metabolite_name M_control_2 M_control_3 M_control_4 M_isoprenaline_1 M_isoprenaline_2 M_isoprenaline_3 M_isoprenaline_4 Pyruvate 327119 320935 350590 369112 275171 377826 376071 3-Oxopropanoate 161512 209889 164068 148453 159726 164027 179911 Oxalate 245551 244069 248583 261240 256946 260181 243586 (S)-Lactate 57267512 58385644 55964868 52471548 54973900 52512676 53460876 Orthophosphate 3403732 3563689 3482247 3244663 3493557 3248017 3393784 2-oxobut-3-enanoate 0 0 0 0 0 0 0 Acetoacetate 118011 135954 107918 129205 149004 125310 114286 2-Oxobutanoate 1330464 1293669 1338961 1329795 1141161 1390007 1350714 3-Methylbutanoic acid 671915 736969 705415 786267 639393 748633 749591 Hydroxypyruvate 47278 52477 51565 54621 65989 48307 50119 (R)-3-Hydroxybutanoate 95615 99678 93997 89723 101459 91902 94809 2-hydroxymethanesulfonate 0 0 0 0 23486 0 0 Monomethyl sulfate 0 0 0 0 0 0 0 Uracil 12250 15608 18481 14127 34615 19869 21961 Orotate(Fragment) 0 0 0 0 43792 0 0 (S)-1-Pyrroline-5-carboxylate 8436 8711 9194 6867 14733 6756 7206 H2S2O3 10007 12429 11407 9735 13140 12852 13050 2-Hydroxy-2,4-pentadienoate 257658 270369 251487 273948 331455 291322 268416 5-Oxopentanoate 24759 17858 21927 44470 27363 25488 43755 3-Methyl-2-oxobutanoic acid 226572 221557 283432 291448 203362 302444 317592 4-Hydroxyhexan-3-one 301374 331322 285751 315098 328220 284414 342914 Hexanoic acid 549788 553711 538188 526203 520099 530917 532629 L-Aspartate 4-semialdehyde 0 15868 14682 0 23660 12759 15088 Acetylglycine 27079 18518 0 22157 41726 18941 0 Succinate 731599 646129 723882 672241 708173 648903 686994 5-Hydroxypentanoate 524660 450833 439890 502943 564171 412217 483157 D-Erythrose 1201725 1154595 1243302 1270938 1137542 1264283 1212005 L-Cysteine 426802 416824 421453 439209 400224 436101 449064 Benzoate 1523357 1658307 3315798 890589 900825 915098 1100450 Phosphonoacetaldehyde 0 0 0 0 0 0 0 Taurine 88502 176842 129407 116129 543539 97346 127194 Thymine 0 0 0 0 0 0 0 5-Oxoproline 12619493 13030039 13092975 12997544 37580276 14985480 14214332 2,5-Dioxopentanoate 0 15098 19337 25915 28965 0 12469 (S)-3-Methyl-2-oxopentanoic acid 63238 52345 109393 67245 102090 54725 108704 4-Methyl-2-oxopentanoate 7132894 6414997 7782169 8378297 6561833 8902361 8666063 FA methyl(6:0) 227769 230574 241047 212052 215964 239659 226408 L-Glutamate 5-semialdehyde 383838 335403 363296 351156 504734 416290 389067 Creatine 38785 27006 27974 17248 38163 42146 20711 Glutarate 84515 91198 93056 84524 95998 69877 102024 2-Acetolactate 507069 469490 507322 546791 539301 541237 540065 (S)-2-Acetolactate 0 0 0 0 9210 12408 11973 FA hydroxy(6:0) 77957 111402 68914 78232 65908 68925 95530 Ethyl (R)-3-hydroxybutanoate 116233 91497 102620 105974 124130 92004 130013 L-Aspartate 4799023 4671234 5069019 4975599 31474614 5212372 5077783 Iminodiacetate 12767 14314 14211 13889 69618 12436 8731 4-methylthiobutanaldoxime 60046 67579 51198 65774 179941 59483 72794 (S)-Malate 3444708 3411087 3329696 3541710 2979584 3245172 3412967 Dihydropteridine 14377 20483 16528 51166 79618 24014 26216 [FA trihydroxy(4:0)] 2,3,4-trihydroxy-butanoic acid 1477030 1415612 1456428 1469063 4913834 1418115 1597197 Sulfoacetate 179223 190143 220670 207519 199000 210399 196355 Ethanolamine phosphate 13899 15040 15762 17094 46963 9416 13592 FA (8:1) 53528 53533 54870 64119 53912 51910 42785 FA oxo(7:0) 209027 137870 178454 171333 222968 181407 154899 7-oxoheptanoate 82626 87438 84012 94835 85550 79469 83829 FA (8:0) octanoic acid 499402 553975 521159 559064 524648 578952 497375 2-Oxoglutaramate 0 0 0 0 27733 0 0 2-Oxoglutarate 317193 285208 282275 301124 335264 296856 291546 FA hydroxy(7:0) 52713 48926 54454 44122 40435 44864 39150 3-Hydroxyisoheptanoicacid 13935 18752 0 0 16310 19284 0 O-Acetyl-L-serine 73679 78313 86575 76529 225127 61227 87456 L-Glutamate 6683007 6559542 6691357 6473873 54952732 6743011 6647606 N-hydroxyisoleucine 0 0 0 0 19112 0 0 D-Xylonolactone 313020 277688 283598 259606 765052 261048 282573 (R)-2,3-Dihydroxy-3-methylpentanoate 53398 48475 56211 121748 40128 43402 52066 (S,S)-Tartaric acid 252652 241687 257152 252684 260688 242232 266193 D-Ribose 39858 18304 18123 35424 95796 19381 19595 L-Arabinose 344914 315991 336289 323359 327406 375494 361207 Dipropyl disulfide 0 0 0 0 41831 18180 14791 Phenylpropanoate 68927 70641 60736 57365 75960 60200 72565 Xanthine 430957 427702 514630 470033 1541637 447120 459176 3,4-Dihydroxyphenylacetaldehyde 0 0 0 0 8856 0 0 Xylitol 161934 190116 176239 172207 255376 177721 173492 3-Isopropylcatechol 0 0 0 0 0 0 0 3-sulfopropanoate 8291 16535 13231 13753 196342 12680 15239 Imidazol-5-yl-pyruvate 