+ Theobromine 17224 25269 16130 THEOPHYLLINE (CAS# 58-55-9); (M+NA)+ Theophylline 26094 THIAMIN (CAS# 59-43-8); M+ Thiamine 79064 169082 142079 THIAMIN (CAS# 59-43-8); M+[-C6H9NOS] Thiamine 32299 17745 15369 15794 12098 29434 20342 THIAMIN MONOPHOSPHATE (CAS# 532-40-1); (M+H)+ Thiamine monophosphate 12470 10701 14403 10431 THREONINE (CAS# 72-19-5); (M+H)+[-H2O] Threonine 108157 76791 34881 130120 24069 5321 115966 16334 32018 3865 12444 52230 53179 THROMBOXANE B2 (CAS# 54397-85-2); (M+H)+[-H2O] TXB2 152723 245508 196684 296984 119327 250943 156270 85725 182668 3982 122075 102764 20738 259890 268023 321300 295505 318823 232725 366203 311426 263407 17974 24634 THROMBOXANE B2 (CAS# 54397-85-2); (M+NA)+ TXB2 37301 56946 34141 57502 34940 11433 36266 16551 18913 40540 31936 49179 47507 88048 57526 33196 THYMIDINE (CAS# 50-89-5); (M+H)+ Thymidine 32238 30854 24359 43774 46013 69178 64543 53088 82564 86663 THYMINE (CAS# 65-71-4); (M+H)+ Thymine 26571 THYROTROPIN RELEASING HORMONE (CAS# 24305-27-9); (M+H)+ Thyrotropin releasing hormone 32804 106586 25213 51435 155230 220418 131259 26379 29424 44015 140714 217916 152588 37518 THYROTROPIN RELEASING HORMONE (CAS# 24305-27-9); (M+NA)+ Thyrotropin releasing hormone 14846 9333 39798 32919 34601 THYROXINE (CAS# 51-48-9); (M+H)+ Thyroxine 4004 1273 5111 3866 2353 2074 1874 2000 TRANS-3^-HYDROXYCOTININE (CAS# 34834-67-8); (M+H)+ trans-3-Hydroxycotinine 14020 TRANS-4-HYDROXYPROLINE (CAS# 51-35-4); (M+H)+ trans-4-Hydroxyproline 6330 TRICARBALLYLIC ACID (CAS# 99-14-9); (M+H)+[-H2O] 1,2,3-Propanetricarboxylic acid 120397 96669 247045 16238 43691 101969 TRIIODOTHYRONINE (CAS# 6893-02-3); (M+H)+ Liothyronine 19485 30165 39229 40732 31314 24106 TRIMETHYLAMINE (CAS# 75-50-3); (M+H)+ Trimethylamine 2116 3626 3187 TRYPTAMINE (CAS# 61-54-1); (M+H)+ Tryptamine 52137 36243 11811 16326 62716 103009 25920 26841 31861 3881 5790 36028 35070 45554 42653 42952 TRYPTOPHAN (CAS# 73-22-3); (M+H)+ Tryptophan 26000000 31500000 14500000 27900000 40200000 19700000 31800000 22500000 28100000 24900000 30800000 27400000 8071210 14071 40900000 30900000 37700000 28900000 15200000 27200000 35000000 36700000 42500000 27200000 30200000 41100000 40300000 38400000 43900000 40100000 TRYPTOPHAN (CAS# 73-22-3); (M+NA)+ Tryptophan 309871 448043 413354 279483 34429 17451 308206 91755 16307 294813 304810 272422 271383 236592 289186 TYRAMINE (CAS# 51-67-2); (M+H)+ Tyramine 1053096 5418 14457 4370 708193 1418 22705 7769 TYROSINE (CAS# 60-18-4); (M+H)+ Tyrosine 234924 14200000 13400000 17900000 11600000 37199 28091 19800000 25139 24108 TYROSINE (CAS# 60-18-4); (M+NA)+ Tyrosine 27935 36535 UDP-N-ACETYL-D-GALACTOSAMINE (CAS# ); (M+H)+[-H2O] UDP-N-acetylgalactosamine 4723 UDP-N-ACETYL-D-GALACTOSAMINE (CAS# ); (M+NA)+ UDP-N-acetylgalactosamine 1376 UDP-N-ACETYL-D-GLUCOSAMINE (CAS# 528-04-1); (M+H)+ UDP-N-acetylglucosamine 5691 UDP-N-ACETYL-D-GLUCOSAMINE (CAS# 528-04-1); (M+NA)+ UDP-N-acetylglucosamine 7669 1376 URACIL 5-CARBOXYLATE (CAS# 23945-44-0); (M+H)+ Uracil-5-carboxylic acid 27243 1320 URACIL 5-CARBOXYLATE (CAS# 23945-44-0); (M+H)+[-H2O] Uracil-5-carboxylic acid 6368 2310 URIDINE-5-MONOPHOSPHATE (CAS# 58-97-9); (2M+H)+ UMP 6269 7175 4773 4319 URIDINE-5-MONOPHOSPHATE (CAS# 58-97-9); (2M+NA)+ UMP 5338 7729 6535 4204 1673 2418 2262 2426 1670 URIDINE-5-MONOPHOSPHATE (CAS# 58-97-9); (M+H)+ UMP 59860 1280 3259 2407 UROCANATE (CAS# 104-98-3); (M+H)+ Urocanic acid 57586 14126 URSODIOL (CAS# 128-13-2); (M+NA)+ Ursodeoxycholic acid 41023 41763 63478 66169 54528 109993 42910 39745 41213 35190 38753 35893 29013 37292 45417 29752 44358 32407 34731 73173 30423 63733 73481 83302 72592 72073 73235 86436 72847 66955 32550 31662 32665 35192 36090 38100 33183 41418 28608 VALINE (CAS# 72-18-4); (M+H)+ Valine 2869238 2506106 18900000 647922 17900000 70626 1875296 1882825 VALINE (CAS# 72-18-4); (M+NA)+ Valine 38730 27271 3037 14300 30470 49664 43918 36119 21218 36882 42699 XANTHINE (CAS# 69-89-6); (M+H)+ Xanthine 1264179 1189702 621384 616886 46897 XANTHOSINE 5^-PHOSPHATE (CAS# 523-98-8); (M+H)+ XMP 13827 18423 15418 9433 17261 15719 13881 9435 XANTHOSINE (CAS# 146-80-5); (M+H)+ Xanthosine 15803 297918 38838 86790 91768 80651 48208 115214 340358 59405 115156 46908 82885 65270 119321 XANTHOSINE (CAS# 146-80-5); (M+NA)+ Xanthosine 3176 XANTHURENIC ACID (CAS# 59-00-7); (M+H)+ Xanthurenic acid 3943 ZEATIN [ISTD] (CAS# 13114-27-7); (M+H)+ trans-Zeatin 1199816 7038996 5219862 5280585 5618019 8382166 7740257 8463949 7258091 6296266 7021081 7101263 7614785 6770723 5730956 207739 4456392 6810359 5701248 6166212 7297001 6998894 6630423 7439272 7474300 7381622