Metabolite_name RefMet_name S00015175 S00015176 S00015177 S00015178 S00015179 S00015180 S00015181 S00015182 S00015183 S00015184 S00015185 S00015186 S00015187 S00015188 S00015189 S00015190 S00015191 S00015192 S00015193 Factors - DIET:HFWD DIET:HFWD DIET:HFWD DIET:HFWD DIET:HFWD DIET:HFWD DIET:HFWD DIET:HFWD DIET:HFWD DIET:HFWD DIET:HFWD + La/Ca DIET:HFWD + La/Ca DIET:HFWD + La/Ca DIET:HFWD + La/Ca DIET:HFWD + La/Ca DIET:HFWD + La/Ca DIET:HFWD + La/Ca DIET:HFWD + La/Ca DIET:HFWD + La/Ca 11-DEOXYCORTISOL (CAS# 152-58-9); (M+CL)- 11-Deoxycortisol 2196 1316 4383 2303 1374 4629 4538 5222 3231 3572 8305 2564 5759 11-DEOXYCORTISOL (CAS# 152-58-9); (M+HCOO)- 11-Deoxycortisol 34685 29933 13912 81058 10754 45547 22770 33810 74113 85051 86276 59260 72096 145574 58229 58555 120036 18951 17529 16:0-18:0 PC (CAS# 59403-51-9); (M+CL)- PC 16:0_18:0 2124 10126 5747 1689 1739 1780 3029 16:0-18:0 PC (CAS# 59403-51-9); (M+HCOO)- PC 16:0_18:0 27348 19122 17908 114961 24091 47910 19306 24511 23248 6968 25357 18308 11385 8912 13363 9124 42049 14072 10462 16:0 LYSO PC (CAS# 17364-16-8); (M+HCOO)- LPC 16:0 1267324 850614 1049602 2759034 1308223 1680866 1109618 923937 1022914 621106 984739 1182576 1057410 729979 918615 712917 985275 799190 701659 18:0 LYSO-PE (CAS# 69747-55-3); (M-H)- LPE 18:0 82130 37976 70318 417183 117191 200656 34076 42734 41208 14706 46790 93251 52942 34025 72736 33983 36223 52817 24133 1-METHYLADENOSINE (CAS# 15763-06-1); (M+CL)- 1-Methyladenosine 8503 5816 3805 4542 7176 1-OLEOYL-RAC-GLYCEROL (CAS# 111-03-5); (M+HCOO)- MG 18:1 7860 3193 11247 20814 6664 7789 5539 2783 5552 1856 2570 1134 24996 1798 1568 1440 20:0 LYSO PC (CAS# 108341-80-6); (M+CL)- LPC 20:0 2360 7152 5403 1608 1688 6042 3592 1516 20:0 LYSO PC (CAS# 108341-80-6); (M+HCOO)- LPC 20:0 1042 10860 10576 8328 4115 2322 11682 7005 7512 1883 24261 9845 2398 7645 9204 24:0 SM (D18:1/24:0) (CAS# 60037-60-7); (M+HCOO)- SM 18:1;O2/24:0 60761 22969 28262 337690 98683 88439 27027 97657 42135 14193 55410 25705 17117 2982 23812 4821 28190 45298 6276 2-AMINOETHYL DIHYDROGEN PHOSPHATE (CAS# 1071-23-4 ); (M-H)- Phosphoethanolamine 2677 3419 2470 2723 2260 2^-DEOXYCYTIDINE 5^-MONOPHOSPHATE (CAS# 1032-65-1); (2M-H)- dCMP 1937 5982 2-DEOXY-D-GLUCOSE (CAS# 154-17-6); (M+CL)- 2-Deoxy-glucose 43046 2^-DEOXYINOSINE (CAS# 890-38-0); (M-H)- Deoxyinosine 3912 14146 12959 2-HYDROXY-3-METHYLBUTYRIC ACID (CAS# 4026-18-0); (M-H)- 2-Hydroxy-3-methylbutyric acid 30499 177963 108006 443275 39340 293147 375154 57946 247898 618128 260782 184710 31153 11925 33606 11131 59009 96510 40474 2-HYDROXYBUTYRATE (CAS# ); (M-H)- 2-Hydroxybutyric acid 26351 59920 37719 71546 51530 47517 51194 47981 70095 75843 37284 20193 43146 42689 21206 41990 12687 42501 2-METHYLGLUTARIC ACID (CAS# 18069-17-5); (M-H)- 2-Methylglutaric acid 26481 25517 14410 22187 1414 30464 18231 33536 30447 32480 17220 34250 112603 34313 40342 36875 41151 12374 2-METHYLMALEATE (CAS# 498-23-7); (M-H)- Citraconic acid 32110 36132 41650 21635 53024 79987 35667 9736 51846 6302 10139 46719 2-OXOADIPATE (CAS# 3184-35-8); (M-H)- Oxoadipic acid 4512 2978 4307 7376 1514 3-(4-HYDROXYPHENYL)LACTATE (CAS# 6482-98-0); (M-H)- Hydroxyphenyllactic acid 219801 94406 110080 374041 221292 220543 245380 195845 243669 402737 157225 156886 130078 61374 191466 135000 164849 277787 119209 3BETA-HYDROXY-5ALPHA-PREGNAN-20-ONE (CAS# 516-55-2); (M+CL)-[-H2O] 3beta-Hydroxy-5alpha-pregnan-20-one 2186 5214 3BETA-HYDROXYANDROST-5-EN-17-ONE 3-SULFATE (CAS# ); (M-H)- Dehydroepiandrosterone sulfate 1219 3-HYDROXY-3-METHYLGLUTARATE (CAS# 503-49-1); (M-H)- 3-Hydroxymethylglutaric acid 30438 27794 16469 28839 94685 72876 31408 63780 44168 88622 126167 20009 94992 238284 115679 37334 103836 289191 22661 3-HYDROXYKYNURENINE (CAS# 2147-61-7); (M-H)- Hydroxykynurenine 16251 36410 9443 33505 8414 28411 32535 18547 11025 37015 30134 23990 15170 42677 3-HYDROXYPHENYLACETATE (CAS# 621-37-4); (M-H)- 3-Hydroxyphenylacetic acid 3610 3-HYDROXYPYRUVIC ACID (CAS# 1113-60-6); (M-H)- Hydroxypyruvic acid 20365 26040 45619 15706 15508 41994 26302 3-METHYGLUTARIC ACID (CAS# 626-51-7); (M-H)- Methylglutaric acid 26518 25589 14410 22187 17914 32093 18166 35992 30344 32549 17220 34250 112617 34183 40342 36875 43383 12471 3-METHYLADIPIC ACID (CAS# 3058-01-3); (M-H)- 3-Methyladipic acid 10828 7857 6434 12870 10095 16098 9387 25040 20575 13692 12132 8796 12428 11329 8704 10833 10121 12867 7573 3-UREIDOPROPIONIC ACID (CAS# 462-88-4); (M-H)- Ureidopropionic acid 9574 40862 17684 4-HYDROXYBENZOATE (CAS# 99-96-7); (M-H)- 4-Hydroxybenzoic acid 1993 2159 4-METHYL-2-OXOPENTANOATE (CAS# 816-66-0); (M-H)- Ketoleucine 6363 5361 2836 10925 15955 15043 41742 23296 20903 21301 68579 48967 5591 7146 9511 32230 41567 15547 4-METHYL-2-OXOVALERIC ACID (CAS# 816-66-0); (M-H)- Ketoleucine 6363 5361 4048 10925 15955 15043 41742 23296 20903 21301 68579 48967 5591 7146 9511 32230 41567 15547 4-NITROBENZOIC ACID (CAS# 