19191 0 13333 0 37385 11169 0 3-(Pyrazol-1-yl)-L-alanine 35768 35645 48678 41146 143421 44114 47933 L-Histidine 371769 362352 348282 548163 861299 519564 498557 4-Imidazolone-5-propanoate 0 0 0 0 0 0 0 [FA oxo(8:1)] 5-oxo-7-octenoic acid 12877 13286 18134 13769 25346 15331 18299 (S)(+)-Allantoin 110564 95293 101023 111618 355488 107949 102621 2-Isopropylmaleate 117467 119498 107490 133838 116092 48513 95305 Ethyl 3-oxohexanoate 136502 104568 137199 146142 134233 134232 128232 FA oxo(8:0) oxo-octanoic acid 81824 67242 81106 86099 81687 110765 82678 FA methyl(8:0) 816088 841419 782531 907874 794043 856707 835904 5-Acetamidopentanoate 103056 253103 155915 174828 186421 215793 192211 Dihydro-3-hydroxy-3-(1-hydroxyethyl)-4-methylfuran-2(3H)-one 59457 25784 26169 73529 46487 17779 23996 3-Methyladipicacid 36574 24789 50244 94869 45467 32707 70601 FA hydroxy(8:0) hydroxy-octanoic acid 163753 202818 201372 180387 230156 233575 166952 Ethyl (R)-3-hydroxyhexanoate 75357 68117 73247 63756 60113 76791 79726 O-Acetyl-L-homoserine 38991 35057 37012 59996 111668 64389 77320 L-Methionine S-oxide 107197 100983 114265 100139 135040 94830 83076 Phthalate 1140138 900905 1146198 1144073 2459097 1162230 919723 Terephthalate 719471 724819 735283 687152 1546177 686893 687316 4-Hydroxyphenylglyoxylate 1065975 938156 934958 999382 2085110 980068 961641 isophthalate 838255 893329 861919 941910 1115834 844728 918202 L-Lyxonate 134687 120551 122241 116691 361488 115802 107438 D-Xylonate 85400 89189 79602 79214 297681 77314 82244 L-Xylonate 44891 38671 58616 56458 263755 56238 51835 10-oxogeranial 0 0 0 0 8185 0 0 Phosphoenolpyruvate 0 0 0 0 5878 0 0 Urate 378302 433933 418271 435495 2481499 437858 416555 Phosphodimethylethanolamine 0 0 0 0 96866 0 0 (S)-2-O-Sulfolactate 35463 28498 33012 38470 38610 38647 29933 D-Glyceraldehyde 3-phosphate 6977 7035 6210 6888 42160 6024 6945 Furfural diethyl acetal 18172 0 18749 23130 20673 14861 16242 2,3,4,5-Tetrahydrodipicolinate 0 0 0 0 0 0 0 sn-Glycerol 3-phosphate 26148 24332 20340 27559 143453 25348 21248 2-Octenedioicacid 20696 20061 19162 20539 39796 20793 22536 cis-4-Octenedioicacid 72678 62425 110930 238026 97219 70467 89117 FA oxo(9:0) oxo-nonanoic acid 181542 251180 174111 173352 149799 293339 162044 9-Oxononanoic acid 109829 115669 144492 137453 145764 139460 116162 [FA oxo(9:0)] 2-oxo-nonanoic acid 155808 176991 170306 153182 161322 153237 182614 Decanoic acid 289305 373880 333326 314230 308575 306015 313701 Isovalerylalanine 76256 35201 52563 100369 156778 70902 82992 N-Acetyl-L-leucine 53764 25110 52563 26830 57004 27668 50286 Hexanoylglycine 59833 50169 75411 66832 90383 62945 69192 Phenol sulfate 100787 96604 94224 99558 117349 96946 95103 p-Phenolsulfonic acid 55769 62474 68711 60852 69856 56336 52283 cis-Aconitate 169451 161526 157238 161102 206028 171918 178597 (2S)-2-Isopropyl-3-oxosuccinate 0 0 0 0 16775 0 0 Dimethyl adipate 244514 224063 251836 237253 245153 185969 229634 Suberic acid 87441 94368 96968 129044 90807 105087 100025 [FA hydroxy(9:0)] 3-hydroxy-nonanoic acid 84737 63089 82445 79960 71753 98227 61782 [FA hydroxy(9:0)] 2-hydroxy-nonanoic acid 61885 53721 79031 53395 59337 60224 27597 FA hydroxy(9:0) hydroxy-nonanoic acid 63554 84448 298550 164618 237769 162563 77796 N-Acetyl-L-aspartate 540442 464176 511135 526089 4222770 530812 525630 N-Acetylindoxyl 213850 215375 217334 271351 392149 219691 234895 Ascorbate 0 0 0 0 0 0 0 N-Carbamoyl-L-aspartate 0 0 0 0 17485 0 0 4-oxo-4-(3-pyridyl)-butanoate 3213466 3233754 3296453 3235281 6403378 3278011 3323114 Hippurate 3775124 3583096 3951451 3432229 5348527 3521527 4002671 2,5,6-Trihydroxy-5,6-dihydroquinoline 112194 111213 111934 108613 163964 114754 114926 propiin 0 0 0 0 37782 0 0 D-Mannose 1343371 1273337 1346042 1328275 1183308 1324901 1290487 D-Glucose 6627944 6909834 6801503 6829905 6495960 6909936 6899349 D-Galactose 7204904 6671200 7339663 7185946 6863242 7537110 7304540 3-(4-Hydroxyphenyl)lactate 470487 476629 432545 438013 1139299 445207 460436 D-Sorbitol 3132040 3039258 3082223 2987038 4599231 3160309 3093876 [PR] Iridotrial 0 0 0 0 11584 0 0 Nalpha,Nalpha-Dimethyl-L-histidine 0 0 0 0 7812 0 0 3-Phospho-D-glycerate 0 0 0 0 7064 0 0 7,8-diketopelargonate 66115 58098 71058 111533 67104 70535 77791 FA oxo(10:0) 39566 38182 31480 40260 30434 25647 25443 [FA (11:0)] undecanoic acid 44691 102115 90421 54071 70751 52014 95694 8-Amino-7-oxononanoate 707178 808061 847281 846110 1020056 933917 859707 2-oxosuberate 0 0 0 0 29877 17494 0 Azelaic acid 62326 73538 90912 92862 88109 122971 75000 FA hydroxy(10:0) 18451 17065 39738 25826 25507 31189 20375 N-Acetyl-L-glutamate 