metabolite_name S00017231 S00017232 S00017233 S00017234 S00017235 S00017236 S00017237 S00017238 S00017239 S00017240 S00017241 S00017242 S00017243 S00017244 S00017245 (-)-SALSOLINOL (CAS# 27740-96-1); (M+CL)- 1514 3207 3515 2767 4692 2924 5434 4300 (S)-2-AMINO-3-(3-HYDOXY-4-OXO-4H-PYRIDIN-1-YL)PROPANOATE OR L-MIMOSINE (CAS# 500-44-7); (M-H)- 1918 8366 4462 3988 11310 13348 8965 13535 3606 9596 15679 1969 10554 (S)-3-METHYL-2-OXOPENTANOATE (CAS# 1460-34-0); (M-H)- 7639393 3936603 4597300 3148546 3310111 2108247 2112778 2208736 1720549 3071071 2783094 2315605 2389964 2237588 2700547 (S)-DIHYDROOROTATE (CAS# 5988-19-2); (M-H)- 8336 1-AMINOCYCLOPROPANE-1-CARBOXYLATE (CAS# 22059-21-8); (M-H)- 21731 12594 13608 11673 12813 11948 9981 10-HYDROXYDECANOATE (CAS# 1679-53-4); (M-H)- 6390 5431 2538 5446 5284 16:0 LYSO PC (CAS# 17364-16-8); (M+CL)- 3423 3201 5014 3043 2515 3004 5923 8797 7541 16:0 LYSO PC (CAS# 17364-16-8); (M+HCOO)- 16574 14773 16751 15305 25612 15641 9832 40729 72084 82599 44206 24110 32011 21084 171188 16:0-18:0 PC (CAS# 59403-51-9); (M+CL)- 89307 16:0-18:0 PC (CAS# 59403-51-9); (M+HCOO)- 7717 18:0 LYSO-PE (CAS# 69747-55-3); (M-H)- 5470 6318 4514 10017 16297 6555 3101 6496 18150 6457 23915 10922 33283 2'-DEOXYGUANOSINE (CAS# 961-07-9); (2M-H)+ 2363 2'-DEOXYGUANOSINE (CAS# 961-07-9); (M+CL)- 108549 2'-DEOXYGUANOSINE (CAS# 961-07-9); (M-H)- 10838 3405 2'-DEOXYINOSINE (CAS# 890-38-0); (M+CL)- 1658 2'-DEOXYINOSINE (CAS# 890-38-0); (M-H)- 27005 2058 11217 2-ACETAMIDO-2-DEOXY-BETA-D-GLUCOSYLAMINE (CAS# 4229-38-3); (M+CL)- 621840 8358 190119 2-AMINOETHYL DIHYDROGEN PHOSPHATE (CAS# 1071-23-4 ); (M-H)- 208981 362616 215145 27947 245708 66825 46857 55852 279156 41781 42179 49839 187016 45323 2-DEOXY-D-GLUCOSE (CAS# 154-17-6); (M+HCOO)- 4459 2841 2-HYDROXY-3-METHYLBUTYRIC ACID (CAS# 4026-18-0); (M-H)- 131705 91764 92317 84344 32181 52468 43131 54341 91660 47651 50308 41341 48759 103364 2-METHYLGLUTARIC ACID (CAS# 18069-17-5); (M-H)- 43574 82155 14880 10701 6808 22692 21481 40035 36424 15900 23502 14002 11783 26105 2-METHYLMALEATE (CAS# 498-23-7); (M-H)- 2964 9266 1677 17213 1463 6637 5331 9348 12063 7141 21663 2968 117662 2-OXOADIPATE (CAS# 3184-35-8); (M-H)- 6424 24:0 SM (D18:1/24:0) (CAS# 60037-60-7); (M+HCOO)- 31360 14754 7282 22359 27891 106965 18006 65918 63314 3-(4-HYDROXYPHENYL)LACTATE (CAS# 6482-98-0); (M-H)- 54560 33439 38045 33838 43356 35925 36913 39169 36328 54589 34380 36726 34090 35549 68305 3-(4-HYDROXYPHENYL)PYRUVATE (CAS# 156-39-8 ); (M-H)- 1682 3-DEHYDROSHIKIMATE (CAS# 2922-42-1); (M-H)- 1381 3-HYDROXY-3-METHYLGLUTARATE (CAS# 503-49-1); (M-H)- 1254908 1279230 1177243 1608718 2135456 446695 1221373 1244799 1274214 1824660 723567 1047931 1004825 1133205 2156351 3-HYDROXYBENZALDEHYDE (CAS# 100-83-4); (M-H)- 18535 8039 4321 10106 14786 9947 8739 3-HYDROXYPHENYLACETATE (CAS# 621-37-4); (M-H)- 3020 3-HYDROXYPYRUVIC ACID (CAS# 1113-60-6); (M+HCOO)- 5344 5825 2721 5785 2677 4505 4454 4578 3731 3-METHYGLUTARIC ACID (CAS# 626-51-7); (M-H)- 43967 82155 14681 10718 73071 22305 19447 42374 36424 15900 23502 14002 11752 26105 3-METHYLADIPIC ACID (CAS# 3058-01-3); (M-H)- 15015 30942 8143 4719 28210 10161 12021 5754 15625 6966 10658 4213 4796 7376 3-PHOSPHOGLYCERATE (CAS# ); (M-H)- 4107 2227 2641 49333 75456 3-SULFINO-L-ALANINE (CAS# 1115-65-7); (M-H)- 1664 4-ACETAMINOPHEN SULFATE (CAS# 32113-41-0); (M-H)- 4358 4-COUMARATE (CAS# 501-98-4); (M-H)- 1080 4-HYDROXYBENZALDEHYDE (CAS# 123-08-0); (M-H)- 18535 6974 23917 10106 14786 9947 8739 4-HYDROXYBENZOATE (CAS# 99-96-7); (M-H)- 2403 10291 5790 1387 4488 5205 1465 4-HYDROXYPHENYLACETATE (CAS# 156-38-7); (M-H)- 4332 4-METHYL-2-OXOPENTANOATE (CAS# 816-66-0); (M-H)- 3844343 1970297 2310292 1621258 1623077 1033658 970733 1030270 498397 1418298 1320734 896295 1156727 1094092 1292722 4-METHYL-2-OXOVALERIC ACID (CAS# 816-66-0); (M-H)- 3843770 1969716 2310140 1620828 1622391 1033340 970559 1030011 498218 1418055 1320602 896085 1156636 1093787 1292573 4-NITROCATECHOL (CAS# 3316-09-4); (M-H)- 14847 64982 25703 184462 29957 19525 179172 10655 72657 55975 26450 10114 14392 4-NITROPHENOL (CAS# 100-02-7); (M-H)- 57853 129778 32932 26693 413173 23808 32857 57920 124850 52166 59030 56695 41325 89606 107959 5'-DEOXYADENOSINE (CAS# 4754-39-6); (M+CL)- 5976 8306 8852 5'-DEOXYADENOSINE (CAS# 4754-39-6); (M+HCOO)- 8713 10461 3619 10916 4168 10907 12487 6017 5391 10384 18887 5'-METHYLTHIOADENOSINE (CAS# 2457-80-9); (M+CL)- 146427 110902 137942 139744 137046 91911 114094 123912 136377 137831 103186 152932 128542 129556 189929 5'-METHYLTHIOADENOSINE (CAS# 2457-80-9); (M+HCOO)- 88296 66051 84193 82762 83419 59273 67302 75786 80606 82593 61054 84243 72086 67405 95668 5-AMINOPENTANOATE (CAS# 660-88-8); (M-H)- 8653 21017 40829 13207 5-HYDROXYTRYPTOPHAN (CAS# 4350-09-8); (M-H)- 37723 43074 34014 90848 27218 28904 66107 50629 5-METHYLTETRAHYDROFOLATE (CAS# 134-35-0); (M-H)- 1105 5-OXOPROLINE (CAS# 4042-36-8); (M-H)- 28600000 23300000 23100000 21600000 21800000 13400000 17400000 15900000 16400000 20100000 18200000 14100000 17200000 19300000 17500000 6-CARBOXYHEXANOATE (CAS# 111-16-0); (M-H)- 15015 30986 8143 4719 28210 10161 12021 5754 15625 6966 10658 4213 4796 7376 6-HYDROXYNICOTINATE (CAS# 5006-66-6); (M-H)- 5187 1718 7-AMINOCEPHALOSPORANIC ACID (CAS# 957-68-6); (M-H)- 1119 1406 ADENINE (CAS# 73-24-5); (M-H)- 842047 118296 100391 ADENOSINE (CAS# 58-61-7); (M+CL)- 108549 ADENOSINE (CAS# 58-61-7); (M+HCOO)- 11259 3387 8687 49768 1989 38838 54757 80236 34227 42100 54629 ADENOSINE 5'-MONOPHOSPHATE (CAS# 61-19-8); (2M-H)+ 2227 33117 46775 202317 67428 42547 229194 106327 117493 146351 153943 ADENOSINE 5'-MONOPHOSPHATE (CAS# 61-19-8); (M-H)- 421057 345779 350117 464323 385917 769650 830514 2454846 1237800 904024 2327554 1578904 2753523 2037402 2031491 ADIPIC ACID (CAS# 124-04-9 ); (M-H)- 43967 82155 14681 10718 73071 22305 19447 42374 36424 15900 23502 14002 11752 26105 ADP-RIBOSE (CAS# ); (M-H)- 1619 2330 4965 35008 17218 4355 15971 49606 2730 24836 21494 4331 92679 ADPGLUCOSE (CAS# ); (M-H)- 225281 174438 232881 284493 215967 268157 254759 260281 163792 196448 263220 307091 327836 230768 234218 ALLOSE (CAS# 2595-97-3); (M-H)+[-H2O] 1255242 1279230 1181320 1604076 2136843 446841 1218494 1245079 1274214 1824660 723165 1047931 1005521 1133205 2156351 ALPHA-D-GALACTOSE 1-PHOSPHATE (CAS# 2255-14-3); (M-H)- 4870 44904 4684 4613 7042 45617 25911 34952 16956 63924 29769 29471 27619 14721 ALPHA-LINOLENIC ACID (CAS# 463-40-1); (M+HCOO)- 224970 230306 231484 211678 291537 193561 203628 225677 232360 530288 216020 292762 291262 251303 274589 ARABITOL (CAS# 7643-75-6); (M+CL)- 14486 ARACHIDIC ACID (CAS# 506-30-9); (M-H)- 3442 2616 3347 2833 4361 2856 3178 3009 2604 9959 4457 4146 8618 4359 5380 ARACHIDONATE (CAS# 506-32-1); (M-H)- 7613 8296 8516 10004 12357 11150 10212 17659 12727 20284 13413 15182 12171 14072 19530 ASPARTATE (CAS# 56-84-8); (M+HCOO)- 6618 ASPARTATE (CAS# 56-84-8); (M-H)- 61064 75486 75910 54880 188242 132010 137186 113729 60223 183334 199873 203857 112046 AZELAIC ACID (CAS# 123-99-9); (M-H)- 131015 198877 92498 58996 198924 95260 69859 67047 114598 74382 51464 92581 53050 55526 75596 BEHENIC ACID (CAS# 112-85-6); (M-H)- 1243 4516 2802 2777 1654 6934 6626 2243 17167 4208 4858 BENZALDEHYDE (CAS# 100-52-7); (M+HCOO)- 4332 BENZOATE (CAS# 65-85-0); (M-H)- 17379 8039 22511 10106 34055 14786 9171 8739 1444 BETA-ALANINE (CAS# 107-95-9); (M-H)- 10191 9766 9239 11443 BETA-MALTOSE (CAS# 69-79-4); (2M-H)-[-H2O] 22238 12541 10063 11910 16273 11109 9211 14407 BETA-MALTOSE (CAS# 69-79-4); (M+HCOO)- 2521 1095 1103 1771 1455 BILIVERDIN (CAS# 114-25-0); (M-H)- 1431 1093 BIOTIN (CAS# 58-85-5); (M-H)- 4297 3629 2557 2864 6100 1441 3263 1630 1888 2049 2634 2665 BOC-ALA-OH (CAS# 15761-38-3); (M-H)- 2015 1884 2661 2144 3317 3471 2765 3570 1957 4010 2099 2547 1719 1151 5016 C12 GALACTOSYL(BETA) CERAMIDE (D18:1/12:0) (CAS# 41613-14-3); (M+CL)- 2019 C12 GALACTOSYL(BETA) CERAMIDE (D18:1/12:0) (CAS# 41613-14-3); (M+HCOO)- 1632 9483 CAPRYLIC ACID (CAS# 124-07-2); (M-H)- 1639 CHOLATE (CAS# 81-25-4); (M+CL)- 8347 CHOLATE (CAS# 81-25-4); (M-H)- 