62-23-7); (M-H)- 4-Nitrobenzoic acid 13799 26891 26334 18493 11844 28139 28928 30457 42708 27136 25218 27914 43692 34192 35760 24014 41056 31845 26298 4-NITROPHENOL (CAS# 100-02-7); (M-H)- 4-Nitrophenol 13823 12811 14976 13724 14852 17363 19782 16093 19341 16633 12982 15577 16002 14113 13322 12500 12340 18836 12502 4-PYRIDOXATE (CAS# 82-82-6); (M-H)- 4-Pyridoxic acid 213410 196722 152467 252661 270616 302517 116581 176312 107283 116683 455391 283453 363204 296004 213811 186405 236265 350398 158155 5-AMINOPENTANOATE (CAS# 660-88-8); (M-H)- 5-Aminopentanoic acid 471406 165556 238159 544449 533171 380724 225013 214646 73247 225624 329302 476284 295080 224499 628242 537589 199550 5^-DEOXYADENOSINE (CAS# 4754-39-6); (M+HCOO)- 5'-Deoxyadenosine 3347 11031 4011 13792 15194 21087 23537 5-HYDROXYINDOLEACETATE (CAS# 54-16-0); (M-H)- 5-Hydroxyindoleacetic acid 30732 5-METHYLTETRAHYDROFOLATE (CAS# 134-35-0); (M-H)- 5-Methyl-THF 1205 2771 1645 1732 1960 12133 5^-METHYLTHIOADENOSINE (CAS# 2457-80-9); (M+CL)- 5'-Methylthioadenosine 17123 17950 12206 27456 23634 29396 23975 26657 25287 35350 17064 17508 14101 15836 22044 18578 25366 48920 14308 5^-METHYLTHIOADENOSINE (CAS# 2457-80-9); (M+HCOO)- 5'-Methylthioadenosine 106952 110995 74241 178420 145344 188208 154760 165239 165917 225931 105375 117367 87779 93572 133460 117069 164475 313390 80937 5-OXOPROLINE (CAS# 4042-36-8); (M-H)- Pyroglutamic acid 1471540 1672595 895596 1001191 1173546 1110190 577374 1081264 1641753 1030290 1133549 1284408 1920198 2055688 1638221 810581 1210079 1594561 909501 5-VALEROLACTONE (CAS# 542-28-9); (M+HCOO)- 5-Valerolactone 4804 16889 10338 23956 14982 15484 33317 22345 18674 10152 8076 15042 21866 6-CARBOXYHEXANOATE (CAS# 111-16-0); (M-H)- Pimelic acid 10828 7857 6434 12870 10095 16098 9387 25040 20575 13692 12132 8796 12428 11329 8704 10833 10121 12867 7573 7-AMINOCEPHALOSPORANIC ACID (CAS# 957-68-6); (M-H)- 7-Aminocephalosporanic acid 3600 ACETOACETATE (CAS# 541-50-4); (M-H)- Acetoacetic acid 12536 5319 5268 1083 13721 10305 3306 6276 4038 13192 7210 9670 7937 7764 10809 5023 ADENOSINE 5^-MONOPHOSPHATE (CAS# 61-19-8); (2M-H)+ AMP 3506 17368 9038 15294 6103 10873 19586 10710 8834 6527 15111 ADENOSINE 5^-MONOPHOSPHATE (CAS# 61-19-8); (M-H)- AMP 360707 368566 539715 745433 599931 698412 399190 559387 723864 1178755 533361 324856 535469 334205 431853 643861 181441 612596 198199 ADENOSINE 5^-PHOSPHOSULFATE (CAS# 485-84-7); (M-H)- Adenosine phosphosulfate 1201 ADENOSINE (CAS# 58-61-7); (M+HCOO)- Adenosine 262653 343011 384492 537938 430027 507995 433871 379123 500572 299954 272522 278351 249026 248182 391163 203268 132023 126123 407595 ADIPIC ACID (CAS# 124-04-9 ); (M-H)- Adipic acid 26518 25589 14410 22187 17914 32093 18166 35992 30344 32549 17220 34250 112617 34183 40342 36875 43383 12471 ADP-RIBOSE (CAS# ); (M-H)- ADP-ribose 4814 1252 7836 11339 11015 9126 8452 12714 9515 15651 6638 3679 1943 ALLOSE (CAS# 2595-97-3); (M-H)+[-H2O] Allose 30438 27794 30113 28839 94430 48132 52522 63780 45736 88622 126167 20009 103586 241060 88020 37334 103836 287912 22661 ALPHA-D-GALACTOSE 1-PHOSPHATE (CAS# 2255-14-3); (M-H)- Galactose 1-phosphate 154023 82968 165274 182478 ALPHA-HYDROXYISOBUTYRIC ACID (CAS# 594-61-6); (M-H)- 2-Hydroxyisobutyric acid 26351 59920 37719 71546 51530 47517 51194 47981 70095 75843 37284 20193 43146 42689 21206 41990 12687 42501 ALPHA-LINOLENIC ACID (CAS# 463-40-1); (M+HCOO)- alpha-Linolenic acid 41767 46808 47702 76640 48857 62578 57095 39180 47738 41427 37386 59303 87029 43575 61917 57881 41532 48152 49248 ARABITOL (CAS# 7643-75-6); (M+CL)- Arabitol 4438 4507 6113 ARABITOL (CAS# 7643-75-6); (M+HCOO)- Arabitol 1227 ARACHIDONATE (CAS# 506-32-1); (M-H)- Arachidonic acid 2394956 1916185 1282041 2235243 1312577 1831725 734560 449461 659568 415508 1691733 1798024 1473148 1598542 2108420 1656392 746697 822715 1145379 ASPARAGINE (CAS# 70-47-3); (M-H)- Asparagine 9574 40862 17684 ASPARTATE (CAS# 56-84-8); (M-H)- Aspartic acid 1469 6744 4831 2844 4229 2129 2863 AZELAIC ACID (CAS# 123-99-9); (M-H)- Azelaic acid 113958 133633 86081 112471 113523 242586 193917 269624 341964 217681 204599 115547 182632 86850 89524 124686 116597 169560 77738 BETA-ALANINE (CAS# 107-95-9); (M-H)- beta-Alanine 6087 BETA-ALANYL-N(PAI)-METHYL-L-HISTIDINE (CAS# 584-85-0); (M-H)- Anserine 2014 BETA-MALTOSE (CAS# 69-79-4); (2M+CL)-[-H2O] Maltose 1493995 1207279 2168897 981634 1308907 1347703 818575 1001653 631922 612263 1509671 1652560 1642869 221360 1231241 1312360 1775850 1645902 2215852 BETA-MALTOSE (CAS# 69-79-4); (2M-H)-[-H2O] Maltose 190114 151481 327924 138500 159735 177751 96662 124237 232384 227890 309217 161498 190854 43906 286426 58075 BETA-MALTOSE (CAS# 69-79-4); (M+CL)- Maltose 5506705 7045535 4578939 5782764 3492137 4314316 7585903 9845439 7176013 5990399 8203398 8562291 BETA-MALTOSE (CAS# 69-79-4); (M+HCOO)- Maltose 92721 121751 166911 39143 BIOTIN (CAS# 