306968 260499 317213 223110 503476 240860 262319 2 -(Butylamido)-4-hydroxybutanoic acid 0 0 0 0 22529 0 0 3-Dehydroquinate 129126 119562 128676 122335 361212 135073 136867 N-Carbamyl-L-glutamate 4521 4882 0 6059 15879 0 0 7-Ethoxycoumarin 231745 230868 242444 219510 214320 194006 208296 N5-acetyl-N5-hydroxy-L-ornithine 0 0 0 0 0 0 0 N-Acetylmethionine 0 0 0 0 0 0 0 Citrate 1422784 1342214 1404785 1658045 1624897 1561968 1809752 Quinate 7832 8818 0 8615 27535 9991 9471 Oxoamide 12567 17469 0 0 31285 0 15845 Thymyl acetate 0 0 0 0 0 0 0 γ-thiomethyl glutamate 0 0 0 0 0 0 0 Ferulate 243349 195579 205223 228503 241049 198423 214692 1-O-Methyl-myo-inositol 49967 85543 68730 63685 44860 63226 71506 Oxidized Latia luciferin 0 0 0 0 0 0 0 1-thio-β-D-glucose 73685 75947 66340 98592 108354 87090 109361 D-Gluconic acid 256371 259797 224697 258631 874683 273187 265528 Tauropine 0 0 0 0 0 0 0 gamma-Glutamyl-beta-aminopropiononitrile 0 0 0 0 15439 0 0 D-Erythrose 4-phosphate 0 0 0 0 0 0 0 Dodecanoic acid 4090828 6861112 4896232 4339991 3638884 5227488 3905742 S-Sulfo-L-cysteine 93148 90750 90042 93959 506524 95483 88313 Diethyl 2-methyl-3-oxosuccinate 0 0 0 0 20664 0 0 [FA (10:0/2:0)] Decanedioic acid 36278 37721 35065 27794 37313 34292 40066 N2-Acetyl-L-aminoadipate 0 0 0 0 0 0 0 O-Acetylcarnitine 0 0 0 0 0 0 0 L-beta-aspartyl-L-alanine 0 0 0 0 15447 0 0 4-Heptyloxyphenol 0 0 0 0 18872 0 0 D-Glucarate 0 0 0 0 7945 0 0 5-Hydroxyferulate 0 0 0 0 0 0 0 Vanilpyruvicacid 0 13959 0 0 15679 0 0 FA (13:2) tridecadienoic acid 0 0 0 0 0 0 0 FA oxo(12:1) 28079 40760 62623 32389 41806 52186 28825 (S)-ACPA 0 0 0 0 0 0 0 FA methyl(12:0) dodecanoic acid 97658 360199 138993 156655 128936 141882 108671 sn-glycero-3-Phosphoethanolamine 27962 20923 25691 21271 88513 29337 29041 2-C-Methyl-D-erythritol 4-phosphate 44509892 43816116 45585440 45621580 83334408 45256748 45943844 cis-(homo)3aconitate 59388 47203 57009 68793 123302 71795 55882 Ile-Ser 0 0 0 0 0 0 0 4-Amino-2-methyl-5-phosphomethylpyrimidine 788930 671855 803583 762293 1829390 748145 764369 N-Acetyl-D-mannosaminolactone 0 0 0 0 75076 0 0 5-Hydroxytryptophan 37942 47419 28766 40387 78200 31161 44092 S-(3-oxo-3-carboxy-n-propyl)cysteine 0 0 0 0 0 0 0 L-Histidinol phosphate 1132138 1128892 1152324 1177146 2152624 1134557 1175276 Dillapiole 137328 125036 128078 143122 124053 191115 132816 Apiole 262355 292545 266641 263034 293716 313692 280249 Dehydrovomifoliol 0 0 0 0 0 0 0 carbidopa 0 0 0 0 0 0 0 1,8-Diazacyclotetradecane-2,9-dione 29818562 29803066 29662586 31610734 37660992 29757934 31241890 [FA hydroxy(11:2/11:2)] 2R,9R-dihydroxy-3S,4S,7S,8S-diepoxy-5E,10-undecadien-1-ol 0 0 0 0 8932 0 0 Traumatic acid 18781 0 25967 42738 45925 30909 16898 Tetradecanoic acid 3365832 7335261 4218770 3976857 3416685 4171963 3449184 D-Ribose 5-phosphate 8646 7471 8753 0 28477 7529 0 Ile-Thr 0 0 0 0 9212 0 0 L-beta-aspartyl-L-threonine 0 0 0 5348 22293 6183 0 Bakkenolide A 123242 133148 161470 158679 154238 158364 152631 3-Dimethylallyl-4-hydroxymandelic acid 0 0 0 0 0 0 0 Latia luciferin 0 0 29210.41406 0 37505.99219 20756.45117 0 FA oxo(14:1) cyclopentanebutanoic acid 0 0 0 0 0 0 0 Trimetaphosphate 868193.1875 900862.0625 963973.6875 768248.875 836631.6875 861316.3125 889869.5 2-isocapryloyl-3R-hydroxymethyl-γ-butyrolactone 20624.12109 16303.68555 20362.0957 18757.69922 33478.96484 23706.86914 17649.12891 FA methyl(14:0) 721763.625 2595448.75 1023583.375 1213266.5 755509.5625 1047211.75 922515.8125 L-Fucose 1-phosphate 0 0 0 0 0 0 0 Pseudouridine 221967.7813 228711.3125 212790.2344 254865.4531 691533.375 224454.3906 238012.75 FA methyl(14:0) dodecanedioic acid 0 66525.21094 82693.67188 27441.66016 68941.14063 0 43199.90234 dihydrocamalexate 0 0 0 0 0 0 0 Glycerophosphoglycerol 0 0 0 0 35787.50781 0 0 5-6-Dihydrouridine 0 0 0 0 106163.0703 0 0 L-beta-aspartyl-L-leucine 0 0 0 0 17319.53906 0 0 Xanthoxin 0 39608.15625 0 0 25373.54688 39231.84375 0 FA (16:3) 0 0 0 0 0 0 0 ubiquinol-1 0 0 0 0 0 0 0 N-Acetylvanilalanine 0 0 0 0 0 0 0 5-L-Glutamyl-taurine 0 0 0 0 0 0 0 FA(16:1) 469525.8438 3519742 404730.4063 477166.2813 341146.7813 487337.4375 353016.4375 Hexadecanoic acid 54027828 95023192 68405312 60583704 51485344 71538280 56708140 Ribothymidine 0 0 0 0 0 0 0 glycerophosphoserine 0 0 0 0 15691.47852 0 0 D-Glucose 6-phosphate 7243.935547 8815.086914 8944.267578 10145.19531 15519.72363 7208.718262 10259.4043 L-gamma-glutamyl-L-isoleucine 23391.66406 24553.19141 20364.25586 19257.61523 74453.41406 40236.95703 20415.23633 Lys-Asn 0 0 0 0 0 0 0 sodium dodecyl sulfate 5610322 5420569.5 11450788 9396424 4344760.5 7830037 3940670.75 