111692 CHOLINE PHOSPHATE (CAS# 107-73-3); (M+HCOO)- 6671 1264 CIS-11-EICOSENOIC ACID (CAS# 5561-99-9); (M-H)- 4015 3263 6226 6130 7944 7063 5387 11048 8240 40193 12368 20230 19540 12471 18442 CIS-ACONITATE (CAS# 585-84-2); (M-H)- 701363 799426 808442 777549 1152353 973145 583226 869550 649239 888510 744562 859349 820437 856069 1098959 CIS-VACCENIC ACID (CAS# 506-17-2); (M-H)- 186970 191457 243494 258606 248444 362939 359938 727146 519718 1690876 699756 980209 729733 711344 853124 CIS-ZEATIN (CAS# 1637-39-4); (M+CL)- 1966261 1489197 1503682 1419414 1711727 1579577 1571950 1478275 1443240 1714441 1318420 1526741 1457160 1468281 1949997 CIS-ZEATIN (CAS# 1637-39-4); (M-H)- 2998979 2190551 2228585 2170280 2493975 2560915 2305388 2527644 2385789 2700951 2188415 2517214 2327450 2259069 2884312 CITRAMALATE (CAS# 2306-22-1); (M-H)- 81198 94143 76652 58720 95904 46238 36601 52809 63407 52027 53225 56255 49389 44757 67419 CITRATE (CAS# 77-92-9); (M-H)- 14800000 10900000 11600000 12200000 13300000 12500000 12000000 12100000 8475834 11600000 9451944 11600000 15200000 10900000 13900000 CORTISOL (CAS# 50-23-7); (M+CL)- 26742 2220 7670 CORTISOL (CAS# 50-23-7); (M+HCOO)- 4981 130491 6965 6201 3094 2587 9998 8194 4691 3509 4135 35327 2420 1734 2500 CYCLOHEPTANECARBOXYLIC ACID (CAS# 1460-16-8); (M+HCOO)- 131015 198877 92498 58996 198924 95260 69859 67047 114577 70907 51464 92581 53050 55617 75596 CYSTATHIONINE (CAS# 56-88-2); (M-H)- 3102 CYTIDINE (CAS# 65-46-3); (M+CL)- 1536 8311 1268 CYTIDINE (CAS# 65-46-3); (M-H)- 141517 148297 199908 184807 142920 175438 153966 204220 152925 171516 211371 CYTIDINE 5'-DIPHOSPHOCHOLINE (CAS# 987-78-0); (M+CL)- 13947 14930 9180 13197 19815 CYTIDINE 5'-DIPHOSPHOCHOLINE (CAS# 987-78-0); (M+HCOO)- 1827 1955 1509 1741 D-(-)-ARABINOSE (CAS# 10323-20-3); (M+HCOO)- 137330 200839 237353 312865 293846 348477 359090 326107 315999 374812 250756 259371 235546 227670 256499 D-GALACTOSAMINE (CAS# 7535-00-4); (M+CL)- 95817 114359 131646 163329 D-GALACTOSAMINE (CAS# 7535-00-4); (M+HCOO)- 2448 3010 3473 1581 1898 2645 D-GLUCOSAMINE (CAS# 3416-24-8); (M+CL)- 96321 131318 163329 D-GLUCOSE 6-PHOSPHATE (CAS# 56-73-5); (M-H)- 44986 44904 48074 21181 7042 75741 20453 34952 16956 11683 63924 77023 45237 27619 14721 D-LYXOSE (CAS# 1114-34-7); (M+HCOO)- 137330 198885 237353 312865 279228 348477 357980 324096 315999 374812 250756 259371 235546 227670 256499 D-LYXOSE (CAS# 1114-34-7); (M-H)- 4642 5969 5325 3204 10517 3617 4549 2628 5899 6118 6692 4784 3198 D-MANNOSAMINE (CAS# 14307-02-9); (M+HCOO)- 3010 1152 2645 D-ORNITHINE (CAS# 348-66-3); (M-H)- 16089 13529 D-PSICOSE (CAS# 551-68-8); (M+CL)- 583882 579118 534945 524088 405012 976526 581600 636638 515699 650952 580124 561128 452247 D-TAGATOSE (CAS# 87-81-0); (M+CL)- 583882 579118 534945 524088 405012 976526 581600 636638 515699 650952 580124 561128 452247 DAMP (CAS# 653-63-4); (M-H)- 1841 17191 9793 DECANOATE (CAS# 334-48-5); (M-H)- 6425 6049 5689 5822 7455 6999 5214 6810 7333 8539 5602 6521 6852 6339 6457 DEHYDROASCORBATE (CAS# 490-83-5); (M+HCOO)- 1684 5066 2125 1014 7662 DEHYDROASCORBATE (CAS# 490-83-5); (M-H)- 627795 706566 628137 982063 572793 444005 490834 781453 369028 627663 573927 98113 877855 DEOXYCHOLIC ACID (CAS# 83-44-3); (2M-H)- 350575 DEOXYCHOLIC ACID (CAS# 83-44-3); (M+CL)- 94365 DEOXYCHOLIC ACID (CAS# 83-44-3); (M-H)- 2674209 DEOXYCYTIDINE (CAS# 951-77-9); (M+HCOO)- 186023 145122 174349 160512 194469 200396 218591 213175 169113 198758 121589 173718 230977 90423 155230 DEOXYCYTIDINE (CAS# 951-77-9); (M-H)- 13568 13972 11083 13811 10341 5659 8666 7395 11609 10827 8200 8014 11514 9550 DEOXYGUANOSINE 5'-TRIPHOSPHATE (CAS# 2564-35-4); (M-H)- 29523 90283 129117 110384 3751 328515 5782 DEOXYURIDINE (CAS# 951-78-0); (M+CL)- 4705 1639 DEPHOSPHO-COA (CAS# 3633-59-8); (M-H)- 4465 3939 3534 4625 7508 4222 9436 4600 3476 7525 9437 DGDP (CAS# 653-63-4); (M-H)- 1841 7149 3213 17191 DGMP (CAS# 902-04-5); (M-H)- 172321 161597 140808 95611 194799 342979 232000 195573 301917 261217 285008 DIACETYL (CAS# 431-03-8); (M+HCOO)- 29479 31480 8963 16159 10978 DIHYDROXYMANDELIC ACID (CAS# 775-01-9); (M-H)- 4770 EDTA (CAS# 60-00-4); (M-H)- 1266 1007 1777 1341 2745 ELAIDIC ACID (CAS# 112-79-8); (M-H)- 186970 191457 243494 258606 248444 362939 359938 727146 519718 1690876 699756 980209 729733 712945 853124 EPIBRASSINOLIDE [ISTD] (CAS# 78821-43-9); (M+CL)- 1447806 835946 1021986 1087335 1159228 1127999 1149158 1081826 999002 1240531 962312 1155445 1085729 1031373 1436542 EPIBRASSINOLIDE [ISTD] (CAS# 78821-43-9); (M+HCOO)- 9501217 6016759 6959291 7216879 7823460 7653539 7616281 7164779 6761079 8164038 6316625 7409417 7060250 6536506 8870608 ERUCIC ACID (CAS# 112-86-7); (M-H)- 2489 2053 2178 1769 2430 4833 3187 1973 5521 2454 3828 ETHANOLAMINE PHOSPHATE (CAS# 1071-23-4); (M-H)- 208981 376344 215145 175657 245708 66825 46857 55852 279156 41781 42179 49839 187016 197691 ETHYLMALONIC ACID (CAS# 601-75-2); (M-H)- 27800 39258 17293 14739 59066 17190 15311 21301 29641 21804 15576 23430 15777 17561 30980 FERULATE (CAS# 1135-24-6); (M-H)- 5490 FLAVIN ADENINE DINUCLEOTIDE (CAS# 146-14-5); (M-H)- 158574 120902 147252 132838 197613 127871 165901 121927 130169 163654 94511 134699 108140 114019 173577 FOLIC ACID (CAS# 59-30-3); (M-H)- 82846 54045 49806 42794 52338 16403 36970 29102 31488 42068 19554 18612 33671 31028 FRUCTOSE (CAS# 57-48-7); (M+CL)- 583882 579118 534945 524088 405012 976526 581600 636638 515699 650952 580124 561128 452247 FRUCTOSE (CAS# 57-48-7); (M+HCOO)- 73136 46452 52270 42152 55096 53589 43214 42406 31230 48257 27016 32632 38642 23373 39505 FUMARATE (CAS# 110-17-8); (M-H)- 45742 53290 52845 51445 72545 65067 63317 52338 42862 51755 88496 58542 67269 53724 70327 GALACTARATE (CAS# 526-99-8); (M-H)- 2459 3357 10555 4024 33929 21942 19878 17260 7632 GALACTURONIC ACID (CAS# 91510-62-2); (M-H)- 17471 24431 21451 27750 17103 46601 40802 35538 28326 24072 40752 38423 40638 29839 GAMMA-BUTYROLACTONE (CAS# 96-48-0); (M+HCOO)- 29479 31480 8963 16159 10978 GAMMA-L-GLUTAMYL-L-CYSTEINE (CAS# 686-58-8); (M-H)- 9059 29418 5067 7255 40145 19138 19529 14926 18942 23269 21179 14293 37665 21704 11083 GAMMA-LINOLENIC ACID (CAS# 506-26-3); (M+HCOO)- 224970 230306 231484 211678 291537 193561 205444 225677 232360 530288 216020 292761 291262 251303 274589 GDPGLUCOSE (CAS# ); (M-H)- 1935 6687 GDPMANNOSE (CAS# ); (M-H)- 80878 195375 221017 111999 138651 324964 285364 198157 219937 185934 149945 405412 560184 169857 258914 GIBBERELLIC ACID [ISTD] (CAS# 77-06-5); (2M-H)- 27725 12424 14250 15173 22643 18816 16418 16140 13181 18573 10644 17265 15630 11460 23293 GIBBERELLIC ACID [ISTD] (CAS# 77-06-5); (M+CL)- 65608 45612 50745 50978 57952 53425 53416 50337 44812 54886 41232 50697 50414 45632 64074 GIBBERELLIC ACID [ISTD] (CAS# 77-06-5); (M-H)- 872981 573147 636427 644594 770385 713782 665955 652675 605627 713595 538183 681184 662501 567808 821416 GLUCARIC ACID (CAS# 87-73-0); (M-H)+[-H2O] 10700000 8300073 9494152 8584210 8556107 8665066 8507073 7324315 6287626 8519463 6996233 7821518 7493653 7014111 8764460 GLUCARIC ACID (CAS# 87-73-0); (M-H)- 2459 3357 10555 4024 33929 21942 19878 17260 9570 GLUCONIC ACID (CAS# 526-95-4); (M-H)- 137330 200839 237353 312865 293846 348477 359090 326020 315999 373478 250756 259371 235546 227670 256499 GLUCOSE (CAS# 50-99-7); (2M+HCOO)-[-H2O] 2521 1095 1771 GLUCOSE (CAS# 50-99-7); (M+CL)- 583882 579118 534945 524088 405012 976526 581600 636638 515699 650952 580124 561128 452247 GLUCOSE 1-PHOSPHATE (CAS# 59-56-3); (M-H)- 4870 44904 4684 4613 7042 45617 20453 34952 16956 11683 63924 29769 29471 27619 14721 GLUCURONIC ACID (CAS# 6556-12-3); (M-H)- 17471 24431 24453 30113 17103 46601 40802 35538 31535 26750 40752 38423 40638 29839 GLUTAMATE (CAS# 56-86-0); (M-H)- 1801234 2081061 2274170 2135973 2879624 2535703 2338984 2217221 2055456 2817842 3057400 2872748 2734032 3431997 GLUTAMINE (CAS# 56-85-9); (M-H)- 1476367 1415178 GLUTARATE (CAS# 110-94-1); (M-H)- 12840 29479 31480 8963 6153 16159 10978 11091 GLUTATHIONE (CAS# 27025-41-8); (M-H)- 2246724 2176220 1456634 1397016 2054039 1161735 1326581 1391315 