58-85-5); (2M-H)- Biotin 1950 BIOTIN (CAS# 58-85-5); (M-H)- Biotin 2525 1534 2547 BIS-GAMMA-GLUTAMYLCYSTINE (CAS# 23052-19-9); (M-H)- Bis-gamma-glutamylcystine 3628 35636 2826 3434 19150 C12 GALACTOSYL(BETA) CERAMIDE (D18:1/12:0) (CAS# 41613-14-3); (M+CL)- 3212 1201 C12 GALACTOSYL(BETA) CERAMIDE (D18:1/12:0) (CAS# 41613-14-3); (M+HCOO)- 4632 2008 1804 3052 3019 1159 1644 4580 CAPRYLIC ACID (CAS# 124-07-2); (M-H)- Caprylic acid 6368 1662 CATECHOL (CAS# 120-80-9); (M-H)- Pyrocatechol 1297 CELLOBIOSE (CAS# 528-50-7); (M+CL)- Cellobiose 5506705 7045535 4578939 5779509 3492137 4314316 7585903 9845439 7176013 5990399 8203398 8562291 CHOLATE (CAS# 81-25-4); (2M-H)- Cholic acid 13385 2949 325496 10537 4763 CHOLATE (CAS# 81-25-4); (M+CL)- Cholic acid 8928 3011 2071 4287 43530 1537 8163 4765 CHOLATE (CAS# 81-25-4); (M-H)- Cholic acid 39818 101230 144808 153435 552640 144319 128686 35629 213235 2710479 149971 25186 508498 48544 102437 124406 12545 327189 24230 CHOLESTEROL HYDROGEN SULFATE (CAS# 1256-86-6); (M-H)- Cholesterol sulfate 9133 4318 CHOLINE PHOSPHATE (CAS# 107-73-3); (M+HCOO)- Choline phosphate 1928 1319 4073 CIS-11-EICOSENOIC ACID (CAS# 5561-99-9); (M-H)- cis-Gondoic acid 13209 2738 3652 45185 4433 23830 2652 1935 2294 6272 5116 4977 5092 3486 1828 1688 CIS-VACCENIC ACID (CAS# 506-17-2); (M-H)- cis-Vaccenic acid 317675 237112 205622 632281 228691 390973 162949 79481 77092 96292 145149 319865 370299 190775 356469 267566 98608 105380 125681 CIS-ZEATIN (CAS# 1637-39-4); (M+CL)- cis-Zeatin 205001 215438 209163 252042 231749 246027 271281 254196 258297 283401 222225 231143 203532 216952 219664 220868 207605 241008 216554 CIS-ZEATIN (CAS# 1637-39-4); (M-H)- cis-Zeatin 3748510 4174199 4216389 4745102 4493971 4711411 5013430 4867342 4962092 5265011 4188265 4281815 3960348 3968220 4046006 4135994 3978886 4776805 4256334 CITRAMALATE (CAS# 2306-22-1); (M-H)- Citramalic acid 1661 45884 70676 98727 CITRATE (CAS# 77-92-9); (M-H)- Citric acid 135320 162551 192741 227882 381170 314765 4526 134384 217014 184554 157875 CORTICOSTERONE (CAS# 50-22-6); (M+CL)- Corticosterone 2193 1787 3573 2396 1346 3396 4310 5176 3228 3573 8305 2653 5725 CORTICOSTERONE (CAS# 50-22-6); (M+HCOO)- Corticosterone 34734 29933 13912 81494 10785 45568 22901 33810 74316 85128 87226 59260 72096 145574 58349 59136 120036 18946 17529 CORTISONE (CAS# 53-06-5); (M+HCOO)- Cortisone 12937 CYCLOHEPTANECARBOXYLIC ACID (CAS# 1460-16-8); (M+HCOO)- Cycloheptanecarboxylic acid 113958 133633 86081 112479 113523 242586 193917 269624 341964 217681 206486 115547 182632 86850 89524 124686 116597 169560 77738 CYSTATHIONINE (CAS# 56-88-2); (M-H)- Cystathionine 29964 58416 37781 91563 28573 32733 81815 CYSTINE (CAS# 56-89-3); (M-H)- Cystine 3191 2864 1299 2381 1348 2012 2517 CYTIDINE 5^-DIPHOSPHOCHOLINE (CAS# 987-78-0); (2M-H)- CDP-choline 3019 2479 1884 2381 3080 2263 2138 3505 1907 1018 CYTIDINE 5^-DIPHOSPHOCHOLINE (CAS# 987-78-0); (M+CL)- CDP-choline 1063 CYTIDINE (CAS# 65-46-3); (M-H)- Cytidine 24332 42010 65331 202490 2737 47255 D-(-)-ARABINOSE (CAS# 10323-20-3); (M+HCOO)- Arabinose 84343 DEHYDROASCORBATE (CAS# 490-83-5); (M+CL)- Dehydroascorbic acid 51158 88442 33513 48650 73256 66538 54905 64080 18070 36033 121302 DEHYDROASCORBATE (CAS# 490-83-5); (M-H)- Dehydroascorbic acid 324542 DEHYDROASCORBATE (CAS# 490-83-5); (M+HCOO)- Dehydroascorbic acid 10675 10964 32274 15042 32256 54445 34265 29054 20315 20312 8320 24481 35092 23829 14631 DEOXYADENOSINE (CAS# 16373-93-6); (M-H)- Deoxyadenosine 1311 DEOXYCHOLIC ACID (CAS# 83-44-3); (M-H)- Deoxycholic acid 50461 35808 25006 25202 24349 DEOXYCYTIDINE (CAS# 951-77-9); (M-H)- Deoxycytidine 1472 1453 DEOXYCYTIDINE (CAS# 951-77-9); (M+HCOO)- Deoxycytidine 57071 59889 90920 76304 69776 57042 85167 166129 166300 48104 125672 84040 209911 60280 DEOXYURIDINE (CAS# 951-78-0); (M+CL)- Deoxyuridine 2026 4707 7742 DEOXYURIDINE (CAS# 951-78-0); (M-H)- Deoxyuridine 15854 26092 17668 15293 20570 14634 12619 DEOXYURIDINE (CAS# 951-78-0); (M+HCOO)- Deoxyuridine 19181 23061 7089 2125 8546 3224 48427 10370 6787 2042 DEPHOSPHO-COA (CAS# 3633-59-8); (M-H)- 3'-Dephospho-CoA 7792 4273 4936 4463 9578 5092 11010 1319 3176 9677 32638 4212 D-GALACTOSAMINE (CAS# 7535-00-4); (M+CL)- Galactosamine 39536 D-GLUCOSAMINE (CAS# 3416-24-8); (M+CL)- Glucosamine 39536 D-GLUCOSAMINE (CAS# 3416-24-8); (M-H)- Glucosamine 1360 D-GLUCOSE 6-PHOSPHATE (CAS# 56-73-5); (M-H)- Glucose 6-phosphate 154023 82968 165274 182478 DGMP (CAS# 902-04-5); (M-H)- dGMP 360707 368566 539715 80430 599931 87214 399190 65468 723864 1178755 533361 324856 74090 56397 58842 87969 33031 89881 25998 DIACETYL (CAS# 431-03-8); (M+HCOO)- Diacetyl 168300 90589 60577 177940 76013 110703 171455 87096 103409 220818 125129 53713 92356 88720 60842 84494 121608 91202 76029 DIHYDROXYMANDELIC ACID (CAS# 775-01-9); (M-H)- Dihydroxymandelic acid 1106 D-LYXOSE (CAS# 1114-34-7); (M+CL)- Lyxose 1452 27317 36073 D-LYXOSE (CAS# 