2(alpha-D-Mannosyl)-D-glycerate 0 0 6564.929199 0 38226.75391 0 0 FA methyl(16:1) 143856.3906 819506.875 150043.5313 135816 101690.7031 157107.3906 99844.66406 FA oxo(16:0) 149169.0625 209326.5781 146223.0469 154339.4375 135038.25 164926.5781 132384.8594 FA (17:0) 1723199 3670877.75 2293955.25 1886361.5 1628986.75 2176246 1817075 FA hydroxy(16:0)] hexadecanoic acid 58318.61719 167172.3594 66106.17969 67939.35156 68186.71094 95354.60938 108665.0859 1-O-(4-hydroxy-2-methylene-butanoyl)-beta-D-glucopyranose 0 0 0 0 0 0 0 2-Ethylhexyl phthalate 576815.3125 568976.0625 585580.5625 561750.625 673868.75 602228.875 483127.9063 [6]-Paradol 0 0 32315.78906 0 31310.89648 0 0 [FA (18:3)] 9Z,12Z,15Z-octadecatrienoic acid 660611.8125 1213272.25 852862.1875 747204.375 551189.125 853493.75 747017.3125 8-Oxocoformycin 83680.99219 82352.24219 55302.47266 70953.78906 129937.3984 66432.97656 61289.53516 [FA (18:1)] 9Z-octadecenoic acid 5718671.5 12228960 6859957.5 6287243.5 5050270 7348836 5565245.5 Octadecanoic acid 73911416 129288792 92059920 79194800 70271256 97186752 75884272 Orotidine 0 0 0 0 0 0 0 Ile-Ala-Ser 121873.7266 133813.125 129106.375 129796.9922 379575.4688 135670.8438 144217.3281 D-Sedoheptulose 7-phosphate 0 0 0 0 0 0 0 2,7-Anhydro-alpha-N-acetylneuraminic acid 0 0 0 0 20182.48242 0 0 Trichodermin 0 0 0 0 0 0 0 12-OPDA 70733.30469 60540.25391 97634.375 78418.51563 90282.74219 55250.11328 94972.69531 Phytuberin 522507.7813 1230951.375 595139.625 634138.8125 681993.25 705566.4375 578624.125 Aminoimidazole ribotide 0 0 0 0 0 0 0 dehypoxanthine futalosine 0 0 0 0 0 0 0 FA oxo(18:0) 270248.125 482599.7188 314157.8125 310157.9688 288251.5 335105.9688 266733.4375 FA methyl(18:0) 246606.5156 450081.7188 327368.7188 276340.125 246871.2188 372853.5625 263854.2188 Cinnavalininate 0 0 0 0 0 0 0 [PR] Tretinoin/All-Trans Retinoic Acid 32372.42969 71327.375 137480.5781 72406.34375 51129.67969 66758.34375 71377.94531 FA hydroxy(18:0) 140190.125 142292.2969 145075 128743.1328 1969042.625 137938.3281 107250.3984 PIPES 506101.3438 502387.3438 503644.3438 446368.75 1493527 491914.2813 489477.8438 Retinyl ester 0 0 76399.85156 38917.30078 37117.21484 0 20685.77344 N-Acetyl-aspartyl-glutamate 6349.644043 8018.791992 8369.845703 7922.792969 69084.29688 7351.521484 13633.59277 FA (20:4) 0 0 0 0 0 0 0 2',3'-Cyclic CMP 0 0 0 0 0 0 0 Inulicin 0 0 0 0 0 0 0 FA methyl(18:2) 252961.5156 507848.9375 307523.9688 389114.0625 245508.5 385381.6875 310046.25 N-Acetylneuraminate 56456.98438 64444.39063 60330.96484 68024.58594 182097.5469 60909.88281 52219.58594 FA (20:0) 1496504.75 2464920.75 1762878.5 1492408.5 1434362.75 1998869 1555040 Ala-Asn-Asn 46402.14453 49099.51563 53709.51172 75197.33594 116087.1172 50788.07422 58712.12891 Met-Ala-Pro 144847.7188 155336.1563 176769.4375 164371.4688 288108.8438 161803.9531 162655.0625 octulose 8-phosphate 0 0 0 0 0 0 0 beta-Citryl-L-glutamic acid 20532.57813 19075.63281 20380.66406 16485.02148 27742.08594 19659.82422 17800.88477 gamma-L-Glutamyl-L-cysteinyl-beta-alanine 0 0 0 0 0 0 0 [FA trihydroxy(2:0)] 9S,11R,15S-trihydroxy-2,3-dinor-5Z,13E-prostadienoic acid-cyclo[8S,12R] 0 55824.92578 0 0 9728.665039 0 0 Carnosol 0 0 0 0 0 0 0 Ala-Ala-Asn-Gly 334854.7813 308929.2813 333136.125 380056.8125 587723.1875 414386 352838.4375 sn-glycero-3-Phospho-1-inositol 20407.62891 18398.06641 18698.22656 14725.59961 17822.13086 14927.25684 16671.19922 Psoralidin 0 0 0 0 0 0 0 11-dehydro-2,3-dinor-TXB2 0 0 0 0 0 0 0 Docosanoic acid 245073.2188 618591.6875 304960.6875 301479.4688 234914.8125 366843.5313 271910.875 S-(Formylmethyl)glutathione 0 0 0 0 0 0 0 15-Keto-prostaglandinE2 0 0 0 0 0 0 0 13,14-Dihydro-15-oxo-lipoxin A4 0 0 0 0 0 0 0 [FA trihydroxy(20:4)] 5S,12R,20-trihydroxy-6Z,8E,10E,14Z-eicosatetraenoic acid 0 0 0 0 0 0 0 Phenolsulfonphthalein 46385440 46450952 48422032 44502216 57771680 46281912 47565188 2-Hydroxy-1,3-dimethoxy-8,9-methylenedioxycoumestan 1501837.75 1567694.5 1807560.5 1492435.875 2019211.875 1552377.125 1605170.75 5,3'-Dihydroxy-4',5'-dimethoxy-6,7-methylenedioxyisoflavone 0 0 0 0 0 0 0 Miraxanthin-I 273013.5938 309825.6875 322862 282113.5625 0 363980.6875 304350.5 Glu-Met-Ser 0 0 0 0 0 0 0 9S,15S-dihydroxy-11-oxo-15-methyl-5Z,13E-prostadienoic acid 0 0 0 0 0 0 0 Prostaglandin G2 0 0 0 0 0 0 0 Tetracosanoic acid 72461.02344 297691.7813 128143.1797 125541.7734 90006.0625 163921.0625 85679.61719 Ile-Cys-His 120062.2891 140130.2344 110588.2656 138201.2344 133223.2813 104679.2734 117810.2422 (R)-S-Lactoylglutathione 0 0 0 0 0 0 0 [SP] Sphing-4-enine-1-phosphate 0 0 0 0 0 0 0 Met-Val-His 930218.125 997108 1081465.875 1011703.25 1587042 970021.625 