1290647 1245038 1122283 1131811 1354521 805148 1409775 GLYCERALDEHYDE (CAS# 367-47-5); (2M-H)-[-H2O] 1254908 1279230 1177243 1608718 2135456 446695 1221373 1244799 1274214 1824660 723567 1047931 1004825 1133205 2156351 GLYCEROL 2-PHOSPHATE (CAS# ); (M-H)- 11375 4861 GLYCINE (CAS# 56-40-6); (M-H)- 10229 GUANINE (CAS# 73-40-5); (M-H)- 3847 5156 7087 GUANOSINE (CAS# 118-00-3); (M+CL)- 2969 GUANOSINE (CAS# 118-00-3); (M-H)- 73078 39001 67214 64858 45383 71230 36711 96497 51070 38367 139142 60124 50588 90542 95262 GUANOSINE 5'-DIPHOSPHO-BETA-L-FUCOSE (CAS# 0); (M-H)- 225281 174371 235205 284493 216509 195626 257725 262045 164359 196448 263220 307091 327836 232143 234218 GUANOSINE 5'-PHOSPHATE (CAS# 85-32-5); (2M-H)+ 1698 6204 8093 3251 10130 11164 GUANOSINE 5'-PHOSPHATE (CAS# 85-32-5); (M-H)- 135365 112352 61922 231842 78804 119174 309927 461280 259713 141927 374714 207420 329963 427107 449647 HEPTADECANOATE (CAS# 506-12-7); (M-H)- 41510 39207 38699 37093 25197 36042 37888 21398 24766 231870 22946 28003 33501 49350 62348 HEXACOSANOIC ACID (CAS# 506-46-7); (M-H)- 2205 2033 1906 1331 2327 1060 5585 6151 1813 3992 4545 3179 HYODEOXYCHOLATE (CAS# 83-49-8); (M-H)- 1933128 1338237 1254203 1410595 2104649 1758804 1655056 990698 1936684 1708511 1839858 1787320 1884302 1701095 2381837 HYPOXANTHINE (CAS# 68-94-0); (M-H)- 15623 16715 11002 4968 12188 9770 9987 12740 7842 18187 26182 1746 12581 IMIDAZOLE-4-ACETATE (CAS# 645-65-8); (M-H)- 1697 1753 1664 INOSINE (CAS# 58-63-9); (M+CL)- 152075 INOSINE (CAS# 58-63-9); (M-H)- 58106 47147 45552 61571 109315 74039 120763 527643 564608 136563 1018510 292722 77788 399878 1402195 ISOCITRATE (CAS# 320-77-4); (M-H)- 10700000 8300073 9494152 8584210 8556107 8665066 8505433 7327496 6287626 8519463 6996233 7821518 7493653 7013113 8764460 ISOLEUCINE (CAS# 73-32-5); (M-H)- 3464109 2479594 2875890 2729790 2421187 1852583 2114738 2213163 1684091 2097090 2088098 2379643 1943746 2160955 2497470 ITACONATE (CAS# 97-65-4); (M-H)- 9266 1677 1463 6637 5331 9348 3553 7141 21663 2968 13207 JASMONIC ACID [ISTD] (CAS# 77026-92-7); (2M-H)- 55340 22895 27278 30431 43070 32610 32610 28493 23457 35682 18884 29055 24950 17489 44991 JASMONIC ACID [ISTD] (CAS# 77026-92-7); (M-H)- 3583668 2385264 2663693 2734512 3162006 2956719 2815939 2714492 2411199 2960221 2231472 2798564 2660655 2333346 3402282 KYNURENINE (CAS# 343-65-7); (M-H)- 1458 2712 1070 29274 22124 2624 1524 1077 39003 L-ARGININE (CAS# 74-79-3); (M-H)- 79440 87226 94052 85905 68370 77828 70935 79636 78240 84197 93792 91045 37866 86237 L-ARGININE-(GUANIDINEIMINO-15N2) [ISTD] (CAS# ); (M-H)- 2252 2263 2632 3266 4354 2608 3693 3036 3501 4172 3382 3390 L-GULONATE (CAS# 6322-07-2); (M-H)- 137330 198072 237353 312865 279228 348477 357980 323995 315999 374812 250756 259371 235546 227670 256499 L-HISTIDINE (CAS# 71-00-1); (M-H)- 370783 304914 342886 283331 245592 292048 264932 288897 231256 266596 290540 339984 359666 273711 314146 L-METHIONINE SULFOXIMINE (CAS# 15985-39-4); (M-H)- 10404 10776 13266 L-ORNITHINE (CAS# 70-26-8); (M-H)- 16089 13529 L-RHAMNOSE (CAS# 10030-85-0); (M+HCOO)- 4459 2841 L-TRYPTOPHAN-15N2 [ISTD] (CAS# ); (M-H)- 208534 133491 147453 147838 159429 157436 146869 152288 130087 157681 124145 151558 148555 132147 179940 L-[15N]ANTHRANILIC ACID [ISTD] (CAS# ); (M-H)- 237756 156502 175839 178198 197810 180650 193856 176092 209993 162287 192431 180534 158585 LACTOSE (CAS# 63-42-3); (M-H)- 1211 1049 LAURIC ACID (CAS# 143-07-7); (M-H)- 9462 7477 8898 9449 12448 9790 10168 9150 10427 23255 13447 12215 13139 12572 14848 LEUCINE (CAS# 328-39-2); (M-H)- 3464109 2479594 2875890 2729790 2421187 1852583 2114738 2213163 1684091 2082558 2088098 2365396 2383618 2160955 2497470 LIGNOCERIC ACID (CAS# 557-59-5); (M-H)- 2969 2131 2143 6028 3818 5738 5231 6069 2149 13042 16196 3918 22958 14205 14134 LINOLEATE (CAS# 60-33-3); (M-H)- 59046 37236 49997 42459 50232 77714 75482 176184 126452 244379 116668 201220 102091 141056 129452 MALATE (CAS# 97-67-6); (M-H)+[-H2O] 377078 390727 426925 382284 473963 435309 515947 303992 530930 487967 MALATE (CAS# 97-67-6); (M-H)- 1687305 2307188 2743666 2133117 1234503 3301480 61422 1063417 3588489 2050600 1422877 1458928 MALEAMATE (CAS# 557-24-4); (M-H)- 1217 MALEIC ACID (CAS# 110-16-7); (M-H)- 54588 41831 36528 52170 65484 44699 48080 50509 46271 435627 520072 51666 73482 44164 83845 MALTOSE (CAS# 69-79-4); (M+HCOO)- 2521 1095 1103 1771 1455 MANDELIC ACID (CAS# 611-71-2); (M-H)- 1496 5609 2865 MANNOSE-6-PHOSPHATE (CAS# 3672-15-9); (M-H)- 4870 44904 4684 4613 7042 45617 25911 34952 16956 63924 29769 29471 27619 14721 MELIBIOSE (CAS# 585-99-9); (M+HCOO)- 2521 1095 1103 1771 1455 METHIONINE (CAS# 63-68-3); (M-H)- 58781 44967 76481 81295 66161 72495 50371 79627 60968 67548 80943 64065 167905 93195 81725 METHYL BETA-D-GALACTOSIDE (CAS# 1824-94-8); (M+CL)- 4387 19044 9289 11915 4181 23388 9085 METHYLMALONATE (CAS# 516-05-2); (M-H)- 397890 351073 341932 338984 490144 430371 477856 488027 481694 571717 46536 572895 591847 482401 765080 MONO-METHYL GLUTARATE (CAS# 1501-27-5); (M-H)- 43967 82155 14681 12354 73071 22305 19447 42374 36424 15900 23502 14002 11752 26105 MYRISTIC ACID (CAS# 544-63-8); (M-H)- 94234 97680 101038 91826 108151 95484 104871 119594 113386 422665 122463 146473 134806 139546 145077 MYRISTOLEIC ACID (CAS# 544-64-9); (M-H)- 1873 2566 3994 2330 2557 6374 5617 14834 9614 136347 7905 6273 5335 5524 5144 N-ACETYL-D-GLUCOSAMINE (CAS# 7512-17-6); (M+CL)- 41323 59768 101662 104771 84623 73345 44827 148741 54996 25901 115355 N-ACETYL-D-MANNOSAMINE (CAS# 3615-17-6); (M+CL)- 41323 59768 101662 104771 84623 73345 44827 148741 54996 25901 115355 N-ACETYL-D-TRYPTOPHAN (CAS# 2280-01-5); (M-H)- 2533 2665 4564 N-ACETYL-DL-GLUTAMIC ACID (CAS# 5817-08-3); (M-H)- 580244 602172 668157 760407 1478722 623858 537500 504091 1639131 492683 478066 482329 486921 1865196 N-ACETYL-DL-METHIONINE (CAS# 1115-47-5); (M-H)- 106765 71725 73564 68751 90539 62199 95520 85139 60090 83052 90431 74019 72156 96818 115216 N-ACETYL-DL-SERINE (CAS# 97-14-3); (M-H)- 1801234 2081061 2274170 2135973 2879624 2541271 2344977 2222486 2055456 2826337 3062188 2872748 2738071 3437145 N-ACETYL-L-ALANINE (CAS# 97-69-8); (M-H)- 27463 39231 107766 152897 200246 203724 217014 188244 160750 195821 193193 125418 155053 168983 214800 N-ACETYL-L-ASPARTIC ACID (CAS# 997-55-7); (M-H)- 45959 45690 50958 N-ACETYL-L-CYSTEINE (CAS# 616-91-1); (M-H)- 16417 14283 10349 13106 13644 8778 7969 13319 N-ACETYL-L-LEUCINE (CAS# 1188-21-2); (M-H)- 43475 29084 31660 31278 41948 26581 29241 28086 23285 23414 20993 28000 24781 23472 43312 N-ACETYL-L-PHENYLALANINE (CAS# 2018-61-3); (M-H)- 2538 2006 2909 2437 1193 1360 2582 N-ACETYLGALACTOSAMINE (CAS# 1811-31-0); (M+CL)- 41323 59768 101662 104771 84623 73345 44827 148741 54996 25901 115355 N-ACETYLGLYCINE (CAS# 543-24-8); (M-H)- 4710 4928 N-ACETYLNEURAMINATE (CAS# 131-48-6); (M-H)- 79687 21624 149158 N-AMIDINO-L-ASPARTATE (CAS# 6133-30-8); (M-H)+[-H2O] 1064 N-CYCLOHEXYLSULFAMIC ACID (CAS# 100-88-9); (2M-H)- 2629 N-METHYL-D-ASPARTIC ACID (CAS# 6384-92-5); (M-H)- 1801234 2081061 2274170 2135973 2879624 2535703 2338979 2217068 2055456 2817828 3058617 2872748 2734032 3430889 NAD (CAS# 53-84-9); (M-H)- 166242 138844 151707 166789 137457 141632 136411 138891 121942 120945 114196 117081 153578 123414 151573 NERVONIC ACID (CAS# 506-37-6); (M-H)- 1069 4410 2034 7041 3580 5701 7134 15093 2919 29522 8862 9979 NICOTINAMIDE HYPOXANTHINE DINUCLEOTIDE (CAS# 22052-73-9); (M-H)- 2406 10725 17498 NICOTINIC ACID ADENINE DINUCLEOTIDE PHOSPHATE (CAS# 5502-96-5); (M-H)- 5253 NONANOATE (CAS# 112-05-0); (M-H)- 1550 1609 3033 1226 NORLEUCINE (CAS# 327-57-1); (M-H)- 3464109 2479594 2875890 2729790 2421187 1852583 2114738 2213163 1683494 2083592 2088098 2366603 2383618 2160955 2497470 O-PHOSPHO-DL-SERINE (CAS# 17885-08-4); (2M-H)+ 1415 3558 O-SUCCINYL-L-HOMOSERINE (CAS# 1492-23-5); (M-H)- 256999 10548 228991 OLEIC ACID (CAS# 112-80-1); (M-H)- 186970 191457 243494 258606 248444 362939 359938 728652 519718 1690876 699756 980209 729733 712945 853124 OMEGA-HYDROXYDODECANOIC ACID (CAS# 505-95-3); (M-H)- 5156 