1114-34-7); (M-H)- Lyxose 3152 1857 3093 4625 DOCOSAHEXAENOIC ACID (CAS# 6217-54-5 ); (M-H)- Docosahexaenoic acid 1399933 1347030 654769 1733784 847944 1221817 349765 153069 180768 181339 808015 1195519 1195576 2313792 1843984 1532502 336830 439762 476219 D-ORNITHINE (CAS# 348-66-3); (M-H)- D-Ornithine 3309 1037 1735 3582 2051 3349 1519 7812 9512 D-PSICOSE (CAS# 551-68-8); (M+CL)- Psicose 4752427 6882798 6767215 3310124 5107191 3565575 5639480 4253859 2590927 3424998 5524491 3790038 D-TAGATOSE (CAS# 87-81-0); (M+CL)- D-Tagatose 4752427 6882798 6767215 3310124 5107191 3565575 5639480 4253859 2590927 3424998 5524491 3790038 EDTA (CAS# 60-00-4); (M-H)- Edetic acid 30906 14493 1049 24837 85113 200778 ELAIDIC ACID (CAS# 112-79-8); (M-H)- Elaidic acid 319741 237112 205622 632281 228691 390973 162949 79481 77092 96292 145149 319865 370299 190775 356469 267566 98608 105380 125681 EPIBRASSINOLIDE [ISTD] (CAS# 78821-43-9); (M+CL)- 24-epi-Brassinolide 156698 205957 228838 256567 268038 251309 306311 308539 273101 317215 226492 214685 166572 180501 174067 205579 186643 248489 192147 EPIBRASSINOLIDE [ISTD] (CAS# 78821-43-9); (M+HCOO)- 24-epi-Brassinolide 4991962 6088230 6887460 7611610 7552777 7374232 8713928 8828774 8136743 9079004 6564366 6568165 4821952 5307119 5191675 5698970 5636918 7197878 5996914 ETHANOLAMINE PHOSPHATE (CAS# 1071-23-4); (M-H)- Phosphoethanolamine 1909 2095 3550 3222 2723 2282 ETHYLMALONIC ACID (CAS# 601-75-2); (M-H)- Ethylmalonic acid 41600 88386 24242 45135 14673 77817 42120 88708 55678 9569 21520 27108 61103 323519 32663 17684 48041 252119 20188 FRUCTOSE (CAS# 57-48-7); (M+CL)- Fructose 4752427 6882798 6767215 3310124 5107191 3565575 5639480 4253859 2590927 3424998 5524491 3790038 FRUCTOSE (CAS# 57-48-7); (M+HCOO)- Fructose 20741 17012 167452 11958 19146 172668 12561 19486 14178 8548 19289 200268 13057 202892 FUMARATE (CAS# 110-17-8); (2M-H)- Fumaric acid 4352 2366 FUMARATE (CAS# 110-17-8); (M-H)- Fumaric acid 12929 1361 68729 41858 30137 43602 80130 15140 143382 12300 GALACTURONIC ACID (CAS# 91510-62-2); (M-H)- Galacturonic acid 1329 1278 GAMMA-BUTYROLACTONE (CAS# 96-48-0); (M+HCOO)- gamma-Butyrolactone 168300 90589 60577 157394 76013 110703 171455 87096 103409 220818 125129 53713 92356 88720 60842 84494 121608 91202 76029 GAMMA-L-GLUTAMYL-L-CYSTEINE (CAS# 686-58-8); (M-H)- gamma-Glutamylcysteine 50280 31439 20722 44587 47630 33506 11559 46303 57491 23245 21537 19430 64255 34181 53402 57736 GAMMA-LINOLENIC ACID (CAS# 506-26-3); (M+HCOO)- gamma-Linolenic acid 41767 46808 47702 76879 48857 62578 57095 39180 47738 41427 37386 59184 87029 43575 61917 57881 41532 48152 47811 GIBBERELLIC ACID [ISTD] (CAS# 77-06-5); (2M-H)- Gibberellin A3 6772 9982 10398 16230 13767 14070 21071 20519 18184 27456 11373 11720 6616 8836 8603 10436 8511 19201 10257 GIBBERELLIC ACID [ISTD] (CAS# 77-06-5); (M+CL)- Gibberellin A3 8846 9506 10477 12616 10872 11730 16296 15644 13542 17109 10180 11406 7375 10714 9245 10874 10387 13797 10109 GIBBERELLIC ACID [ISTD] (CAS# 77-06-5); (M-H)- Gibberellin A3 437932 522624 541952 690666 629750 654885 796639 773271 762096 900165 563051 571464 437155 494878 487795 545265 487563 742227 530227 GLUCARIC ACID (CAS# 87-73-0); (M-H)+[-H2O] Glucaric acid 135320 277103 267807 192741 52887 463032 225560 381170 314319 143862 217136 302718 213331 256495 156403 GLUCONIC ACID (CAS# 526-95-4); (M-H)- Gluconic acid 84343 502795 GLUCOSE 1-PHOSPHATE (CAS# 59-56-3); (M-H)- Glucose 1-phosphate 154023 82968 165274 182478 GLUCOSE (CAS# 50-99-7); (M+CL)- Glucose 4752427 6882798 6767215 3310124 5107191 3565575 5639480 4253859 2590927 3424998 5524491 3790038 GLUCURONIC ACID (CAS# 6556-12-3); (M+CL)- Glucuronic acid 1747 GLUCURONIC ACID (CAS# 6556-12-3); (M-H)- Glucuronic acid 1329 1278 GLUTAMINE (CAS# 56-85-9); (M-H)- Glutamine 138511 235912 71896 172810 287750 98701 156972 GLUTARATE (CAS# 110-94-1); (M-H)- Glutaric acid 168300 90589 60577 157394 76013 110703 171455 87096 103409 220818 125129 53713 92356 88720 60842 84494 121608 91202 76029 GLUTATHIONE (CAS# 27025-41-8); (M-H)- Glutathione 1176785 1098581 848426 2478104 1291791 1997784 2029611 2128313 2747401 2980303 905506 491336 324196 1688956 1661847 2192168 1552276 5525002 749148 GLYCERALDEHYDE 3-PHOSPHATE DIETHYL ACETAL (CAS# 93965-35-6); (M-H)- Glyceraldehyde 3-phosphate diethyl acetal 1491 3199 GLYCERALDEHYDE (CAS# 367-47-5); (2M-H)-[-H2O] Glyceraldehyde 30438 27794 16469 45967 94685 47862 22405 63780 44168 88622 126167 20009 94992 238284 54149 37334 103836 289191 22661 GLYCEROL 2-PHOSPHATE (CAS# ); (M-H)- sn-Glycero-2-phosphate 87946 67311 47093 126260 78480 123638 262121 155101 49401 23254 148578 158630 186217 206563 103398 GLYCINE (CAS# 56-40-6); (M-H)- Glycine 6134 3311 2736 4568 4713 GLYCOCHOLATE (CAS# 475-31-0); (M-H)- Glycocholic acid 9710 10305 22321 14253 31651 4928 6254 11792 53919 35946 9351 310909 13927 30177 40409 6429 23462 6076 GUANINE (CAS# 