1620772.875 glutathione-sulfite 0 0 0 0 0 0 0 Asp-Phe-Gly-Gly 321962.5 337006.5938 350320.125 336493.7813 103529.2891 354235.0625 392361.9688 methyl 8-[3,5-epidioxy-2-(3-hydroperoxy-1-pentenyl)-cyclopentyl]-octanoate 37948.26563 0 49181.36719 117452.8438 114606.5859 119687.2813 78409.92188 CDP 0 0 0 0 0 0 0 UDP 0 0 0 0 0 0 0 Nigakihemiacetal A 0 0 0 0 0 0 0 dADP 0 0 0 0 0 0 0 Magnoshinin 1026973.25 927053.5 1073226.75 1279738.75 789489.3125 714139.125 828472.9375 ADP 0 0 0 0 0 0 0 N-(1,3-dihydroxypropan-2-yl)-9S,11R,15S-trihydroxy-5Z,13E-prostadienoyl amine 14136.6377 0 50057.41016 14804.90527 50118.13281 0 0 CMP-2-aminoethylphosphonate 0 0 0 0 0 0 0 [PE(16:1)] 1-(1Z-hexadecenyl)-sn-glycero-3-phosphoethanolamine 0 0 0 0 0 0 0 [PR trihydroxy(2:0)] (-)-8alpha,15-diacetoxy-4beta,9alpha,14beta-trihydroxy-3(16)-fusicoccene 0 0 0 0 0 0 0 CDP-ethanolamine 0 0 0 0 0 0 0 Glycochenodeoxycholate 80241.39063 76577.94531 72149.83594 69076.08594 112977.6484 70686.00781 85948.97656 LysoPE(16:1) 0 0 0 0 0 0 0 9S,15S-dihydroxy-11R,18-diacetoxy-5Z,13E-prostadienoic acid 0 0 0 0 0 0 0 Asp-Cys-Cys-Gln 0 0 0 0 0 0 0 Arg-Asp-Cys-Ser 117026.9609 115881.3672 136939.9375 113241.2188 191451.1875 93485.61719 127737.0391 LysoPE(18:1) 0 0 0 0 0 0 0 dTTP 0 0 0 0 0 0 0 UTP 0 0 0 0 0 0 0 dATP 0 0 0 0 0 0 0 PA(22:1(11Z)/0:0) 0 0 0 0 83410.53125 0 0 Asp-Thr-Cys-Tyr 370992.4375 344138.1875 535372.0625 383117 427187.6563 305645.9688 331526.3125 LysoPE(20:4) 0 0 0 0 0 0 0 ATP 0 0 0 0 0 0 0 Arg-Lys-Thr-Asp 169852.5781 151916.8281 159186.9688 120644.8438 169651.7344 176115.7813 158673.4219 Gln-Leu-Lys-Tyr 20848.77344 25337.87109 23033.13086 26002.0918 987809.625 25002.00195 26017.7168 Glu-Lys-Lys-Phe 256270.2813 254004.2969 232019.125 230267.7969 960799.9375 220807.1719 226606.7656 UDP-glucose 0 0 0 0 0 0 0 Arg-Thr-Gln-Tyr 0 0 0 0 0 0 0 GDP-4-dehydro-3,6-dideoxymannose 0 0 0 0 4640.515137 0 0 GDP-3,6-dideoxy-D-galactose 0 0 0 0 0 0 0 stigmast-5-en-3beta-ol 3-0-beta-D-glucopyranoside 96948.33594 155548.7188 109284.9297 113043.3672 93612.53125 117294.0391 127863.4063 UDP-glucuronate 0 0 0 0 0 0 0 His-Met-Phe-Phe 0 0 0 22524.33008 73544.63281 0 0 GDP-L-fucose 0 0 0 0 0 0 0 2-sinapoyloxy-3-butenylglucosinolate 0 0 0 0 0 0 0 UDP-N-acetyl-D-galactosamine 0 0 0 0 0 0 0 CMP-N-acetylneuraminate 0 0 0 0 0 0 0 NADH 0 0 0 0 0 0 0 PG(32:1) 0 0 0 0 123625.4922 0 0 NADP+ 0 0 0 0 0 0 0 NADPH 0 0 0 0 0 0 0 PS(34:1) 0 0 0 0 0 0 0 PS(36:1) 0 0 0 0 39040.08984 0 0 metabolite_name retention time Mass KEGGid Lmid InchiKEY HMDBID Pyruvate 8.390488942 88.01603346 C00022 LMFA01060077 LCTONWCANYUPML-UHFFFAOYSA-N HMDB00243 3-Oxopropanoate 9.753412543 88.01604687 C00222 0 OAKURXIZZOAYBC-UHFFFAOYSA-N HMDB11111 Oxalate 18.31260235 89.99538578 C00209 LMFA01170031 MUBZPKHOEPUJKR-UHFFFAOYSA-N HMDB02329 (S)-Lactate 9.749640988 90.03172309 C00186 0 JVTAAEKCZFNVCJ-REOHCLBHSA-N HMDB00190 Orthophosphate 14.15295261 97.97704563 C00009 0 NBIIXXVUZAFLBC-UHFFFAOYSA-N HMDB02142 2-oxobut-3-enanoate 7.375166575 100.0160652 0 0 DGUBLKUCHAAUFT-UHFFFAOYSA-M 0 Acetoacetate 13.45212676 102.0316717 C00164 LMFA01060003 WDJHALXBUFZDSR-UHFFFAOYSA-N HMDB00060 2-Oxobutanoate 14.6384167 102.0316719 C00109 LMFA01060002 TYEYBOSBBBHJIV-UHFFFAOYSA-N HMDB00005 3-Methylbutanoic acid 7.234593631 102.0680682 C08262 LMFA01020181 GWYFCOCPABKNJV-UHFFFAOYSA-N HMDB00718 Hydroxypyruvate 15.97437572 104.010983 C00168 0 HHDDCCUIIUWNGJ-UHFFFAOYSA-N HMDB01352 (R)-3-Hydroxybutanoate 8.093431952 104.0473237 C01089 LMFA01050243 WHBMMWSBFZVSSR-GSVOUGTGSA-N HMDB00011 2-hydroxymethanesulfonate 8.888106486 111.9828979 0 0 DETXZQGDWUJKMO-UHFFFAOYSA-N 0 Monomethyl sulfate 14.10591253 111.9829508 C02704 0 JZMJDSHXVKJFKW-UHFFFAOYSA-N 0 Uracil 7.998365233 112.0272088 C00106 0 ISAKRJDGNUQOIC-UHFFFAOYSA-N HMDB00300 Orotate(Fragment) 9.637961155 112.0272954 C00295 0 PXQPEWDEAKTCGB-UHFFFAOYSA-N HMDB00226 (S)-1-Pyrroline-5-carboxylate 15.44322501 113.0477354 C03912 0 DWAKNKKXGALPNW-BYPYZUCNSA-N HMDB01301 H2S2O3 21.76643567 113.9446282 C05529 0 DHCDFWKWKRSZHF-UHFFFAOYSA-N 0 2-Hydroxy-2,4-pentadienoate 13.35481286 114.0317296 C00596 0 VHTQQDXPNUTMNB-ONEGZZNKSA-N 0 5-Oxopentanoate 8.019637162 116.0472992 C03273 LMFA01060161 VBKPPDYGFUZOAJ-UHFFFAOYSA-N HMDB12233 3-Methyl-2-oxobutanoic acid 7.212044858 116.0473096 C00141 LMFA01020274 QHKABHOOEWYVLI-UHFFFAOYSA-N HMDB00019 4-Hydroxyhexan-3-one 7.11382818 116.0837334 C02948 LMFA12000029 SKCYVGUCBRYGTE-UHFFFAOYSA-N 0 Hexanoic acid 4.55762693 116.0837356 C01585 LMFA01010006 FUZZWVXGSFPDMH-UHFFFAOYSA-N HMDB00535 L-Aspartate 4-semialdehyde 10.82254161 117.0425758 C00441 0 HOSWPDPVFBCLSY-VKHMYHEASA-N HMDB12249 Acetylglycine 9.76271342 117.0426035 