3471 2807 4527 4109 2101 5458 2839 3920 3565 9876 6483 11202 3229 OPHTHALMIC ACID (CAS# 495-27-2); (M-H)- 30231 15670 23271 17252 14399 21620 24785 13071 16608 OROTATE (CAS# 65-86-1); (M-H)- 24973 22840 11255 20692 25267 21024 OXALATE (CAS# 144-62-7); (M-H)- 41280 38832 30540 OXALOACETATE (CAS# 328-42-7); (M-H)-[-H2O] 11198 11315 10826 11165 8470 11801 OXIDIZED GLUTATHIONE (CAS# 27025-41-8); (M-2H)-2 1123 OXIDIZED GLUTATHIONE (CAS# 27025-41-8); (M-H)- 2246666 2176220 1456634 1397016 2054039 1161735 1326581 1391315 1290647 1245038 1122283 1131811 1354521 805148 1409775 PALATINOSE (CAS# 343336-76-5); (M+HCOO)- 2521 1095 1103 1771 1455 PALMITATE (CAS# 57-10-3); (M-H)- 574269 599322 597935 565315 750980 503876 543397 580649 596816 1641630 579303 731509 768568 677791 736770 PALMITOLEIC ACID (CAS# 373-49-9); (M-H)- 49088 47063 59092 47768 86340 121825 113906 267401 193731 1672741 160139 211378 144185 161203 156950 PANTOTHENATE (CAS# 79-83-4); (M+CL)- 9890 PANTOTHENATE (CAS# 79-83-4); (M-H)- 172350 114293 106185 91262 139684 73040 98113 88067 77136 114336 81121 81096 70673 74994 130173 PENICILLAMINE (CAS# 52-67-5); (2M-H)+[-H2] 16320 1767 PENTANOATE (CAS# 109-52-4); (M+HCOO)- 1138 PHENYL ACETATE (CAS# 122-79-2); (M+HCOO)- 54560 33439 38045 31561 43356 35925 36913 39169 36328 54589 34380 36726 34090 33459 68305 PHENYL ACETATE (CAS# 122-79-2); (M-H)- 2675 1419 6118 PHENYLALANINE (CAS# 63-91-2); (M-H)- 3191119 2176384 2499079 2310525 2069744 1723884 1801024 2009860 1594898 1942031 1913934 2233180 2150031 1913180 2311399 PHOSPHOCREATINE (CAS# 67-07-2); (M-H)- 4013 PHTHALATE (CAS# 88-99-3); (M-H)- 17657 36750 7983 6946 31132 18567 5677 5231 13355 6774 6164 26052 10920 8477 10073 PHYTANATE (CAS# 14721-66-5); (M-H)- 2239 2416 3129 3070 3936 3516 2605 2103 2363 4676 2873 3338 8627 3038 4230 PINITOL (CAS# 10284-63-6); (M+CL)- 4387 17138 7650 10301 4181 23388 7542 PROCOLLAGEN 5-HYDROXY-L-LYSINE (CAS# 1190-94-9); (M-H)- 3583 4951 PROPENOATE (CAS# 79-10-7); (M-H)- 11959 13672 8769 10099 6977 12156 24072 15306 16134 10724 PROSTAGLANDIN E2 (CAS# 363-24-6); (M-H)- 1142 PTERIN (CAS# 2236-60-4); (M-H)- 3527 8998 2302 PURINE (CAS# 120-73-0); (M-H)- 1380400 1562434 1275761 1388140 1108888 948168 889570 1345877 1176609 2412434 1303180 932274 1640629 PYRUVATE (CAS# 127-17-3); (M-H)- 61508 55190 49127 50869 56743 47893 49064 57863 42805 50677 52598 46113 39019 47894 51603 RAC-GLYCEROL 1-MYRISTATE (CAS# 75685-84-6); (M+CL)- 8396 RAFFINOSE (CAS# 512-69-6); (M+CL)- 1704 RAFFINOSE (CAS# 512-69-6); (M+HCOO)- 1452 1867 2546 RETINOATE (CAS# 302-79-4); (M-H)- 1630 3795 2113 4336 3078 RIBITOL (CAS# 488-81-3); (M+CL)- 14486 S-ADENOSYL-L-HOMOCYSTEINE (CAS# 979-92-0); (M+CL)- 8590 4669 4606 7492 S-ADENOSYL-L-HOMOCYSTEINE (CAS# 979-92-0); (M-H)- 80326 47952 54578 47643 70300 47064 53846 53357 41091 51763 44691 57898 43057 52824 82821 SALICYLATE (CAS# 69-72-7); (M-H)- 11212 10267 17478 7920 28198 20034 16086 38527 97033 10811 44855 28680 18313 14026 19978 SEBACIC ACID (CAS# 111-20-6); (M-H)- 162678 177535 153226 131821 162287 136877 131140 120897 124546 115148 114339 116993 113361 111573 115916 SERINE (CAS# 56-45-1); (M-H)- 3627 3014 2693 1603 2837 2278 2041 1853 2987 3411 2728 3033 SN-GLYCERO-3-PHOSPHOCHOLINE (CAS# 28319-77-9); (M+CL)- 162046 185596 236118 251360 167376 538493 330402 349236 289116 224237 380700 358952 402024 346640 280326 SN-GLYCERO-3-PHOSPHOCHOLINE (CAS# 28319-77-9); (M+HCOO)- 18281 37104 53919 46079 88867 123925 61691 STACHYOSE (CAS# 54261-98-2); (M-H)- 12541 10063 11910 16273 11109 9211 13377 STEARATE (CAS# 57-11-4); (M-H)- 497541 520357 511494 512485 741372 463749 451017 426284 516123 651899 624587 693759 973982 603855 765977 SUBERIC ACID (CAS# 505-48-6); (M-H)- 63673 117073 46013 32364 88192 29222 27886 56659 27872 20474 40478 22976 20316 29650 SUCCINATE (CAS# 110-15-6); (M-H)- 397728 351073 341932 337804 495155 430371 477856 488027 481694 571717 492211 577501 591847 486253 765080 SUCROSE (CAS# 57-50-1); (M+HCOO)- 2521 1095 1103 1771 1455 TARTARIC ACID (CAS# 87-69-4); (M-H)- 3345 5344 1862 7790 7207 3353 5785 2677 4505 4454 4578 4517 TAURINE (CAS# 107-35-7); (M-H)- 4816 6448 36775 13231 7225 TEREPHTHALATE (CAS# 100-21-0); (M-H)- 7581 24551 6032 12234 5053 3029 5095 3184 7967 6334 THREONINE (CAS# 72-19-5); (M+HCOO)-[-H2O] 1801234 2081061 2274170 2135973 2879624 2541271 2344977 2222486 2055456 2826337 3062188 2872748 2738071 3437145 THROMBOXANE B2 (CAS# 54397-85-2); (M-H)-[-H2O] 1142 THYMINE (CAS# 65-71-4); (M-H)- 31101 16400 20002 16519 14939 13760 18190 18846 18619 12075 15618 13604 16447 20784 15427 THYROTROPIN RELEASING HORMONE (CAS# 24305-27-9); (M+CL)- 3259 5108 TRANS-ACONITATE (CAS# 4023-65-8); (M-H)- 701363 799426 805391 777549 1152353 973145 583226 869550 649239 888510 744562 859349 820437 856069 1098959 TRANS-VACCENIC ACID (CAS# 693-72-1); (M-H)- 186970 191457 243494 258606 248444 362939 359938 728652 519718 1690876 699756 980209 729733 712945 853124 TRICARBALLYLIC ACID (CAS# 99-14-9); (M-H)- 28956 22867 33316 71508 22977 32751 23394 20666 40700 21922 16556 13046 70397 TRICARBALLYLIC ACID (CAS# 99-14-9); (M-H)-[-H2O] 16449 9194 12874 27157 21322 11818 20477 9262 19792 17056 11017 18100 14572 15503 TRICOSANOIC ACID (CAS# 2433-96-7); (M-H)- 1164 2254 2343 4305 4036 1314 2930 3527 3902 TRIDECANOIC ACID (CAS# 638-53-9); (M-H)- 1724 1627 1022 1491 3741 1135 2071 21283 1768 2691 1595 1907 1440 TRYPTOPHAN (CAS# 73-22-3); (2M-H)- 91257 66285 59693 TRYPTOPHAN (CAS# 73-22-3); (M-H)- 2826116 1780467 2097908 1881353 1752023 1492942 1654867 1740534 1345996 1691424 1558269 1901649 1890647 1635958 2010710 TYROSINE (CAS# 60-18-4); (M-H)- 666519 507551 619137 444917 446161 440496 456989 351292 417731 534970 529042 539312 516405 470531 UDP-GALACTOSE (CAS# 2956-16-3); (M-H)- 191463 322968 UDP-GLUCOSE (CAS# 133-89-1); (M-H)- 189335 321707 UDP-N-ACETYL-D-GALACTOSAMINE (CAS# ); (M-H)+[-H2O] 2136 UDP-N-ACETYL-D-GALACTOSAMINE (CAS# ); (M-H)- 5750904 5717608 9149490 7090542 1209357 18600000 4420812 7855245 2936012 1664577 6200910 11200000 19800000 8034057 2912695 UDP-N-ACETYL-D-GLUCOSAMINE (CAS# 528-04-1); (M-H)- 1272905 564747 1223577 UNK_102.032@0.95445096 172876 155492 52309 60788 243349 5225 135264 185658 190803 60859 175718 129791 285892 UNK_1046.9974@0.9038579 2377 7094 6960 4417 5188 32512 4254 UNK_1058.0605@0.8565561 3968 8156 1714 4552 29125 2333 1265 UNK_1072.0778@0.86120063 10838 13476 33266 40520 93123 UNK_1072.0802@1.1490021 1204 UNK_1088.0316@0.8856118 9141 10659 19820 19325 4817 44790 13726 22162 10736 4199 15775 26353 172063 19350 8702 UNK_112.0162@1.0315467 904981 894112 807432 733497 857880 873102 884982 916372 649137 817996 895609 898484 1149196 901841 1150364 UNK_113.047@0.8391671 83346 26994 4977 92337 12939 UNK_113.9943@0.86500096 11021 9493 3057 7583 UNK_115.9956@0.37962532 1749 1497 193324 1875 1001 1380 UNK_116.0111@0.7210506 247092 417244 397664 430524 490823 366292 482452 480621 444169 478152 528074 524713 327336 550069 493614 UNK_116.0473@2.2491446 426811 217288 258921 185467 167173 116489 115504 120164 81841 158904 155899 123527 131248 128739 152723 UNK_116.9281@24.578915 257799 269058 UNK_1172.0566@1.364414 23161 14756 12712 12948 30271 9530 11233 7361 6655 8324 5734 6523 6600 3143 13762 UNK_118.0266@1.3257294 405168 354861 345590 346056 498816 433375 482923 494555 484758 574285 493396 580652 595841 488666 768161 UNK_118.063@2.828468 133310 138293 125755 105626 241531 187397 226086 182430 55987 344626 127687 51293 101846 130734 302450 UNK_120.0436@4.208075 1637528 1979065 1210481 1344296 1124629 942811 1125774 1405542 1181868 2045031 1968213 760713 1538295 3210267 1850542 UNK_120.1418@19.466957 137537 UNK_120.1418@20.8656 62962 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72683 129995 UNK_983.9982@12.439692 29120 UNK_983.9985@26.89424 29606 1632 UNK_984.1654@1.0482008 8580 4364 20525 19260 8783 UNK_984.3697@22.756065 2148 1300 UNK_986.4692@23.768408 6965 12530 8384 13029 7604 9822 10959 13723 3945 32813 10248 24455 UNK_987.4625@24.26125 17699 13607 61372 29288 50755 67878 62237 9590 18747 101062 13506 55573 81164 76238 