73-40-5); (M-H)- Guanine 1820 GUANOSINE 5^-PHOSPHATE (CAS# 85-32-5); (M-H)- GMP 15901 GUANOSINE (CAS# 118-00-3); (M+CL)- Guanosine 1502 14525 17843 GUANOSINE (CAS# 118-00-3); (M-H)- Guanosine 139015 85875 199553 232177 220386 334734 304186 HEPTADECANOATE (CAS# 506-12-7); (M-H)- Margaric acid 2548 1405 3677 1659 2862 2452 1166 2673 1859 1124 2037 2048 2777 1633 3073 HOMOVANILLATE (CAS# 306-08-1); (M-H)- Homovanillic acid 4272 4624 3842 7355 2314 9239 7169 4988 3556 4279 6014 2227 HYODEOXYCHOLATE (CAS# 83-49-8); (M-H)- Hyodeoxycholic acid 307259 158039 446231 142857 219444 231913 274976 310645 979624 207813 133989 518760 424603 580004 162243 176263 304041 332740 371652 HYPOTAURINE (CAS# 300-84-5); (M-H)- Hypotaurine 2657 9250 1993 HYPOXANTHINE (CAS# 68-94-0); (M-H)- Hypoxanthine 2981242 2318085 1478085 1928189 2211574 2446252 2309555 1816287 1254935 3045930 2601687 2025082 3476211 2312026 2092418 4204274 4913584 2518809 INDICAN (CAS# 487-60-5); (2M+CL)-[-H2O] Indican 52322 INOSINE (CAS# 58-63-9); (M+CL)- Inosine 709633 580304 777883 967010 1077176 893443 660527 589488 697388 998902 736742 1059105 1118610 815633 INOSINE (CAS# 58-63-9); (M-H)- Inosine 18300000 12800000 11700000 17000000 15000000 18100000 22600000 24400000 13800000 15600000 22300000 19600000 17300000 17900000 23200000 19300000 29000000 30500000 24200000 ISOCITRATE (CAS# 320-77-4); (M-H)- Isocitric acid 135320 162551 192741 33589 227882 378346 314765 134384 217014 288224 157875 ISOLEUCINE (CAS# 73-32-5); (M-H)- Isoleucine 765926 757237 561670 798887 939193 826730 903217 960786 1012078 968183 786923 640117 814420 515627 416943 417376 1045721 1280771 834262 ITACONATE (CAS# 97-65-4); (M-H)- Itaconic acid 1979 8051 7286 8258 2329 5550 2453 3147 JASMONIC ACID [ISTD] (CAS# 77026-92-7); (2M-H)- Jasmonic acid 11545 15349 15952 30010 25202 27239 44528 44687 37700 55102 16205 17134 10401 13168 14182 15276 11516 41337 13803 JASMONIC ACID [ISTD] (CAS# 77026-92-7); (M-H)- Jasmonic acid 1470294 1664301 1740703 2258820 2004100 2219833 2587473 2562039 2495501 2896905 1754366 1815924 1478715 1548725 1649122 1708384 1484895 2485710 1699163 L-[15N]ANTHRANILIC ACID [ISTD] (CAS# ); (M-H)- 2-Aminobenzoic acid 162671 171089 208567 193376 214332 216175 184656 176132 123328 155635 134220 147362 166831 156617 LACTOSE (CAS# 63-42-3); (M+CL)- Lactose 5506705 7045535 4578939 5782764 3492137 4314316 7601163 9845439 7176013 5990399 8203398 8562291 LACTOSE (CAS# 63-42-3); (M-H)- Lactose 146284 80698 147814 54221 95711 134484 141112 238826 150127 286978 181263 LANTHIONINE (CAS# 3183-08-2); (M-H)- Lanthionine 15070 9410 22773 25219 40300 11095 6493 18753 42628 42681 20572 L-ARGININE (CAS# 74-79-3); (M-H)- Arginine 1483 2029 LEUCINE (CAS# 328-39-2); (M-H)- Leucine 765926 757237 561670 798887 939193 826730 904449 960786 1012078 968183 786923 640117 814420 515627 416943 417376 1046126 1280771 834262 LEUKOTRIENE B4 (CAS# 71160-24-2); (M-H)- LTB4 4464 3511 4651 3962 3850 4812 6578 3528 8859 2127 9407 3973 2366 L-GULONATE (CAS# 6322-07-2); (M-H)+[-H2O] Gulonic acid 2502 1298 1181 4290 1791 L-HISTIDINE (CAS# 71-00-1); (M-H)- Histidine 112956 103864 108208 101206 126215 102413 115954 131751 113172 150651 113430 96496 93018 119199 79895 84979 154721 165016 137763 LINOLEATE (CAS# 60-33-3); (M-H)- Linoleic acid 323046 473608 282390 367415 306637 373830 203668 105095 114613 154364 227670 385865 521145 406344 758042 642494 141513 203566 211767 L-METHIONINE SULFOXIMINE (CAS# 15985-39-4); (M-H)- Methionine sulfoximine 200731 147476 L-ORNITHINE (CAS# 70-26-8); (M-H)- Ornithine 3309 1037 1735 3582 2051 3349 1519 7812 9512 L-RHAMNOSE (CAS# 10030-85-0); (M+CL)- Rhamnose 43046 L-RHAMNOSE (CAS# 10030-85-0); (M-H)- Rhamnose 1839 2752 1469 5780 1458 1426 1669 L-TRYPTOPHAN-15N2 [ISTD] (CAS# ); (M-H)- Tryptophan 80945 104320 107536 116604 119278 122083 146870 137697 150703 161932 108580 117847 83387 97984 90893 102495 93431 129648 100446 LUMICHROME (CAS# 1086-80-2); (M-H)- Lumichrome 6638 4981 3198 10723 8837 10412 8157 10155 4347 6354 4723 4705 9452 4614 7742 5395 13299 8834 LYSINE (CAS# 56-87-1); (M-H)- Lysine 7004 5440 3227 5482 4283 5133 5221 6511 5039 4664 9699 5420 10230 7490 4058 4273 20069 26945 6890 MALATE (CAS# 97-67-6); (M-H)- Malic acid 104799 134912 106274 113184 122395 320045 600316 477330 237822 162373 386597 96033 406286 2366908 70516 MALATE (CAS# 97-67-6); (M-H)+[-H2O] Malic acid 107145 113142 38926 114375 22932 58935 85220 177908 163014 77629 362913 84606 197932 234592 37979 MALEAMATE (CAS# 557-24-4); (M-H)- Maleamate 3302 22983 24364 46048 8794 24208 4579 4358 8759 32099 12798 MALEIC ACID (CAS# 110-16-7); (M-H)- Maleic acid 12929 39845 1361 24881 71153 41858 30137 43602 80130 15140 143382 12300 MALONATE (CAS# 141-82-2); (M-H)- Malonic acid 20365 26040 26907 15706 15508 41113 26302 MALONIC ACID-D4 (CAS# 813-56-9); (M-H)- Malonic acid 20365 26040 26907 15706 15508 38457 26302 MALTOSE (CAS# 69-79-4); (M+CL)- Maltose 