0 0 OKJIRPAQVSHGFK-UHFFFAOYSA-N HMDB00532 Succinate 15.29570516 118.0266678 C00042 LMFA01170043 KDYFGRWQOYBRFD-UHFFFAOYSA-N HMDB00254 5-Hydroxypentanoate 7.252402516 118.063009 C02804 LMFA01050010 PHOJOSOUIAQEDH-UHFFFAOYSA-N 0 D-Erythrose 14.47613095 120.0422233 C01796 0 FMAORJIQYMIRHF-HERZVMAMSA-N HMDB02649 L-Cysteine 16.2740515 121.0196985 C00097 0 XUJNEKJLAYXESH-REOHCLBHSA-N HMDB00574 Benzoate 7.248876875 122.0367763 C00180 0 WPYMKLBDIGXBTP-UHFFFAOYSA-N HMDB01870 Phosphonoacetaldehyde 14.48801676 123.9924957 C03167 0 YEMKIGUKNDOZEG-UHFFFAOYSA-N 0 Taurine 15.23853633 125.0146371 C00245 0 XOAAWQZATWQOTB-UHFFFAOYSA-N HMDB00251 Thymine 7.378987503 126.0429416 C00178 0 RWQNBRDOKXIBIV-UHFFFAOYSA-N HMDB00262 5-Oxoproline 10.22510752 129.0426154 C01879 0 ODHCTXKNWHHXJC-VKHMYHEASA-N HMDB00267 2,5-Dioxopentanoate 12.22124502 130.0266864 C00433 0 VHKNBDIQDAXGBL-UHFFFAOYSA-N 0 (S)-3-Methyl-2-oxopentanoic acid 7.265411533 130.0630114 C00671 LMFA01020275 JVQYSWDUAOAHFM-BYPYZUCNSA-N HMDB00491 4-Methyl-2-oxopentanoate 4.586428246 130.063022 C00233 0 BKAJNAXTPSGJCU-UHFFFAOYSA-N HMDB00695 FA methyl(6:0) 4.328764069 130.0994037 0 LMFA01020080 CVKMFSAVYPAZTQ-UHFFFAOYSA-N 0 L-Glutamate 5-semialdehyde 14.58126255 131.0581784 C01165 0 KABXUUFDPUOJMW-BYPYZUCNSA-N HMDB02104 Creatine 14.27068609 131.0693041 C00300 0 CVSVTCORWBXHQV-UHFFFAOYSA-N HMDB00064 Glutarate 13.45459736 132.0422572 C00489 LMFA01170046 JFCQEDHGNNZCLN-UHFFFAOYSA-N HMDB00661 2-Acetolactate 14.77308584 132.0423005 C00900 0 NMDWGEGFJUBKLB-UHFFFAOYSA-N HMDB06833 (S)-2-Acetolactate 7.411271377 132.0423828 C06010 0 NMDWGEGFJUBKLB-YFKPBYRVSA-N HMDB06855 FA hydroxy(6:0) 7.139879471 132.0785782 0 LMFA01050011 NYHNVHGFPZAZGA-UHFFFAOYSA-N HMDB01624 Ethyl (R)-3-hydroxybutanoate 4.609618045 132.0786129 C03499 0 OMSUIQOIVADKIM-RXMQYKEDSA-N 0 L-Aspartate 14.95557947 133.0375262 C00049 0 CKLJMWTZIZZHCS-REOHCLBHSA-N HMDB00191 Iminodiacetate 16.96726911 133.037581 0 0 NBZBKCUXIYYUSX-UHFFFAOYSA-N HMDB11753 4-methylthiobutanaldoxime 10.24463649 133.0560419 C17241 0 DNYWTMVKWUGHCB-GQCTYLIASA-N 0 (S)-Malate 16.28078347 134.0215902 C00149 0 BJEPYKJPYRNKOW-REOHCLBHSA-N HMDB00156 Dihydropteridine 10.27595307 134.059065 C05649 0 KVDQMARGGBLIJM-UHFFFAOYSA-N HMDB01441 [FA trihydroxy(4:0)] 2,3,4-trihydroxy-butanoic acid 12.72522567 136.0372064 C01620 LMFA01050097 JPIJQSOTBSSVTP-UHFFFAOYSA-N HMDB00943 Sulfoacetate 18.60464071 139.9779944 C14179 0 AGGIJOLULBJGTQ-UHFFFAOYSA-N 0 Ethanolamine phosphate 15.5234547 141.0191652 C00346 0 SUHOOTKUPISOBE-UHFFFAOYSA-N HMDB00224 FA (8:1) 4.267660268 142.0993701 0 LMFA01030018 CWMPPVPFLSZGCY-SREVYHEPSA-N HMDB00392 FA oxo(7:0) 7.247674326 144.078618 0 LMFA01060011 IDDYNNYMUPHFMO-UHFFFAOYSA-N 0 7-oxoheptanoate 4.619253931 144.0786498 C16590 0 OOFMTFUTWFAVGC-UHFFFAOYSA-N 0 FA (8:0) octanoic acid 4.084111551 144.1150008 C06423 LMFA01010008 WWZKQHOCKIZLMA-UHFFFAOYSA-N HMDB00482 2-Oxoglutaramate 8.676133219 145.037489 C00940 0 COJBGNAUUSNXHX-UHFFFAOYSA-N HMDB01552 2-Oxoglutarate 15.93410652 146.0215561 C00026 0 KPGXRSRHYNQIFN-UHFFFAOYSA-N HMDB00208 FA hydroxy(7:0) 4.452989745 146.0942657 0 LMFA01050016 RGMMREBHCYXQMA-UHFFFAOYSA-N 0 3-Hydroxyisoheptanoicacid 7.377441661 146.0942889 0 LMFA01050395 SCAWECGFPWPHAR-UHFFFAOYSA-N HMDB02207 O-Acetyl-L-serine 10.71397213 147.0531275 C00979 0 VZXPDPZARILFQX-BYPYZUCNSA-N HMDB03011 L-Glutamate 14.61617056 147.0531526 C00025 0 WHUUTDBJXJRKMK-VKHMYHEASA-N HMDB00148 N-hydroxyisoleucine 8.468976644 147.0894942 0 0 YEGAKLYOVHUQIJ-UHFFFAOYSA-M 0 D-Xylonolactone 15.37737568 148.0372369 C02266 0 XXBSUZSONOQQGK-FLRLBIABSA-N HMDB11676 (R)-2,3-Dihydroxy-3-methylpentanoate 7.37702175 148.0736947 C06007 0 PDGXJDXVGMHUIR-UJURSFKZSA-N HMDB12140 (S,S)-Tartaric acid 18.07639739 150.0164747 C02107 0 FEWJPZIEWOKRBE-LWMBPPNESA-N 0 D-Ribose 12.13273748 150.0528393 C00121 0 HMFHBZSHGGEWLO-SOOFDHNKSA-N HMDB00283 L-Arabinose 14.57143594 150.0529678 C00259 0 SRBFZHDQGSBBOR-HWQSCIPKSA-N HMDB00646 Dipropyl disulfide 8.216778564 150.053966 C08373 0 ALVPFGSHPUPROW-UHFFFAOYSA-N 0 Phenylpropanoate 4.562405161 150.0680524 C05629 0 XMIIGOLPHOKFCH-UHFFFAOYSA-N HMDB00764 Xanthine 11.3785347 152.0333782 C00385 0 LRFVTYWOQMYALW-UHFFFAOYSA-N HMDB00292 3,4-Dihydroxyphenylacetaldehyde 7.406810099 152.0472906 C04043 0 IADQVXRMSNIUEL-UHFFFAOYSA-N HMDB03791 Xylitol 12.73397361 152.068461 C00379 0 HEBKCHPVOIAQTA-SCDXWVJYSA-N HMDB02917 3-Isopropylcatechol 4.031033325 152.0836058 C01014 0 XLZHGKDRKSKCAU-UHFFFAOYSA-N 0 3-sulfopropanoate 16.92629488 153.9936837 0 0 0 0 Imidazol-5-yl-pyruvate 11.73879801 154.0378237 C03277 0 JEJNWEREQWMOHB-UHFFFAOYSA-N 0 3-(Pyrazol-1-yl)-L-alanine 12.16815149 155.069535 