UNK_988.3999@22.944458 2305 2140 3426 9583 5804 23623 8211 12813 7232 9101 6738 UNK_989.2225@21.633404 3163 UNK_989.4798@24.697006 9560 12105 57962 30229 27141 50783 61798 7627 12279 111302 8943 46596 86167 107226 UNK_99.0319@1.2331837 33753 29272 20330 19909 21431 10640 10331 13607 15756 18112 13070 10587 9225 16274 16134 UNK_990.0855@22.953222 5036 4386 UNK_991.5645@24.9024 1122 2260 1283 UNK_991.9138@22.90223 7576 5339 3688 5935 6651 6292 UNK_991.917@22.622574 1885 UNK_992.1717@1.0200009 13639 14459 UNK_992.1731@0.71112543 14048 13368 14909 14288 15246 15475 16392 11820 11590 12729 9078 8938 7396 UNK_992.1733@1.03439 44702 27279 35238 27404 30212 21621 27258 19956 19501 27646 14374 18676 21435 12594 17306 UNK_992.4312@23.190498 10982 12198 16178 11121 17098 12248 9221 11645 11520 17106 13615 13172 21092 16664 14904 UNK_992.4888@23.770136 18167 7344 3755 34988 23659 33031 19119 24664 4617 27276 42264 13232 81673 25355 42180 UNK_992.5793@22.567806 11668 UNK_992.6361@25.956116 2118 1815 6037 5964 19414 4320 7392 7186 UNK_993.4895@25.17557 6592 3198 22636 6048 7967 20026 22996 3088 4336 34022 15497 33489 27549 UNK_993.5687@23.66315 6779 5645 4164 3106 3338 4595 7825 2904 9916 7445 8466 UNK_993.5835@25.38905 6137 26962 4781 12313 15462 14390 42578 3743 26692 26391 24641 UNK_993.5886@25.439465 5875 6320 14491 26399 UNK_994.329@22.616415 17562 UNK_994.4169@22.9435 6002 4495 20016 6768 8942 9541 11527 UNK_994.6591@26.739712 1659 52216 24029 27147 42482 53468 2801 1404 108459 48610 74107 85537 UNK_995.4534@23.835693 2889 2101 17637 7907 8160 5360 7462 10620 18234 3572 33559 10960 17016 UNK_995.5023@25.843416 10713 10010 20637 17907 11372 UNK_995.5611@25.544924 5661 16912 9740 16534 21042 23857 5828 42019 41193 32171 26810 UNK_996.0704@22.60076 5214 4307 7703 20885 7816 7919 6589 4569 3846 UNK_996.0709@22.885025 3558 4285 UNK_996.6138@22.425976 16616 8235 8949 12223 7967 8710 8328 7975 9594 7620 11729 7204 9187 7719 11333 UNK_996.613@22.426476 11778 13329 11654 9065 11210 11414 11342 11905 7782 9473 8768 10587 12268 9214 7757 UNK_996.6782@28.022766 2100 39022 20681 21153 UNK_997.2251@22.426308 9835 14399 13151 10616 14617 9077 8190 7784 10769 5959 8186 12432 12493 12513 11336 UNK_997.4819@25.169083 24788 33914 74271 10251 UNK_997.4851@24.9443 23486 33359 21056 24639 28129 UNK_998.0826@22.885057 24479 25256 26919 24414 24336 27389 27461 23675 23796 21486 26459 33546 27368 27534 19998 UNK_998.163@21.70768 29649 UNK_998.446@23.193048 7485 6664 7716 7770 10863 5960 6295 7632 7207 9675 8041 9265 16537 10971 9762 UNK_999.5017@25.000948 16797 UNK_999.5027@25.180614 23699 13879 71694 27772 42727 65339 68081 7158 19322 97149 37432 80594 78094 UNK_999.5044@25.180614 23699 14155 71527 29612 42727 65339 68081 8759 19322 103904 37432 81271 78094 UNK_999.5157@24.992414 11007 15396 16975 27925 19972 URACIL 5-CARBOXYLATE (CAS# 23945-44-0); (M-H)- 24973 22840 20692 21024 URATE (CAS# 69-93-2); (M-H)- 126261 89468 95203 92411 84025 22478 59992 54049 64225 66147 79834 52310 69075 102881 79274 URIDINE (CAS# 58-96-8); (M+CL)- 22129 17137 36699 26779 31186 21991 51356 43334 41193 54171 39059 31871 46070 70724 URIDINE (CAS# 58-96-8); (M+HCOO)- 54489 52445 64164 50935 5268 34440 1565 URIDINE (CAS# 58-96-8); (M-H)- 64960 75358 76738 23441 30226 22288 55107 44560 URIDINE-5-MONOPHOSPHATE (CAS# 58-97-9); (M-H)- 1083 2376 10236 20648 51410 49438 58116 122172 102881 91492 125437 111833 147002 102758 240275 UROCANATE (CAS# 104-98-3); (M-H)- 3573 4997 2968 2435 4506 4001 2531 4381 2393 2880 3880 3086 2637 4023 URSODIOL (CAS# 128-13-2); (M+HCOO)- 6318 URSODIOL (CAS# 128-13-2); (M-H)- 2674209 VALINE (CAS# 72-18-4); (M-H)- 8666 20913 27525 8312 XANTHINE (CAS# 69-89-6); (M-H)- 130831 81821 104188 95293 60612 70542 103171 103024 86901 68975 148073 76240 88152 187416 81219 XANTHOSINE (CAS# 146-80-5); (M-H)- 2958 4117 4079 XANTHOSINE 5'-PHOSPHATE (CAS# 523-98-8); (M-H)- 4101 2980 1684 2716 1301 XYLOSE (CAS# 58-86-6); (M+HCOO)- 137330 202283 237353 312865 293846 348477 360730 327409 315999 374812 250756 259371 238348 227670 256499 ZEATIN [ISTD] (CAS# 13114-27-7); (M+CL)- 1966261 1489197 1503682 1419414 1711727 1579577 1571950 1478275 1443240 1714441 1318420 1526741 1457160 1468281 1949997 ZEATIN [ISTD] (CAS# 13114-27-7); (M-H)- 2998979 2190551 2228585 2170280 2493975 2560915 2305575 2527644 2385789 2700951 2188415 2517214 2327450 2259069 2884312 metabolite_name moverz_quant ri ri_type pubchem_id inchi_key kegg_id other_id other_id_type (-)-SALSOLINOL (CAS# 27740-96-1); (M+CL)- 179.0952 1.39 7157331 (S)-2-AMINO-3-(3-HYDOXY-4-OXO-4H-PYRIDIN-1-YL)PROPANOATE OR L-MIMOSINE (CAS# 500-44-7); (M-H)- 198.0626 0.878 440473 (S)-3-METHYL-2-OXOPENTANOATE (CAS# 1460-34-0); (M-H)- 130.0631 4.314 47 (S)-DIHYDROOROTATE (CAS# 5988-19-2); (M-H)- 158.0328 0.7 1149667 1-AMINOCYCLOPROPANE-1-CARBOXYLATE (CAS# 22059-21-8); (M-H)- 101.0479 1.217 5460234 10-HYDROXYDECANOATE (CAS# 1679-53-4); (M-H)- 188.1407 13.598 6991989 16:0 LYSO PC (CAS# 17364-16-8); (M+CL)- 495.3284 22.348 460602 16:0 LYSO PC (CAS# 17364-16-8); (M+HCOO)- 495.3326 22.249 460602 16:0-18:0 PC (CAS# 59403-51-9); (M+CL)- 761.5868 25.842 18631368 16:0-18:0 PC (CAS# 59403-51-9); (M+HCOO)- 761.5894 25.672 18631368 18:0 LYSO-PE (CAS# 69747-55-3); (M-H)- 481.3143 22.686 9547068 2'-DEOXYGUANOSINE (CAS# 961-07-9); (2M-H)+ 267.0951 1.479 187790 2'-DEOXYGUANOSINE (CAS# 961-07-9); (M+CL)- 267.0946 1.632 187790 2'-DEOXYGUANOSINE (CAS# 961-07-9); (M-H)- 267.0959 2.08 187790 2'-DEOXYINOSINE (CAS# 890-38-0); (M+CL)- 252.0876 1.813 65058 2'-DEOXYINOSINE (CAS# 890-38-0); (M-H)- 252.0859 2.005 65058 2-ACETAMIDO-2-DEOXY-BETA-D-GLUCOSYLAMINE (CAS# 4229-38-3); (M+CL)- 220.1071 0.831 46779877 2-AMINOETHYL DIHYDROGEN PHOSPHATE (CAS# 1071-23-4 ); (M-H)- 141.0189 0.709 1015 2-DEOXY-D-GLUCOSE (CAS# 154-17-6); (M+HCOO)- 164.0674 0.692 439268 2-HYDROXY-3-METHYLBUTYRIC ACID (CAS# 4026-18-0); (M-H)- 118.0625 3.507 853180 2-METHYLGLUTARIC ACID (CAS# 18069-17-5); (M-H)- 146.0577 3.584 12046 2-METHYLMALEATE (CAS# 498-23-7); (M-H)- 130.0269 2.025 643798 2-OXOADIPATE (CAS# 3184-35-8); (M-H)- 160.037 1.37 71 24:0 SM (D18:1/24:0) (CAS# 60037-60-7); (M+HCOO)- 814.696 28.064 44260127 3-(4-HYDROXYPHENYL)LACTATE (CAS# 6482-98-0); (M-H)- 182.0573 3.829 9378 3-(4-HYDROXYPHENYL)PYRUVATE (CAS# 156-39-8 ); (M-H)- 180.0433 2.488 979 3-DEHYDROSHIKIMATE (CAS# 2922-42-1); (M-H)- 172.0377 0.877 439774 3-HYDROXY-3-METHYLGLUTARATE (CAS# 503-49-1); (M-H)- 162.0526 1.633 1662 3-HYDROXYBENZALDEHYDE (CAS# 100-83-4); (M-H)- 122.0378 4.971 101 3-HYDROXYPHENYLACETATE (CAS# 621-37-4); (M-H)- 152.0467 7.908 12122 3-HYDROXYPYRUVIC ACID (CAS# 1113-60-6); (M+HCOO)- 104.0101 0.682 964 3-METHYGLUTARIC ACID (CAS# 626-51-7); (M-H)- 146.0577 3.572 12284 3-METHYLADIPIC ACID (CAS# 3058-01-3); (M-H)- 160.0733 5.712 12292 3-PHOSPHOGLYCERATE (CAS# ); (M-H)- 185.9944 0.741 439183 3-SULFINO-L-ALANINE (CAS# 1115-65-7); (M-H)- 153.0088 0.689 109 4-ACETAMINOPHEN SULFATE (CAS# 32113-41-0); (M-H)- 231.0202 2.417 83939 4-COUMARATE (CAS# 501-98-4); (M-H)- 164.0464 6.68 637542 4-HYDROXYBENZALDEHYDE (CAS# 123-08-0); (M-H)- 122.0378 4.985 126 4-HYDROXYBENZOATE (CAS# 99-96-7); (M-H)- 138.031 4.091 135 4-HYDROXYPHENYLACETATE (CAS# 156-38-7); (M-H)- 152.0463 4.809 127 4-METHYL-2-OXOPENTANOATE (CAS# 816-66-0); (M-H)- 130.063 4.718 70 4-METHYL-2-OXOVALERIC ACID (CAS# 816-66-0); (M-H)- 130.063 4.718 70 4-NITROCATECHOL (CAS# 3316-09-4); (M-H)- 155.0216 5.42 3505109 4-NITROPHENOL (CAS# 100-02-7); (M-H)- 139.0262 7.072 980 5'-DEOXYADENOSINE (CAS# 4754-39-6); (M+CL)- 251.1021 2.782 439182 5'-DEOXYADENOSINE (CAS# 4754-39-6); (M+HCOO)- 251.1 2.661 439182 5'-METHYLTHIOADENOSINE (CAS# 2457-80-9); (M+CL)- 297.0897 4.526 439176 5'-METHYLTHIOADENOSINE (CAS# 2457-80-9); (M+HCOO)- 297.0895 4.522 439176 5-AMINOPENTANOATE (CAS# 660-88-8); (M-H)- 117.0781 0.764 138 5-HYDROXYTRYPTOPHAN (CAS# 4350-09-8); (M-H)- 220.0832 1.81 439280 5-METHYLTETRAHYDROFOLATE (CAS# 134-35-0); (M-H)- 459.1878 3.731 9825434 5-OXOPROLINE (CAS# 4042-36-8); (M-H)- 129.0424 1.206 7405 6-CARBOXYHEXANOATE (CAS# 111-16-0); (M-H)- 160.0733 5.712 385 6-HYDROXYNICOTINATE (CAS# 