5506705 7045535 4578939 5782764 3492137 4314316 7601163 9845439 7176013 5990399 8203398 8562291 MALTOSE (CAS# 69-79-4); (M+HCOO)- Maltose 92721 121751 166911 39143 MANDELIC ACID (CAS# 611-71-2); (M-H)- Mandelic acid 1292 4984 4006 2013 1931 4157 2611 2474 2232 5030 3141 MANNOSE-6-PHOSPHATE (CAS# 3672-15-9); (M-H)- Mannose 6-phosphate 154023 82968 165274 182478 MELIBIOSE (CAS# 585-99-9); (M+CL)- Melibiose 5506705 7045535 4578939 5782764 3492137 4314316 7601163 9845439 7176013 5990399 8203398 8562291 MELIBIOSE (CAS# 585-99-9); (M+HCOO)- Melibiose 92721 121751 166911 39143 METHIONINE (CAS# 63-68-3); (M-H)- Methionine 190439 95392 128784 123144 99092 77671 189507 158081 36977 111489 307036 434643 METHYL BETA-D-GALACTOSIDE (CAS# 1824-94-8); (M+CL)- Methyl beta-D-galactoside 9365 30165 33509 10132 11936 24995 25674 10668 METHYL BETA-D-GALACTOSIDE (CAS# 1824-94-8); (M+HCOO)- Methyl beta-D-galactoside 5078 1282 METHYLMALONATE (CAS# 516-05-2); (M-H)- Methylmalonic acid 5732843 5140893 4939788 8456226 7908142 7840641 3912802 6115003 5654694 8461910 4139997 3188476 3022366 6232966 6661542 7526767 3674316 4008655 2852964 MONO-METHYL GLUTARATE (CAS# 1501-27-5); (M-H)- Monomethyl glutaric acid 26518 25589 14410 22243 17914 32093 18166 35992 31888 32514 17220 34252 113093 34183 40342 36875 43383 12471 MYRISTIC ACID (CAS# 544-63-8); (M-H)- Myristic acid 13735 11827 14787 20064 14496 18834 14104 6854 11465 9836 9819 20881 21492 8123 17705 16270 6206 8298 9683 MYRISTOLEIC ACID (CAS# 544-64-9); (M-H)- Myristoleic acid 1512 1190 4183 1762 1211 4686 1702 4751 4299 2190 1487 N-ACETYL-DL-METHIONINE (CAS# 1115-47-5); (M-H)- N-Acetylmethionine 318984 276489 133525 316424 260663 321340 323555 440598 369318 405050 222539 209772 163215 326486 202118 261072 335765 553427 157422 N-ACETYL-D-TRYPTOPHAN (CAS# 2280-01-5); (M-H)- N-Acetyl-D-tryptophan 5198 8154 16023 11085 15334 19206 8714 21234 8743 8022 2538 N-ACETYL-L-ALANINE (CAS# 97-69-8); (M-H)- N-Acetylalanine 346905 176384 309528 324913 294556 402352 380367 297665 581929 375209 427271 464982 1260223 325648 N-ACETYL-L-ASPARTIC ACID (CAS# 997-55-7); (M-H)- N-Acetylaspartic acid 13829 34533 20329 N-ACETYL-L-CYSTEINE (CAS# 616-91-1); (M-H)- N-Acetylcysteine 2449 N-ACETYL-L-LEUCINE (CAS# 1188-21-2); (M-H)- N-Acetylleucine 69190 71663 104836 230542 248604 181727 235569 235107 370491 582104 64963 99057 75910 34885 89760 127681 88917 166942 81741 N-ACETYL-L-PHENYLALANINE (CAS# 2018-61-3); (M-H)- N-Acetylphenylalanine 8896 14996 32529 102095 61044 71257 83499 134576 62828 109202 42822 31723 26321 13448 41962 35324 21554 58768 13515 N-ACETYLNEURAMINATE (CAS# 131-48-6); (M-H)- N-Acetylneuraminic acid 2076 5149 2816 48341 78040 3573 NAD (CAS# 53-84-9); (M-H)- NAD 1318 5347 7911 6287 1621 1774 1852 N-AMIDINO-L-ASPARTATE (CAS# 6133-30-8); (M+CL)- Guanidinosuccinic acid 2245 NERVONIC ACID (CAS# 506-37-6); (M-H)- Nervonic acid 1089 NICOTINAMIDE HYPOXANTHINE DINUCLEOTIDE (CAS# 22052-73-9); (M-H)- Nicotinamide purin-6-ol-dinucleotide 4559 NICOTINATE (CAS# 59-67-6); (M-H)- Nicotinic acid 188426 200249 24719 116113 72015 113957 214135 119968 166832 121849 110857 198472 18290 N-NITROSODIETHANOLAMINE (CAS# 1116-54-7); (M+CL)- N-Nitrosodiethanolamine 3447 N-OLEOYLGLYCINE (CAS# 2601-90-3); (2M-H)- N-Oleoyl glycine 1008 N-OLEOYLGLYCINE (CAS# 2601-90-3); (M-H)- N-Oleoyl glycine 5896 3034 3353 7158 3469 6677 1702 1567 1127 4656 5631 4459 5675 4298 1922 2190 2104 NORLEUCINE (CAS# 327-57-1); (M-H)- Norleucine 765926 757237 561670 798887 939193 826730 904496 960786 1012078 968183 786923 640117 814420 515627 416943 417376 1048538 1280771 834262 OLEIC ACID (CAS# 112-80-1); (M-H)- Oleic acid 319741 237112 205622 635669 228691 390973 162949 79481 77092 96292 145149 319865 370299 192398 356469 267566 98541 105380 125681 OPHTHALMIC ACID (CAS# 495-27-2); (M-H)- Ophthalmic acid 300109 OROTATE (CAS# 65-86-1); (M-H)- Orotic acid 30965 23741 21598 27435 O-SUCCINYL-L-HOMOSERINE (CAS# 1492-23-5); (M-H)- o-Succinylhomoserine 5911 OXIDIZED GLUTATHIONE (CAS# 27025-41-8); (M-2H)-2 Oxidized glutathione 11138 OXIDIZED GLUTATHIONE (CAS# 27025-41-8); (M-H)- Oxidized glutathione 1176785 1098641 848426 2477452 1291791 1997784 2029485 2127982 2747348 2978772 905495 491285 324196 1688870 1661782 2191635 1552276 5524992 749020 P-ACETAMIDOPHENYL BETA-D-GLUCURONIDE (CAS# 120595-80-4); (2M-H)- p-Acetamidophenylglucuronide 1302 P-ACETAMIDOPHENYL BETA-D-GLUCURONIDE (CAS# 120595-80-4); (M-H)- p-Acetamidophenylglucuronide 1130 PALATINOSE (CAS# 343336-76-5); (M+CL)- Palatinose 5506705 7045535 4578939 5782764 3492137 4314316 7585903 9845439 7176013 5990399 8203398 8562291 PALATINOSE (CAS# 343336-76-5); (M+HCOO)- Palatinose 92721 121751 166911 39143 PALMITATE (CAS# 57-10-3); (M-H)- Palmitic acid 66102 60927 60705 118881 59164 83366 71434 37762 41763 47374 41808 71626 165243 57656 88712 74903 43291 49159 57659 PALMITOLEIC ACID (CAS# 373-49-9); (M-H)- Palmitoleic