C01162 0 PIGOPELHGLPKLL-YFKPBYRVSA-N 0 L-Histidine 17.08692322 155.0695612 C00135 0 HNDVDQJCIGZPNO-YFKPBYRVSA-N HMDB00177 4-Imidazolone-5-propanoate 8.360762533 156.0534698 C03680 0 HEXMLHKQVUFYME-UHFFFAOYSA-N HMDB01014 [FA oxo(8:1)] 5-oxo-7-octenoic acid 4.398270534 156.0786353 0 LMFA01060165 HWLHBDCASWFKNP-UHFFFAOYSA-N 0 (S)(+)-Allantoin 14.11899719 158.04388 C02350 0 POJWUDADGALRAB-SFOWXEAESA-N 0 2-Isopropylmaleate 7.27317947 158.0579866 C02631 0 NJMGRJLQRLFQQX-HYXAFXHYSA-N HMDB12241 Ethyl 3-oxohexanoate 7.185007653 158.0942444 C02975 0 KQWWVLVLVYYYDT-UHFFFAOYSA-N 0 FA oxo(8:0) oxo-octanoic acid 4.590156438 158.0942611 0 LMFA01060016 GPPUPQFYDYLTIY-UHFFFAOYSA-N HMDB13211 FA methyl(8:0) 3.916244879 158.1306088 0 LMFA01020002 GPOPHQSTNHUENT-UHFFFAOYSA-N 0 5-Acetamidopentanoate 7.251263852 159.0894776 C03087 0 TZZSWAXSIGWXOS-UHFFFAOYSA-N HMDB12175 Dihydro-3-hydroxy-3-(1-hydroxyethyl)-4-methylfuran-2(3H)-one 4.599894949 160.073718 0 LMFA07040007 AAMXRZJYSRMQQF-UHFFFAOYSA-N 0 3-Methyladipicacid 7.268435865 160.0737322 0 LMFA01170095 SYEOWUNSTUDKGM-YFKPBYRVSA-L HMDB00555 FA hydroxy(8:0) hydroxy-octanoic acid 7.242947427 160.1098797 0 LMFA01050020 JKRDADVRIYVCCY-UHFFFAOYSA-N HMDB00711 Ethyl (R)-3-hydroxyhexanoate 4.614402654 160.1099146 C03864 0 LYRIITRHDCNUHV-SSDOTTSWSA-N 0 O-Acetyl-L-homoserine 9.454719191 161.0687995 C01077 0 FCXZBWSIAGGPCB-YFKPBYRVSA-N 0 L-Methionine S-oxide 13.22425969 165.0459843 C02989 0 QEFRNWWLZKMPFJ-YGVKFDHGSA-N HMDB02005 Phthalate 14.41793471 166.0265394 C01606 0 XNGIFLGASWRNHJ-UHFFFAOYSA-N HMDB02107 Terephthalate 12.61099869 166.0265513 C06337 0 KKEYFWRCBNTPAC-UHFFFAOYSA-N HMDB02428 4-Hydroxyphenylglyoxylate 15.46375138 166.0266065 C03590 0 KXFJZKUFXHWWAJ-UHFFFAOYSA-N 0 isophthalate 16.6402717 166.0266265 0 0 QQVIHTHCMHWDBS-UHFFFAOYSA-N 0 L-Lyxonate 13.03638204 166.0476014 C05412 0 QXKAIJAYHKCRRA-UHFFFAOYSA-N 0 D-Xylonate 13.49225127 166.047629 C00502 0 QXKAIJAYHKCRRA-RUVKFHFMSA-M 0 L-Xylonate 14.0059654 166.0476878 C05411 0 QXKAIJAYHKCRRA-NUNKFHFFSA-M 0 10-oxogeranial 4.178586629 166.0992626 C17622 0 GRHWFPUCRVCMRY-TXFIJWAUSA-N 0 Phosphoenolpyruvate 17.8725 167.982433 C00074 0 DTBNBXWJWCWCIK-UHFFFAOYSA-N HMDB00263 Urate 12.87834998 168.0282375 C00366 0 LEHOTFFKMJEONL-UHFFFAOYSA-N HMDB00289 Phosphodimethylethanolamine 14.45566345 169.0502952 C13482 0 BLHVJAAEHMLMOI-UHFFFAOYSA-N 0 (S)-2-O-Sulfolactate 18.23173093 169.9886016 C02914 0 CSRZVBCXQYEYKY-REOHCLBHSA-N 0 D-Glyceraldehyde 3-phosphate 16.15882716 169.9980037 C00118 0 LXJXRIRHZLFYRP-VKHMYHEASA-N HMDB01112 Furfural diethyl acetal 4.389184719 170.0942856 C14280 0 SEILDMUKBMYIEZ-UHFFFAOYSA-N 0 2,3,4,5-Tetrahydrodipicolinate 14.27040405 171.0531991 C03972 0 CXMBCXQHOXUCEO-BYPYZUCNSA-N HMDB12289 sn-Glycerol 3-phosphate 14.80826408 172.0136642 C00093 0 AWUCVROLDVIAJX-GSVOUGTGSA-N HMDB00126 2-Octenedioicacid 10.908205 172.0735818 0 LMFA01170085 BNTPVRGYUHJFHN-HWKANZROSA-N HMDB00341 cis-4-Octenedioicacid 7.150203842 172.0736905 0 LMFA01170078 LQVYKEXVMZXOAH-UPHRSURJSA-N HMDB04982 FA oxo(9:0) oxo-nonanoic acid 3.651302572 172.1099123 0 LMFA01060022 SHDOPXQMNJDYDK-UHFFFAOYSA-N 0 9-Oxononanoic acid 4.424002506 172.1099313 C16322 LMFA01060160 WLGDDELKYAWBBL-UHFFFAOYSA-N 0 [FA oxo(9:0)] 2-oxo-nonanoic acid 7.125670448 172.1099378 0 LMFA01060022 SHDOPXQMNJDYDK-UHFFFAOYSA-N 0 Decanoic acid 3.839439725 172.1462811 C01571 LMFA01010010 GHVNFZFCNZKVNT-UHFFFAOYSA-N HMDB00511 Isovalerylalanine 7.34405768 173.1051751 0 0 OJPSNARFDYTAEN-LURJTMIESA-N HMDB00747 N-Acetyl-L-leucine 7.86462058 173.1051828 C02710 0 WXNXCEHXYPACJF-ZETCQYMHSA-N HMDB11756 Hexanoylglycine 4.618041092 173.1052598 0 0 UPCKIPHSXMXJOX-UHFFFAOYSA-N HMDB00701 Phenol sulfate 4.974424998 173.9986323 C02180 0 CTYRPMDGLDAWRQ-UHFFFAOYSA-N 0 p-Phenolsulfonic acid 5.620736101 173.9986581 C12849 0 FEPBITJSIHRMRT-UHFFFAOYSA-N 0 cis-Aconitate 18.29860245 174.0163822 C00417 0 GTZCVFVGUGFEME-IWQZZHSRSA-N HMDB00072 (2S)-2-Isopropyl-3-oxosuccinate 7.416023356 174.0527871 C04236 0 HIIZAGQWABAMRR-BYPYZUCNSA-N HMDB12149 Dimethyl adipate 4.619277015 174.0891655 C14570 0 UDSFAEKRVUSQDD-UHFFFAOYSA-N 0 Suberic acid 7.163755133 174.0892133 C08278 LMFA01170001 TYFQFVWCELRYAO-UHFFFAOYSA-N HMDB00893 [FA hydroxy(9:0)] 3-hydroxy-nonanoic acid 7.151598691 174.1254657 0 LMFA01050025 XBUXARJOYUQNTC-UHFFFAOYSA-N 0 [FA hydroxy(9:0)] 2-hydroxy-nonanoic acid 4.56931794 174.1254945 0 LMFA01050024 BTJFTHOOADNOOS-UHFFFAOYSA-N 0 FA hydroxy(9:0) hydroxy-nonanoic acid 4.095261559 174.1255132 0 LMFA01050024 BTJFTHOOADNOOS-UHFFFAOYSA-N 0 N-Acetyl-L-aspartate 14.73374168 175.048008 C01042 0 OTCCIMWXFLJLIA-BYPYZUCNSA-N HMDB00812 N-Acetylindoxyl 4.570304653 175.0631882 