5006-66-6); (M-H)- 139.0281 1.641 72924 7-AMINOCEPHALOSPORANIC ACID (CAS# 957-68-6); (M-H)- 272.0483 1.445 441328 ADENINE (CAS# 73-24-5); (M-H)- 135.0536 0.841 190 ADENOSINE (CAS# 58-61-7); (M+CL)- 267.0946 1.632 60961 ADENOSINE (CAS# 58-61-7); (M+HCOO)- 267.0958 1.806 60961 ADENOSINE 5'-MONOPHOSPHATE (CAS# 61-19-8); (2M-H)+ 347.0637 0.946 6083 ADENOSINE 5'-MONOPHOSPHATE (CAS# 61-19-8); (M-H)- 347.0636 0.994 6083 ADIPIC ACID (CAS# 124-04-9 ); (M-H)- 146.0577 3.572 196 ADP-RIBOSE (CAS# ); (M-H)- 559.0718 0.836 33576 ADPGLUCOSE (CAS# ); (M-H)- 589.0819 1.052 16500 ALLOSE (CAS# 2595-97-3); (M-H)+[-H2O] 180.0642 1.633 439507 ALPHA-D-GALACTOSE 1-PHOSPHATE (CAS# 2255-14-3); (M-H)- 260.0305 0.726 123912 ALPHA-LINOLENIC ACID (CAS# 463-40-1); (M+HCOO)- 278.2225 22.862 5280934 ARABITOL (CAS# 7643-75-6); (M+CL)- 152.0697 0.755 94154 ARACHIDIC ACID (CAS# 506-30-9); (M-H)- 312.3028 23.59 10467 ARACHIDONATE (CAS# 506-32-1); (M-H)- 304.2401 22.72 444899 ASPARTATE (CAS# 56-84-8); (M+HCOO)- 133.0379 0.686 5960 ASPARTATE (CAS# 56-84-8); (M-H)- 133.0375 0.663 5960 AZELAIC ACID (CAS# 123-99-9); (M-H)- 188.1043 10.771 2266 BEHENIC ACID (CAS# 112-85-6); (M-H)- 340.3327 24.071 8215 BENZALDEHYDE (CAS# 100-52-7); (M+HCOO)- 106.0408 4.809 240 BENZOATE (CAS# 65-85-0); (M-H)- 122.0378 5.502 243 BETA-ALANINE (CAS# 107-95-9); (M-H)- 89.0479 0.682 239 BETA-MALTOSE (CAS# 69-79-4); (2M-H)-[-H2O] 342.1186 0.626 439186 BETA-MALTOSE (CAS# 69-79-4); (M+HCOO)- 342.1168 0.643 439186 BILIVERDIN (CAS# 114-25-0); (M-H)- 582.2521 18.55 5280353 BIOTIN (CAS# 58-85-5); (M-H)- 244.0863 6.283 11966127 BOC-ALA-OH (CAS# 15761-38-3); (M-H)- 189.0992 9.462 85082 C12 GALACTOSYL(BETA) CERAMIDE (D18:1/12:0) (CAS# 41613-14-3); (M+CL)- 643.508 23.017 46891735 C12 GALACTOSYL(BETA) CERAMIDE (D18:1/12:0) (CAS# 41613-14-3); (M+HCOO)- 643.4966 23.187 46891735 CAPRYLIC ACID (CAS# 124-07-2); (M-H)- 144.1144 10.105 379 CHOLATE (CAS# 81-25-4); (M+CL)- 408.286 20.346 221493 CHOLATE (CAS# 81-25-4); (M-H)- 408.2865 20.353 221493 CHOLINE PHOSPHATE (CAS# 107-73-3); (M+HCOO)- 183.0664 0.822 1014 CIS-11-EICOSENOIC ACID (CAS# 5561-99-9); (M-H)- 310.287 23.262 5282768 CIS-ACONITATE (CAS# 585-84-2); (M-H)- 174.0165 1.169 643757 CIS-VACCENIC ACID (CAS# 506-17-2); (M-H)- 282.2563 22.939 5282761 CIS-ZEATIN (CAS# 1637-39-4); (M+CL)- 219.1121 3.927 688597 CIS-ZEATIN (CAS# 1637-39-4); (M-H)- 219.1122 3.928 688597 CITRAMALATE (CAS# 2306-22-1); (M-H)- 148.0376 1.42 441696 CITRATE (CAS# 77-92-9); (M-H)- 192.027 1.036 311 CORTISOL (CAS# 50-23-7); (M+CL)- 362.2097 13.84 5754 CORTISOL (CAS# 50-23-7); (M+HCOO)- 362.2095 13.841 5754 CYCLOHEPTANECARBOXYLIC ACID (CAS# 1460-16-8); (M+HCOO)- 142.0988 10.771 15091 CYSTATHIONINE (CAS# 56-88-2); (M-H)- 222.0654 0.667 439258 CYTIDINE (CAS# 65-46-3); (M+CL)- 243.0851 0.684 6175 CYTIDINE (CAS# 65-46-3); (M-H)- 243.0866 0.671 6175 CYTIDINE 5'-DIPHOSPHOCHOLINE (CAS# 987-78-0); (M+CL)- 488.1105 0.705 13804 CYTIDINE 5'-DIPHOSPHOCHOLINE (CAS# 987-78-0); (M+HCOO)- 488.1091 0.731 13804 D-(-)-ARABINOSE (CAS# 10323-20-3); (M+HCOO)- 150.0528 0.67 66308 D-GALACTOSAMINE (CAS# 7535-00-4); (M+CL)- 179.081 0.797 3034366 D-GALACTOSAMINE (CAS# 7535-00-4); (M+HCOO)- 179.0794 0.919 3034366 D-GLUCOSAMINE (CAS# 3416-24-8); (M+CL)- 179.081 0.805 439213 D-GLUCOSE 6-PHOSPHATE (CAS# 56-73-5); (M-H)- 260.0305 0.767 5958 D-LYXOSE (CAS# 1114-34-7); (M+HCOO)- 150.0528 0.67 65550 D-LYXOSE (CAS# 1114-34-7); (M-H)- 150.0529 0.683 65550 D-MANNOSAMINE (CAS# 14307-02-9); (M+HCOO)- 179.0792 0.907 3034366 D-ORNITHINE (CAS# 348-66-3); (M-H)- 132.089 0.642 6262 D-PSICOSE (CAS# 551-68-8); (M+CL)- 180.0642 0.658 90008 D-TAGATOSE (CAS# 87-81-0); (M+CL)- 180.0642 0.658 90008 DAMP (CAS# 653-63-4); (M-H)- 331.0666 1.125 12599 DECANOATE (CAS# 334-48-5); (M-H)- 172.1457 19.851 2969 DEHYDROASCORBATE (CAS# 490-83-5); (M+HCOO)- 174.0177 0.87 210328 DEHYDROASCORBATE (CAS# 490-83-5); (M-H)- 174.0167 0.815 210328 DEOXYCHOLIC ACID (CAS# 83-44-3); (2M-H)- 392.2927 21.71 222528 DEOXYCHOLIC ACID (CAS# 83-44-3); (M+CL)- 392.293 21.71 222528 DEOXYCHOLIC ACID (CAS# 83-44-3); (M-H)- 392.2934 21.709 222528 DEOXYCYTIDINE (CAS# 951-77-9); (M+HCOO)- 227.0902 0.991 13711 DEOXYCYTIDINE (CAS# 951-77-9); (M-H)- 227.0889 0.689 13711 DEOXYGUANOSINE 5'-TRIPHOSPHATE (CAS# 2564-35-4); (M-H)- 506.9955 4.025 65103 DEOXYURIDINE (CAS# 951-78-0); (M+CL)- 228.0739 1.686 13712 DEPHOSPHO-COA (CAS# 3633-59-8); (M-H)- 687.1504 3.774 444485 DGDP (CAS# 653-63-4); (M-H)- 427.0278 1.2 439220 DGMP (CAS# 902-04-5); (M-H)- 347.0632 1.309 6994968 DIACETYL (CAS# 431-03-8); (M+HCOO)- 86.0364 2.062 650 DIHYDROXYMANDELIC ACID (CAS# 775-01-9); (M-H)- 184.0377 1.033 85782 EDTA (CAS# 60-00-4); (M-H)- 292.0887 1.15 6049 ELAIDIC ACID (CAS# 112-79-8); (M-H)- 282.2563 22.939 637517 EPIBRASSINOLIDE [ISTD] (CAS# 78821-43-9); (M+CL)- 480.3455 19.823 115196 EPIBRASSINOLIDE [ISTD] (CAS# 78821-43-9); (M+HCOO)- 480.3456 19.823 115196 ERUCIC ACID (CAS# 112-86-7); (M-H)- 338.3164 23.611 5281116 ETHANOLAMINE PHOSPHATE (CAS# 1071-23-4); (M-H)- 141.0189 0.723 1015 ETHYLMALONIC ACID (CAS# 601-75-2); (M-H)- 132.0417 2.559 11756 FERULATE (CAS# 1135-24-6); (M-H)- 194.0577 8.113 445858 FLAVIN ADENINE DINUCLEOTIDE (CAS# 146-14-5); (M-H)- 785.1576 6.326 643975 FOLIC ACID (CAS# 59-30-3); (M-H)- 441.1394 5.928 6037 FRUCTOSE (CAS# 57-48-7); (M+CL)- 180.0642 0.658 5984 FRUCTOSE (CAS# 57-48-7); (M+HCOO)- 180.0635 0.623 5984 FUMARATE (CAS# 110-17-8); (M-H)- 116.0114 1.266 444972 GALACTARATE (CAS# 526-99-8); (M-H)- 210.0394 0.675 3037582 GALACTURONIC ACID (CAS# 91510-62-2); (M-H)- 194.0427 0.678 84740 GAMMA-BUTYROLACTONE (CAS# 96-48-0); (M+HCOO)- 86.0364 2.062 7302 GAMMA-L-GLUTAMYL-L-CYSTEINE (CAS# 686-58-8); (M-H)- 250.0608 0.804 123938 GAMMA-LINOLENIC ACID (CAS# 506-26-3); (M+HCOO)- 278.2225 22.862 5280933 GDPGLUCOSE (CAS# ); (M-H)- 605.0726 1.705 644106 GDPMANNOSE (CAS# ); (M-H)- 605.0771 0.895 18396 GIBBERELLIC ACID [ISTD] (CAS# 77-06-5); (2M-H)- 346.1415 8.534 6466 GIBBERELLIC ACID [ISTD] (CAS# 77-06-5); (M+CL)- 346.1417 8.532 6466 GIBBERELLIC ACID [ISTD] (CAS# 77-06-5); (M-H)- 346.1417 8.532 6466 GLUCARIC ACID (CAS# 87-73-0); (M-H)+[-H2O] 210.0387 0.742 33037 GLUCARIC ACID (CAS# 87-73-0); (M-H)- 210.0392 0.675 33037 GLUCONIC ACID (CAS# 526-95-4); (M-H)- 196.0582 0.67 10690 GLUCOSE (CAS# 50-99-7); (2M+HCOO)-[-H2O] 180.064 0.659 5793 GLUCOSE (CAS# 50-99-7); (M+CL)- 180.0642 0.658 5793 GLUCOSE 1-PHOSPHATE (CAS# 59-56-3); (M-H)- 260.0305 0.733 65533 GLUCURONIC ACID (CAS# 6556-12-3); (M-H)- 194.0427 0.678 94715 GLUTAMATE (CAS# 56-86-0); (M-H)- 147.0535 0.666 33032 GLUTAMINE (CAS# 56-85-9); (M-H)- 146.0677 0.645 5961 GLUTARATE (CAS# 110-94-1); (M-H)- 132.0418 2.063 743 GLUTATHIONE (CAS# 27025-41-8); (M-H)- 612.1523 1.367 124886 GLYCERALDEHYDE (CAS# 367-47-5); (2M-H)-[-H2O] 90.0314 1.632 79014 GLYCEROL 2-PHOSPHATE (CAS# ); (M-H)- 172.0146 0.72 2526 GLYCINE (CAS# 56-40-6); (M-H)- 75.0326 0.826 750 GUANINE (CAS# 73-40-5); (M-H)- 151.0482 0.827 764 GUANOSINE (CAS# 118-00-3); (M+CL)- 283.0943 1.839 6802 GUANOSINE (CAS# 118-00-3); (M-H)- 283.0902 1.851 6802 GUANOSINE 5'-DIPHOSPHO-BETA-L-FUCOSE (CAS# 0); (M-H)- 589.0821 1.052 451 GUANOSINE 5'-PHOSPHATE (CAS# 85-32-5); (2M-H)+ 363.0576 0.96 6804 GUANOSINE 5'-PHOSPHATE (CAS# 85-32-5); (M-H)- 363.0581 0.992 6804 HEPTADECANOATE (CAS# 506-12-7); (M-H)- 270.2561 23.005 10465 HEXACOSANOIC ACID (CAS# 506-46-7); (M-H)- 396.3948 25.588 10469 HYODEOXYCHOLATE (CAS# 83-49-8); (M-H)- 392.2954 22.877 5283820 HYPOXANTHINE (CAS# 68-94-0); (M-H)- 136.0381 1.087 790 IMIDAZOLE-4-ACETATE (CAS# 645-65-8); (M-H)- 126.0425 0.684 96215 INOSINE (CAS# 58-63-9); (M+CL)- 268.0834 1.739 6021 INOSINE (CAS# 58-63-9); (M-H)- 268.0811 1.846 6021 ISOCITRATE (CAS# 320-77-4); (M-H)- 192.027 0.742 5318532 ISOLEUCINE (CAS# 73-32-5); (M-H)- 131.0944 1.525 6306 ITACONATE (CAS# 97-65-4); (M-H)- 130.0269 1.794 811 JASMONIC ACID [ISTD] (CAS# 77026-92-7); (2M-H)- 210.1251 13.181 5281166 JASMONIC ACID [ISTD] (CAS# 77026-92-7); (M-H)- 210.1257 13.18 5281166 KYNURENINE (CAS# 343-65-7); (M-H)- 208.0839 2.224 161166 L-ARGININE (CAS# 74-79-3); (M-H)- 174.1111 0.624 6322 L-ARGININE-(GUANIDINEIMINO-15N2) [ISTD] (CAS# ); (M-H)- 