acid 88021 79103 116245 200577 99579 172272 92145 28511 26162 42434 61421 221217 186422 67052 172607 136460 36035 49624 72891 PANTOTHENATE (CAS# 79-83-4); (M+CL)- Pantothenic acid 7649 17311 12559 13623 9098 7811 17361 13089 10837 16667 18331 15651 24119 7777 PANTOTHENATE (CAS# 79-83-4); (M-H)- Pantothenic acid 922366 876436 797912 2006987 1521236 1619730 408315 948450 646038 913143 2099327 1490780 1357665 1970583 2315788 1722242 1027720 2855397 978237 PARAXANTHINE (CAS# 611-59-6); (M-H)- Paraxanthine 6113 40951 6339 21546 58652 3869 6770 18996 PENTANOATE (CAS# 109-52-4); (M+HCOO)- Valeric acid 10033 7109 8833 PHENYL ACETATE (CAS# 122-79-2); (M-H)- Phenyl acetate 16769 13273 27462 14980 17792 14690 15021 20979 28447 13066 11822 13232 16045 9938 15693 21454 12128 PHENYL ACETATE (CAS# 122-79-2); (M+HCOO)- Phenyl acetate 219801 94406 110080 374041 221292 220543 245380 195845 243669 402737 157225 156886 130078 61374 191466 135000 164849 277787 119209 PHENYLACETIC ACID (CAS# 103-82-2); (M+HCOO)- Phenylacetic acid 3842 3556 4279 6014 2227 PHENYLALANINE (CAS# 63-91-2); (M-H)- Phenylalanine 1564082 1259468 792413 1545919 1445440 1480160 1832486 2273172 1793710 1730767 2098228 1384154 1509557 1550060 1125842 1041736 3537104 5298454 1704138 PHENYLPYRUVATE (CAS# 156-06-9); (M-H)- Phenylpyruvic acid 1045 PHOSPHOCREATINE (CAS# 67-07-2); (M-H)- Phosphocreatine 2199 1241 1464 1023 1406 PICOLINIC ACID (CAS# 98-98-6); (M-H)- Picolinic acid 188426 184321 117477 4899 113365 24057 71964 115354 214134 119968 166899 121930 105227 197403 PINITOL (CAS# 10284-63-6); (M+CL)- Pinitol 9319 30165 33509 10132 11936 24995 25674 9164 PROPENOATE (CAS# 79-10-7); (M-H)- Acrylic acid 12348 15834 PROSTAGLANDIN E2 (CAS# 363-24-6); (M+CL)- PGE2 5049 1462 PROSTAGLANDIN E2 (CAS# 363-24-6); (M-H)- PGE2 1960 14498 2147 10583 7081 9111 3726 7753 25496 14035 3373 9733 12843 3364 PROSTAGLANDIN E2 (CAS# 363-24-6); (M-H)-[-H2O] PGE2 3638 1545 6288 1600 1453 PTERIN (CAS# 2236-60-4); (M-H)- Pterin 3021 PURINE (CAS# 120-73-0); (M-H)- Purine 5178 PYRIDOXAL PHOSPHATE (CAS# 853645-22-4); (2M-H)+ Pyridoxal 5'-phosphate 2492 PYRUVATE (CAS# 127-17-3); (M-H)- Pyruvic acid 1581 26911 2420 1590 15442 1107 30063 RAFFINOSE (CAS# 512-69-6); (M+CL)- Raffinose 4641987 4133995 6179594 3290383 4336999 4198510 2993036 3918948 2444839 2600561 5209540 5619207 6833458 1090432 4310602 4850405 5665990 5823715 7318365 RAFFINOSE (CAS# 512-69-6); (M+HCOO)- Raffinose 141503 103845 228902 95741 115325 114276 69535 99172 56584 69497 172857 273153 298536 119592 149808 209521 209476 274881 RESORCINOL MONOACETATE (CAS# 102-29-4); (M-H)- Resorcinol monoacetate 3610 RETINOATE (CAS# 302-79-4); (M-H)- Retinoic acid 21056 25252 20947 15702 30091 7491 15148 13810 13054 29128 16010 30876 23195 23625 12753 15515 RIBITOL (CAS# 488-81-3); (M+CL)- Ribitol 4438 4507 6113 RIBOFLAVIN (CAS# 83-88-5); (M+CL)- Riboflavin 1110 3007 RIBOFLAVIN (CAS# 83-88-5); (M-H)- Riboflavin 9182 4646 2294 5986 8038 9423 6805 17444 8014 10145 16266 9197 11323 17139 13090 11157 18881 49729 5385 RIBOFLAVIN (CAS# 83-88-5); (M+HCOO)- Riboflavin 9163 5118 3811 6681 7423 10286 8081 19843 9585 11760 16214 10295 11734 17841 13224 13213 20698 53210 5060 RIBOSE (CAS# 50-69-1); (M+CL)- Ribose 1452 25625 33811 (S)-2-AMINO-3-(3-HYDOXY-4-OXO-4H-PYRIDIN-1-YL)PROPANOATE OR L-MIMOSINE (CAS# 500-44-7); (M-H)- Mimosine 8040 4757 1663 (S)-3-METHYL-2-OXOPENTANOATE (CAS# 1460-34-0); (M-H)- 3-Methyl-2-oxovaleric acid 7219 8975 8012 27503 16611 12968 12881 2812 S-ADENOSYL-L-HOMOCYSTEINE (CAS# 979-92-0); (M-H)- S-Adenosylhomocysteine 81999 56265 171656 98771 102999 159539 152940 134736 85881 112713 83268 114022 146351 131634 449974 90225 SALICYLATE (CAS# 69-72-7); (M-H)- Salicylic acid 8836 12321 20251 19450 16579 50180 34496 45859 (S)-DIHYDROOROTATE (CAS# 5988-19-2); (M-H)- 4,5-Dihydroorotic acid 59939 29619 56491 2216 2414 SEBACIC ACID (CAS# 111-20-6); (M-H)- Sebacic acid 8547 8417 5786 10345 8752 16217 13790 11020 17586 11059 9687 7721 10647 10499 9746 8986 8430 11657 6302 SERINE (CAS# 56-45-1); (M-H)- Serine 12845 5827 6240 4428 2992 3089 3468 3515 4456 4892 6947 7011 7434 3804 3356 8530 6231 5134 SN-GLYCERO-3-PHOSPHOCHOLINE (CAS# 28319-77-9); (M+CL)- sn-Glycero-3-phosphocholine 64411 168799 105489 SN-GLYCERO-3-PHOSPHOCHOLINE (CAS# 28319-77-9); (M+HCOO)- sn-Glycero-3-phosphocholine 1972 1422 STACHYOSE (CAS# 54261-98-2); (M+CL)- Stachyose 1493995 1207279 2168897 981634 1308907 1347703 821463 1001653 631922 612263 1509671 1652560 1642869 221360 1231241 1312360 1775850 1645902 2215852 STACHYOSE (CAS# 54261-98-2); (M-H)- Stachyose 189935 151481 64040 138500 159735 177751 96662 124237 71995 85320 232384 49575 56131 27084 161498 190854 40384 286426 58075 STACHYOSE (CAS# 54261-98-2); (M+HCOO)- Stachyose 36047 60231 26095 30180 19149 44483 60277 4608 33514 38391 52616 72804 STEARATE (CAS# 57-11-4); (M-H)- Stearic acid 64084 37241 32051 80553 33279 