176.1072 0.624 16217579 L-GULONATE (CAS# 6322-07-2); (M-H)- 196.0583 0.67 152304 L-HISTIDINE (CAS# 71-00-1); (M-H)- 155.0694 0.623 6274 L-METHIONINE SULFOXIMINE (CAS# 15985-39-4); (M-H)- 180.0573 0.683 89034 L-ORNITHINE (CAS# 70-26-8); (M-H)- 132.089 0.642 6262 L-RHAMNOSE (CAS# 10030-85-0); (M+HCOO)- 164.0673 0.692 25310 L-TRYPTOPHAN-15N2 [ISTD] (CAS# ); (M-H)- 206.0852 3.652 16217285 L-[15N]ANTHRANILIC ACID [ISTD] (CAS# ); (M-H)- 138.0444 5.376 227 LACTOSE (CAS# 63-42-3); (M-H)- 342.1159 0.566 440995 LAURIC ACID (CAS# 143-07-7); (M-H)- 200.1774 21.776 3893 LEUCINE (CAS# 328-39-2); (M-H)- 131.0944 1.538 6106 LIGNOCERIC ACID (CAS# 557-59-5); (M-H)- 368.3654 24.718 11197 LINOLEATE (CAS# 60-33-3); (M-H)- 280.2406 22.735 5280450 MALATE (CAS# 97-67-6); (M-H)+[-H2O] 134.0228 0.717 222656 MALATE (CAS# 97-67-6); (M-H)- 134.0216 0.817 222656 MALEAMATE (CAS# 557-24-4); (M-H)- 115.0277 0.632 5280451 MALEIC ACID (CAS# 110-16-7); (M-H)- 116.0114 1.022 444266 MALTOSE (CAS# 69-79-4); (M+HCOO)- 342.1168 0.643 439186 MANDELIC ACID (CAS# 611-71-2); (M-H)- 152.0467 6.338 11914 MANNOSE-6-PHOSPHATE (CAS# 3672-15-9); (M-H)- 260.0305 0.732 439198 MELIBIOSE (CAS# 585-99-9); (M+HCOO)- 342.1168 0.643 440658 METHIONINE (CAS# 63-68-3); (M-H)- 149.0508 0.878 6137 METHYL BETA-D-GALACTOSIDE (CAS# 1824-94-8); (M+CL)- 194.0798 0.705 94214 METHYLMALONATE (CAS# 516-05-2); (M-H)- 118.0267 1.331 487 MONO-METHYL GLUTARATE (CAS# 1501-27-5); (M-H)- 146.0577 3.572 73917 MYRISTIC ACID (CAS# 544-63-8); (M-H)- 228.2087 22.464 11005 MYRISTOLEIC ACID (CAS# 544-64-9); (M-H)- 226.1932 22.057 5281119 N-ACETYL-D-GLUCOSAMINE (CAS# 7512-17-6); (M+CL)- 221.0913 0.683 446101 N-ACETYL-D-MANNOSAMINE (CAS# 3615-17-6); (M+CL)- 221.0913 0.683 53477792 N-ACETYL-D-TRYPTOPHAN (CAS# 2280-01-5); (M-H)- 246.0982 8.005 439917 N-ACETYL-DL-GLUTAMIC ACID (CAS# 5817-08-3); (M-H)- 189.0633 1.321 185 N-ACETYL-DL-METHIONINE (CAS# 1115-47-5); (M-H)- 191.061 4.08 448580 N-ACETYL-DL-SERINE (CAS# 97-14-3); (M-H)- 147.0535 0.666 65249 N-ACETYL-L-ALANINE (CAS# 97-69-8); (M-H)- 131.0576 1.49 88064 N-ACETYL-L-ASPARTIC ACID (CAS# 997-55-7); (M-H)- 175.0468 0.998 65065 N-ACETYL-L-CYSTEINE (CAS# 616-91-1); (M-H)- 324.0428 3.637 12035 N-ACETYL-L-LEUCINE (CAS# 1188-21-2); (M-H)- 173.1047 7.177 75619 N-ACETYL-L-PHENYLALANINE (CAS# 2018-61-3); (M-H)- 207.0887 7.744 74839 N-ACETYLGALACTOSAMINE (CAS# 1811-31-0); (M+CL)- 221.0913 0.683 35717 N-ACETYLGLYCINE (CAS# 543-24-8); (M-H)- 117.0421 0.979 1097 N-ACETYLNEURAMINATE (CAS# 131-48-6); (M-H)- 309.1041 0.717 439197 N-AMIDINO-L-ASPARTATE (CAS# 6133-30-8); (M-H)+[-H2O] 175.0608 0.75 439918 N-CYCLOHEXYLSULFAMIC ACID (CAS# 100-88-9); (2M-H)- 179.0604 4.196 7533 N-METHYL-D-ASPARTIC ACID (CAS# 6384-92-5); (M-H)- 147.0535 0.666 4376 NAD (CAS# 53-84-9); (M-H)- 663.1088 1.041 5893 NERVONIC ACID (CAS# 506-37-6); (M-H)- 366.3502 24.142 5281120 NICOTINAMIDE HYPOXANTHINE DINUCLEOTIDE (CAS# 22052-73-9); (M-H)- 664.0952 0.888 440334 NICOTINIC ACID ADENINE DINUCLEOTIDE PHOSPHATE (CAS# 5502-96-5); (M-H)- 744.0604 1.275 52942300 NONANOATE (CAS# 112-05-0); (M-H)- 158.1293 18.392 8158 NORLEUCINE (CAS# 327-57-1); (M-H)- 131.0944 1.544 21236 O-PHOSPHO-DL-SERINE (CAS# 17885-08-4); (2M-H)+ 185.0072 0.889 106 O-SUCCINYL-L-HOMOSERINE (CAS# 1492-23-5); (M-H)- 219.0743 1.117 439406 OLEIC ACID (CAS# 112-80-1); (M-H)- 282.2563 22.939 445639 OMEGA-HYDROXYDODECANOIC ACID (CAS# 505-95-3); (M-H)- 216.1715 17.048 79034 OPHTHALMIC ACID (CAS# 495-27-2); (M-H)- 289.1249 1.466 7018721 OROTATE (CAS# 65-86-1); (M-H)- 156.0157 0.836 967 OXALATE (CAS# 144-62-7); (M-H)- 89.996 0.782 971 OXALOACETATE (CAS# 328-42-7); (M-H)-[-H2O] 132.0046 0.863 970 OXIDIZED GLUTATHIONE (CAS# 27025-41-8); (M-2H)-2 612.149 1.016 65359 OXIDIZED GLUTATHIONE (CAS# 27025-41-8); (M-H)- 612.1523 1.367 65359 PALATINOSE (CAS# 343336-76-5); (M+HCOO)- 342.1168 0.643 439559 PALMITATE (CAS# 57-10-3); (M-H)- 256.2404 22.864 985 PALMITOLEIC ACID (CAS# 373-49-9); (M-H)- 254.2247 22.599 445638 PANTOTHENATE (CAS# 79-83-4); (M+CL)- 219.1096 3.251 6613 PANTOTHENATE (CAS# 79-83-4); (M-H)- 219.1101 3.28 6613 PENICILLAMINE (CAS# 52-67-5); (2M-H)+[-H2] 149.0524 1.626 5852 PENTANOATE (CAS# 109-52-4); (M+HCOO)- 102.0675 1.805 7991 PHENYL ACETATE (CAS# 122-79-2); (M+HCOO)- 136.0518 3.829 999 PHENYL ACETATE (CAS# 122-79-2); (M-H)- 136.0517 3.869 999 PHENYLALANINE (CAS# 63-91-2); (M-H)- 165.0789 2.532 6140 PHOSPHOCREATINE (CAS# 67-07-2); (M-H)- 211.0352 0.807 9548602 PHTHALATE (CAS# 88-99-3); (M-H)- 166.0263 4.828 1017 PHYTANATE (CAS# 14721-66-5); (M-H)- 312.302 23.3 10380830 PINITOL (CAS# 10284-63-6); (M+CL)- 194.0798 0.705 164619 PROCOLLAGEN 5-HYDROXY-L-LYSINE (CAS# 1190-94-9); (M-H)- 162.099 0.568 83228 PROPENOATE (CAS# 79-10-7); (M-H)- 72.0218 1.222 6581 PROSTAGLANDIN E2 (CAS# 363-24-6); (M-H)- 352.2235 16.867 5280360 PTERIN (CAS# 2236-60-4); (M-H)- 163.0507 1.627 73000 PURINE (CAS# 120-73-0); (M-H)- 120.0436 1.473 1044 PYRUVATE (CAS# 127-17-3); (M-H)- 88.0166 0.778 1060 RAC-GLYCEROL 1-MYRISTATE (CAS# 75685-84-6); (M+CL)- 302.2478 22.446 79050 RAFFINOSE (CAS# 512-69-6); (M+CL)- 504.1656 0.699 439242 RAFFINOSE (CAS# 512-69-6); (M+HCOO)- 504.172 0.72 439242 RETINOATE (CAS# 302-79-4); (M-H)- 300.2113 22.289 444795 RIBITOL (CAS# 488-81-3); (M+CL)- 152.0697 0.755 94154 S-ADENOSYL-L-HOMOCYSTEINE (CAS# 979-92-0); (M+CL)- 384.1179 1.537 439155 S-ADENOSYL-L-HOMOCYSTEINE (CAS# 979-92-0); (M-H)- 384.1207 1.549 439155 SALICYLATE (CAS# 69-72-7); (M-H)- 138.0306 8.261 338 SEBACIC ACID (CAS# 111-20-6); (M-H)- 202.1202 12.987 5192 SERINE (CAS# 56-45-1); (M-H)- 105.0425 0.626 617 SN-GLYCERO-3-PHOSPHOCHOLINE (CAS# 28319-77-9); (M+CL)- 257.1029 0.674 439285 SN-GLYCERO-3-PHOSPHOCHOLINE (CAS# 28319-77-9); (M+HCOO)- 257.1016 0.697 439285 STACHYOSE (CAS# 54261-98-2); (M-H)- 666.2218 0.626 439531 STEARATE (CAS# 57-11-4); (M-H)- 284.2718 23.191 5281 SUBERIC ACID (CAS# 505-48-6); (M-H)- 174.0886 8.281 10457 SUCCINATE (CAS# 110-15-6); (M-H)- 118.0266 1.326 1110 SUCROSE (CAS# 57-50-1); (M+HCOO)- 342.1168 0.643 5988 TARTARIC ACID (CAS# 87-69-4); (M-H)- 150.0158 0.681 875 TAURINE (CAS# 107-35-7); (M-H)- 125.0148 0.639 1123 TEREPHTHALATE (CAS# 100-21-0); (M-H)- 166.0256 5.853 7489 THREONINE (CAS# 72-19-5); (M+HCOO)-[-H2O] 119.0588 0.667 6288 THROMBOXANE B2 (CAS# 54397-85-2); (M-H)-[-H2O] 370.234 16.867 5283137 THYMINE (CAS# 65-71-4); (M-H)- 126.0426 1.734 1135 THYROTROPIN RELEASING HORMONE (CAS# 24305-27-9); (M+CL)- 362.1727 1.499 638678 TRANS-ACONITATE (CAS# 4023-65-8); (M-H)- 174.0165 1.169 444212 TRANS-VACCENIC ACID (CAS# 693-72-1); (M-H)- 282.2563 22.939 5281127 TRICARBALLYLIC ACID (CAS# 99-14-9); (M-H)- 176.0319 1.423 14925 TRICARBALLYLIC ACID (CAS# 99-14-9); (M-H)-[-H2O] 176.0312 1.36 14925 TRICOSANOIC ACID (CAS# 2433-96-7); (M-H)- 354.3488 24.376 17085 TRIDECANOIC ACID (CAS# 638-53-9); (M-H)- 214.1928 22.178 12530 TRYPTOPHAN (CAS# 73-22-3); (2M-H)- 204.0879 3.648 6305 TRYPTOPHAN (CAS# 73-22-3); (M-H)- 204.0893 3.652 6305 TYROSINE (CAS# 60-18-4); (M-H)- 181.0736 1.358 6057 UDP-GALACTOSE (CAS# 2956-16-3); (M-H)- 566.0557 1.083 44134987 UDP-GLUCOSE (CAS# 133-89-1); (M-H)- 566.0557 1.083 53477679 UDP-N-ACETYL-D-GALACTOSAMINE (CAS# ); (M-H)+[-H2O] 607.0868 0.814 23724461 UDP-N-ACETYL-D-GALACTOSAMINE (CAS# ); (M-H)- 607.0825 0.859 23724461 UDP-N-ACETYL-D-GLUCOSAMINE (CAS# 528-04-1); (M-H)- 607.0815 1.07 445675 UNK_102.032@0.95445096 102.032 0.954 UNK_1046.9974@0.9038579 1046.9974 0.904 UNK_1058.0605@0.8565561 1058.0605 0.857 UNK_1072.0778@0.86120063 1072.0778 0.861 UNK_1072.0802@1.1490021 1072.0802 1.149 UNK_1088.0316@0.8856118 1088.0316 0.886 UNK_112.0162@1.0315467 112.0162 1.032 UNK_113.047@0.8391671 113.047 0.839 UNK_113.9943@0.86500096 113.9943 0.865 UNK_115.9956@0.37962532 115.9956 0.38 UNK_116.0111@0.7210506 116.0111 0.721 UNK_116.0473@2.2491446 116.0473 2.249 UNK_116.9281@24.578915 116.9281 24.579 UNK_1172.0566@1.364414 1172.0566 1.364 UNK_118.0266@1.3257294 118.0266 1.326 UNK_118.063@2.828468 118.063 2.828 UNK_120.0436@4.208075 120.0436 4.208 UNK_120.1418@19.466957 120.1418 19.467 UNK_120.1418@20.8656 120.1418 20.866 UNK_120.1418@9.299914 120.1418 9.3 UNK_120.1419@14.335609 