53307 40963 20703 36281 33575 25069 40720 38734 48327 44203 42483 20921 25884 29904 SUBERIC ACID (CAS# 505-48-6); (M-H)- Suberic acid 35190 30395 38470 27050 60320 35478 62594 88504 53992 41945 29266 43492 47500 38186 35048 39223 SUCCINATE (CAS# 110-15-6); (M-H)- Succinic acid 5732843 5140893 4951247 8440495 7904613 7884397 3912802 6150537 5672633 8469251 4139997 3188476 3022366 6232966 6649709 7529291 3674316 3983434 2852964 SUCROSE (CAS# 57-50-1); (M+CL)- Sucrose 5506705 7045535 4578939 5782764 3492137 4314316 7585903 9845439 7176013 5990399 8203398 8562291 SUCROSE (CAS# 57-50-1); (M+HCOO)- Sucrose 92721 121751 166911 39143 TAURINE (CAS# 107-35-7); (M-H)- Taurine 1097665 2004634 1362129 1183411 1532233 1661974 1559341 1950652 2058058 1923016 1680069 TAUROLITHOCHOLATE (CAS# 516-90-5); (M-H)- Taurolithocholic acid 48002 33136 24356 99018 65901 35134 64961 24778 58180 29134 52340 24425 85700 72885 29235 86178 50978 THEOPHYLLINE (CAS# 58-55-9); (M-H)- Theophylline 6077 32802 6250 10294 3864 19013 THROMBOXANE B2 (CAS# 54397-85-2); (M-H)- TXB2 4837 7178 4164 68822 19999 1567 THROMBOXANE B2 (CAS# 54397-85-2); (M-H)-[-H2O] TXB2 1960 14498 2147 10583 7081 9111 3726 7753 25496 14035 3373 9733 12843 3364 THYMIDINE (CAS# 50-89-5); (M+CL)- Thymidine 11209 THYMIDINE (CAS# 50-89-5); (M-H)- Thymidine 13189 16731 3691 8460 11282 13565 10849 24004 15954 11093 15177 8872 6643 12305 12970 THYMIDINE (CAS# 50-89-5); (M+HCOO)- Thymidine 15532 26248 17356 18645 31513 21721 16599 9293 24364 12794 10918 15693 3961 TRANS-ACONITATE (CAS# 4023-65-8); (M-H)- trans-Aconitic acid 324542 TRANS-VACCENIC ACID (CAS# 693-72-1); (M-H)- trans-Vaccenic acid 319741 237112 205622 635669 228691 390973 162949 79481 77092 96292 145149 319865 370299 192398 356469 267566 98541 105380 125681 TRICARBALLYLIC ACID (CAS# 99-14-9); (M-H)- 1,2,3-Propanetricarboxylic acid 44378 16585 16628 31033 79679 25267 TRICARBALLYLIC ACID (CAS# 99-14-9); (M-H)-[-H2O] 1,2,3-Propanetricarboxylic acid 90499 117174 53495 93907 111037 53607 63568 48298 118491 53374 26931 114357 TRYPTOPHAN (CAS# 73-22-3); (M-H)- Tryptophan 455950 549368 604225 549874 452121 391943 410459 844273 1189360 TYROSINE (CAS# 60-18-4); (M-H)- Tyrosine 481200 393982 331091 259141 240338 364010 468956 438728 357060 304689 536778 447456 253855 206474 162203 708883 884250 449602 UDP-GALACTOSE (CAS# 2956-16-3); (M-H)- UDP-galactose 11547 43638 23606 12778 11239 24295 89170 UDP-N-ACETYL-D-GLUCOSAMINE (CAS# 528-04-1); (M-H)- UDP-N-acetylglucosamine 158701 162575 164194 278724 139582 URACIL 5-CARBOXYLATE (CAS# 23945-44-0); (M-H)- Uracil-5-carboxylic acid 26672 23741 21598 27435 URACIL (CAS# 66-22-8); (M-H)- Uracil 108823 127395 164031 123491 URATE (CAS# 69-93-2); (M-H)- Uric acid 272616 308340 197846 848126 565018 1020967 438534 1646783 2445107 1881039 534390 211716 836983 505467 688178 797555 367701 1055741 175209 URIDINE-5-MONOPHOSPHATE (CAS# 58-97-9); (M-H)- UMP 125090 200540 205912 226419 171614 228190 156945 197928 300245 455193 180062 165425 249711 194379 274077 118002 290234 URIDINE (CAS# 58-96-8); (M+CL)- Uridine 1841767 1882727 1141272 2545032 1895493 1956143 1711445 2346430 1487418 2208048 2065876 1369361 1402769 1700477 1983440 1959302 2328109 2149141 1450494 URIDINE (CAS# 58-96-8); (M-H)- Uridine 3104802 4091630 3908384 3319172 2920940 2753869 3598926 2930209 2096539 2951324 4057543 4369314 4254200 2830237 3049219 4948840 5322620 6962940 4007898 URIDINE (CAS# 58-96-8); (M+HCOO)- Uridine 1399375 1666415 1200320 1341310 1250937 1159112 1571729 1470204 1383858 1005020 1393168 949059 1315809 UROCANATE (CAS# 104-98-3); (M-H)- Urocanic acid 62720 46263 67845 75963 72076 66253 36110 1381 81125 26641 80874 47339 2048 38579 URSODIOL (CAS# 128-13-2); (M-H)- Ursodeoxycholic acid 35808 24349 URSODIOL (CAS# 128-13-2); (M+HCOO)- Ursodeoxycholic acid 1025 1507 1796 4350 1850 9278 1664 3100 3815 VALINE (CAS# 72-18-4); (M-H)- Valine 465286 165556 238159 546623 533806 381702 226245 214646 73247 225232 329302 476284 295080 224499 637657 738425 199550 XANTHINE (CAS# 69-89-6); (M-H)- Xanthine 4047248 3456783 2333845 3830856 3405720 3839884 4171387 12000000 9837470 3377557 13900000 11000000 5457903 10600000 4201770 3361190 7618926 18400000 12400000 XANTHOSINE (CAS# 146-80-5); (M-H)- Xanthosine 381690 434342 407887 353968 556901 519215 359007 964383 1182974 876276 976256 707659 1177973 622718 453407 882536 1154661 2377113 500894 XANTHURENIC ACID (CAS# 59-00-7); (M-H)- Xanthurenic acid 2528 1674 1561 XYLOSE (CAS# 58-86-6); (M+HCOO)- Xylose 84343 ZEATIN [ISTD] (CAS# 13114-27-7); (M+CL)- trans-Zeatin 205001 215438 209163 252042 231749 246027 271281 254196 258297 283401 222225 231143 203532 213788 219687 220868 207605 241008 216554 ZEATIN [ISTD] (CAS# 13114-27-7); (M-H)- trans-Zeatin 3748510 4177743 4216389 4744496 4494528 4716687 5013430 4867342 4962092 5265011 4167005 4285866 3943405 3953014 4027561 4135994 3978886 4782959 4256657