120.1419 14.336 UNK_120.1419@15.165642 120.1419 15.166 UNK_120.1419@16.49128 120.1419 16.491 UNK_120.1419@19.632263 120.1419 19.632 UNK_120.1419@23.93679 120.1419 23.937 UNK_120.1422@14.157933 120.1422 14.158 UNK_120.1422@19.830332 120.1422 19.83 UNK_120.1422@9.134232 120.1422 9.134 UNK_120.1423@24.211742 120.1423 24.212 UNK_120.1424@25.658293 120.1424 25.658 UNK_120.1425@18.96848 120.1425 18.968 UNK_120.1425@24.615276 120.1425 24.615 UNK_120.1426@14.894356 120.1426 14.894 UNK_120.1428@13.593199 120.1428 13.593 UNK_120.1428@19.18661 120.1428 19.187 UNK_120.1429@10.801898 120.1429 10.802 UNK_120.142@11.142657 120.142 11.143 UNK_120.142@16.3344 120.142 16.334 UNK_120.142@20.559494 120.142 20.559 UNK_121.0455@27.52185 121.0455 27.522 UNK_1268.08@0.8932149 1268.08 0.893 UNK_128.0579@0.8632859 128.0579 0.863 UNK_129.0424@1.1761836 129.0424 1.176 UNK_130.0269@0.84522814 130.0269 0.845 UNK_130.063@4.3859982 130.063 4.386 UNK_131.0478@1.2012237 131.0478 1.201 UNK_131.0576@1.4895486 131.0576 1.49 UNK_131.0944@1.5250505 131.0944 1.525 UNK_131.9517@24.480469 131.9517 24.48 UNK_131.9736@0.55916727 131.9736 0.559 UNK_132.0532@0.67599994 132.0532 0.676 UNK_132.0783@6.2033477 132.0783 6.203 UNK_133.0377@0.68222785 133.0377 0.682 UNK_133.9306@24.692005 133.9306 24.692 UNK_134.0216@0.729334 134.0216 0.729 UNK_134.0579@0.7082013 134.0579 0.708 UNK_135.0526@0.85064393 135.0526 0.851 UNK_1354.2971@13.060103 1354.2971 13.06 UNK_136.0375@0.7159452 136.0375 0.716 UNK_1360.3202@13.063018 1360.3202 13.063 UNK_138.0306@8.260685 138.0306 8.261 UNK_138.0444@5.3755584 138.0444 5.376 UNK_139.0265@7.0728602 139.0265 7.073 UNK_141.019@0.7726475 141.019 0.773 UNK_141.9945@0.6755005 141.9945 0.676 UNK_1428.3019@13.068884 1428.3019 13.069 UNK_1435.7032@12.667887 1435.7032 12.668 UNK_144.0533@0.68822265 144.0533 0.688 UNK_145.0521@7.7243195 145.0521 7.724 UNK_145.0736@8.193995 145.0736 8.194 UNK_146.0215@1.0355014 146.0215 1.036 UNK_146.058@3.5697668 146.058 3.57 UNK_146.07@0.6416005 146.07 0.642 UNK_146.9368@24.604893 146.9368 24.605 UNK_147.0535@0.66625047 147.0535 0.666 UNK_148.0371@1.3685025 148.0371 1.369 UNK_148.0521@2.531738 148.0521 2.532 UNK_149.0508@0.8137008 149.0508 0.814 UNK_149.0577@0.6664449 149.0577 0.666 UNK_149.9566@0.52090955 149.9566 0.521 UNK_150.0529@0.6732278 150.0529 0.673 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UNK_503.3011@22.428236 503.3011 22.428 UNK_503.9247@0.5500004 503.9247 0.55 UNK_504.0708@13.065313 504.0708 13.065 UNK_504.0829@0.7809006 504.0829 0.781 UNK_504.1835@22.824965 504.1835 22.825 UNK_504.4153@23.246536 504.4153 23.247 UNK_504.9264@0.54583365 504.9264 0.546 UNK_505.2814@22.47741 505.2814 22.477 UNK_505.3008@22.481575 505.3008 22.482 UNK_505.3138@22.55288 505.3138 22.553 UNK_505.3201@22.37112 505.3201 22.371 UNK_505.9274@0.561471 505.9274 0.561 UNK_506.0834@1.4045737 506.0834 1.405 UNK_506.1858@22.627682 506.1858 22.628 UNK_506.4315@22.76122 506.4315 22.761 UNK_507.27@20.401857 507.27 20.402 UNK_507.3304@22.685045 507.3304 22.685 UNK_508.0851@13.0654 508.0851 13.065 UNK_508.1035@3.6513014 508.1035 3.651 UNK_508.1574@22.665726 508.1574 22.666 UNK_508.1937@0.6760717 508.1937 0.676 UNK_508.2005@22.87152 508.2005 22.872 UNK_508.226@13.179191 508.226 13.179 UNK_508.2311@21.420874 508.2311 21.421 UNK_509.4808@23.837448 509.4808 23.837 UNK_510.0648@10.25982 510.0648 10.26 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UNK_515.3312@10.711942 515.3312 10.712 UNK_516.0745@0.94633484 516.0745 0.946 UNK_516.126@18.245056 516.126 18.245 UNK_516.1361@22.064573 516.1361 22.065 UNK_516.2888@24.138088 516.2888 24.138 UNK_516.3222@19.822647 516.3222 19.823 UNK_516.3762@22.94989 516.3762 22.95 UNK_516.3777@22.855513 516.3777 22.856 UNK_517.0859@3.1482644 517.0859 3.148 UNK_517.0861@3.0112622 517.0861 3.011 UNK_517.9029@0.54736406 517.9029 0.547 UNK_518.0935@12.734294 518.0935 12.734 UNK_518.2503@21.773464 518.2503 21.773 UNK_518.3949@22.667501 518.3949 22.668 UNK_518.3998@22.602932 518.3998 22.603 UNK_518.4298@22.779768 518.4298 22.78 UNK_519.2069@0.674438 519.2069 0.674 UNK_519.2573@21.84628 519.2573 21.846 UNK_520.1598@22.596735 520.1598 22.597 UNK_521.0899@0.8382677 521.0899 0.838 UNK_521.2718@22.242718 521.2718 22.243 UNK_521.2741@22.285353 521.2741 22.285 UNK_521.3107@24.36264 521.3107 24.363 UNK_521.311@22.419579 521.311 22.42 UNK_522.0754@0.7798583 522.0754 0.78 UNK_522.1744@22.880672 522.1744 22.881 UNK_522.2507@21.738628 522.2507 21.739 UNK_523.2866@22.60632 523.2866 22.606 UNK_523.2873@22.645853 523.2873 22.646 UNK_524.3339@19.575201 524.3339 19.575 UNK_524.3951@23.060251 524.3951 23.06 UNK_524.9949@0.84038955 524.9949 0.84 UNK_525.2861@22.093374 525.2861 22.093 UNK_525.2876@22.31016 525.2876 22.31 UNK_525.3446@22.616795 525.3446 22.617 UNK_526.1762@22.597174 526.1762 22.597 UNK_526.1872@22.744902 526.1872 22.745 UNK_526.3511@19.823057 526.3511 19.823 UNK_526.35@17.948956 526.35 17.949 UNK_527.3076@22.369137 527.3076 22.369 UNK_527.3084@22.356428 527.3084 22.356 UNK_527.3088@22.418467 527.3088 22.418 UNK_527.3213@21.908422 527.3213 21.908 UNK_527.3226@21.995863 527.3226 21.996 UNK_527.3268@22.415167 527.3268 22.415 UNK_527.3581@22.624138 527.3581 22.624 UNK_527.4548@23.447144 527.4548 23.447 UNK_528.0317@12.744959 528.0317 12.745 UNK_528.0825@0.7648012 528.0825 0.765 UNK_528.1892@22.86082 528.1892 22.861 UNK_528.2016@21.67399 528.2016 21.674 UNK_528.269@21.708715 528.269 21.709 UNK_529.1851@20.331463 529.1851 20.331 UNK_529.1947@0.69446206 529.1947 0.694 UNK_530.1566@22.685888 530.1566 22.686 UNK_530.1694@14.490303 530.1694 14.49 UNK_530.1837@0.694546 530.1837 0.695 UNK_530.2129@20.058619 530.2129 20.059 UNK_530.4284@22.63159 530.4284 22.632 UNK_531.2265@22.843237 531.2265 22.843 UNK_531.2778@24.577768 531.2778 24.578 UNK_531.2959@22.579851 531.2959 22.58 UNK_531.3137@22.249006 531.3137 22.249 UNK_531.3282@22.649317 531.3282 22.649 UNK_531.3288@22.641138 531.3288 22.641 UNK_532.0452@12.740182 532.0452 12.74 UNK_532.2018@22.86964 532.2018 22.87 UNK_532.3166@18.739851 532.3166 18.74 UNK_532.7383@22.417576 532.7383 22.418 UNK_533.3163@22.265762 533.3163 22.266 UNK_533.8712@0.6014172 533.8712 0.601 UNK_534.098@21.775434 534.098 21.775 UNK_534.1205@10.957587 534.1205 10.958 UNK_534.2192@22.831978 534.2192 22.832 UNK_534.2985@29.77447 534.2985 29.774 UNK_534.3898@22.654253 534.3898 22.654 UNK_534.4625@22.864006 534.4625 22.864 UNK_535.0143@0.9995021 535.0143 1 UNK_535.0624@11.594354 535.0624 11.594 UNK_535.2588@19.795609 535.2588 19.796 UNK_535.9534@2.910002 535.9534 2.91 UNK_536.4045@22.706673 536.4045 22.707 UNK_537.245@22.848228 537.245 22.848 UNK_537.2661@22.416288 537.2661 22.416 UNK_537.5123@24.305082 537.5123 24.305 UNK_538.0607@12.736628 538.0607 12.737 UNK_538.4181@23.079134 538.4181 23.079 UNK_538.4283@22.781412 538.4283 22.781 UNK_539.0671@3.1647644 539.0671 3.165 UNK_539.0723@11.593075 539.0723 11.593 UNK_539.1559@0.6961006 539.1559 0.696 UNK_539.282@22.433903 539.282 22.434 UNK_539.3219@21.708618 539.3219 21.709 UNK_539.3223@21.899555 539.3223 21.9 UNK_539.528@24.516733 539.528 24.517 UNK_540.1462@22.86237 540.1462 22.862 UNK_540.1883@22.66407 540.1883 22.664 UNK_540.225@21.766323 540.225 21.766 UNK_540.437@22.842695 540.437 22.843 UNK_541.0613@1.0505567 541.0613 1.051 UNK_541.0617@0.7141671 541.0617 0.714 UNK_541.3381@22.349163 541.3381 22.349 UNK_541.339@22.209843 541.339 22.21 UNK_541.9106@0.5589337 541.9106 0.559 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6029 URIDINE-5-MONOPHOSPHATE (CAS# 58-97-9); (M-H)- 324.037 0.873 6030 UROCANATE (CAS# 104-98-3); (M-H)- 138.0426 0.659 736715 URSODIOL (CAS# 128-13-2); (M+HCOO)- 392.2924 21.617 31401 URSODIOL (CAS# 128-13-2); (M-H)- 392.2934 21.709 31401 VALINE (CAS# 72-18-4); (M-H)- 117.0779 0.792 6287 XANTHINE (CAS# 69-89-6); (M-H)- 152.0334 1.312 1188 XANTHOSINE (CAS# 146-80-5); (M-H)- 284.0742 2.314 64959 XANTHOSINE 5'-PHOSPHATE (CAS# 523-98-8); (M-H)- 364.0424 1.176 73323 XYLOSE (CAS# 58-86-6); (M+HCOO)- 150.0528 0.67 135191 ZEATIN [ISTD] (CAS# 13114-27-7); (M+CL)- 219.1121 3.927 449093 ZEATIN [ISTD] (CAS# 13114-27-7); (M-H)- 219.1122 3.928 449093