C02298 0 NNJXIAOPPYUVAX-UHFFFAOYSA-N 0 Ascorbate 14.53753738 176.0321464 C00072 0 CIWBSHSKHKDKBQ-JLAZNSOCSA-N HMDB00044 N-Carbamoyl-L-aspartate 17.0108667 176.0433152 C00438 0 HLKXYZVTANABHZ-REOHCLBHSA-N HMDB00828 4-oxo-4-(3-pyridyl)-butanoate 8.293977217 179.0581538 0 0 JGSUNMCABQUBOY-UHFFFAOYSA-M 0 Hippurate 7.252531899 179.0581763 C01586 0 QIAFMBKCNZACKA-UHFFFAOYSA-N HMDB11723 2,5,6-Trihydroxy-5,6-dihydroquinoline 17.02018068 179.0584068 C06339 0 HPQLNKXDNOVXAK-UHFFFAOYSA-N 0 propiin 14.76232992 179.0613799 0 0 JZKMSAGUCSIIAH-UHFFFAOYSA-N 0 D-Mannose 13.37581928 180.063355 C00159 0 WQZGKKKJIJFFOK-QTVWNMPRSA-N HMDB00169 D-Glucose 17.0328078 180.0634319 C00221 0 WQZGKKKJIJFFOK-GASJEMHNSA-N HMDB00122 D-Galactose 14.71246275 180.063723 C00124 0 WQZGKKKJIJFFOK-SVZMEOIVSA-N HMDB00143 3-(4-Hydroxyphenyl)lactate 9.165722232 182.0578471 C03672 0 JVGVDSSUAVXRDY-UHFFFAOYSA-N HMDB00755 D-Sorbitol 13.63104232 182.0790312 C00794 0 FBPFZTCFMRRESA-JGWLITMVSA-N HMDB00247 [PR] Iridotrial 4.172499949 182.0942189 C06070 LMPR0102070004 JHNAOPCUAVPDKQ-UHFFFAOYSA-N 0 Nalpha,Nalpha-Dimethyl-L-histidine 8.144943339 183.1008136 C04259 0 IMOBSLOLPCWZKQ-ZETCQYMHSA-N 0 3-Phospho-D-glycerate 17.10896647 185.9928425 C00197 0 OSJPPGNTCRNQQC-UWTATZPHSA-N HMDB00807 7,8-diketopelargonate 4.588025646 186.0891885 0 0 LUCODFUPVSYZRC-UHFFFAOYSA-N 0 FA oxo(10:0) 4.273280765 186.1257548 0 LMFA01060028 YXTHWTPUTHTODU-UHFFFAOYSA-N HMDB10724 [FA (11:0)] undecanoic acid 3.782084636 186.1619417 0 LMFA01010011 ZDPHROOEEOARMN-UHFFFAOYSA-N HMDB00947 8-Amino-7-oxononanoate 7.252401225 187.1207899 C01092 LMFA01060168 GUAHPAJOXVYFON-UHFFFAOYSA-N 0 2-oxosuberate 7.389163886 188.0685575 C16589 0 HAGOOZVJLSSXGZ-UHFFFAOYSA-N 0 Azelaic acid 10.93307315 188.1048374 C08261 LMFA01170054 BDJRBEYXGGNYIS-UHFFFAOYSA-N HMDB00784 FA hydroxy(10:0) 4.460323138 188.1411769 0 LMFA01050029 GHPVDCPCKSNJDR-UHFFFAOYSA-N 0 N-Acetyl-L-glutamate 14.1576183 189.0635535 C00624 0 RFMMMVDNIPUKGG-YFKPBYRVSA-N HMDB01138 2 -(Butylamido)-4-hydroxybutanoic acid 7.396943258 189.1001886 C11843 0 FWULQXYJOANGSS-UHFFFAOYSA-N 0 3-Dehydroquinate 11.08490414 190.047613 C00944 0 WVMWZWGZRAXUBK-SYTVJDICSA-N HMDB12710 N-Carbamyl-L-glutamate 16.78596242 190.0590175 C05829 0 LCQLHJZYVOQKHU-VKHMYHEASA-N 0 7-Ethoxycoumarin 9.769094016 190.0629252 C11052 0 LIFAQMGORKPVDH-UHFFFAOYSA-N 0 N5-acetyl-N5-hydroxy-L-ornithine 13.91300023 190.0952854 0 0 0 0 N-Acetylmethionine 7.375166575 191.0616237 C02712 0 XUYPXLNMDZIRQH-UHFFFAOYSA-N HMDB11745 Citrate 18.74041012 192.0270851 C00158 0 KRKNYBCHXYNGOX-UHFFFAOYSA-N HMDB00094 Quinate 13.239986 192.0634238 C00296 0 AAWZDTNXLSGCEK-WYWMIBKRSA-N HMDB03072 Oxoamide 7.555106227 192.0897289 0 0 WOOSCPWOYYLIHS-UHFFFAOYSA-N HMDB01004 Thymyl acetate 4.206737455 192.115043 C09909 0 WFMIUXMJJBBOGJ-UHFFFAOYSA-N 0 γ-thiomethyl glutamate 13.76979574 193.0409456 0 0 0 0 Ferulate 7.072064092 194.0578065 C01494 0 KSEBMYQBYZTDHS-HWKANZROSA-N HMDB00954 1-O-Methyl-myo-inositol 13.29954881 194.0789741 C03659 0 DSCFFEYYQKSRSV-AGZHHQKVSA-N 0 Oxidized Latia luciferin 3.73867499 194.1668623 C03527 0 QJJDNZGPQDGNDX-UHFFFAOYSA-N 0 1-thio-β-D-glucose 18.70484588 196.0403152 0 0 0 0 D-Gluconic acid 14.0515384 196.058191 C00257 0 RGHNJXZEOKUKBD-SQOUGZDYSA-N HMDB00625 Tauropine 9.28856252 197.0357584 C01616 0 VHYQDLYSULDZSO-SCSAIBSYSA-N 0 gamma-Glutamyl-beta-aminopropiononitrile 10.62340678 199.0957712 C06114 0 VQPVVWAFTIFKDD-LURJTMIESA-N 0 D-Erythrose 4-phosphate 12.86545817 200.0086905 C00279 0 NGHMDNPXVRFFGS-UHFFFAOYSA-N HMDB01321 Dodecanoic acid 3.699361517 200.1775499 C02679 LMFA01010012 POULHZVOKOAJMA-UHFFFAOYSA-N HMDB00638 S-Sulfo-L-cysteine 17.48897213 200.976668 C05824 0 NOKPBJYHPHHWAN-REOHCLBHSA-N HMDB00731 Diethyl 2-methyl-3-oxosuccinate 7.377289937 202.084247 C04067 0 OQOCQBJWOCRPQY-UHFFFAOYSA-N 0 [FA (10:0/2:0)] Decanedioic acid 4.45044227 202.1205189 C08277 LMFA01170006 CXMXRPHRNRROMY-UHFFFAOYSA-N HMDB00792 N2-Acetyl-L-aminoadipate 12.39552511 203.0794703 C12986 0 FTTGAAZKBNZDCZ-LURJTMIESA-N 0 O-Acetylcarnitine 7.283066559 203.1156185 C02571 0 RDHQFKQIGNGIED-MRVPVSSYSA-O HMDB00201 L-beta-aspartyl-L-alanine 15.60488668 204.0746098 0 0 ARSVRKCVNFIICJ-UHFFFAOYSA-N HMDB11162 4-Heptyloxyphenol 3.868045262 208.1463267 C14236 0 HZBABTUFXQLADL-UHFFFAOYSA-N 0 D-Glucarate 17.27953328 210.037633 C00818 0 DSLZVSRJTYRBFB-LLEIAEIESA-L 0 5-Hydroxyferulate 7.371349843 210.0527699 C05619 0 YFXWTVLDSKSYLW-NSCUHMNNSA-N 0 Vanilpyruvicacid 4.64049725 210.0527782 0 0 YGQHQTMRZPHIBB-UHFFFAOYSA-N HMDB11714 FA (13:2) tridecadienoic acid 3.734916687 210.1617497 0 LMFA01030244 PTYZGNZCLHAQEB-BNFZFUHLSA-N 0 FA oxo(12:1) 3.788417953 212.1413448 C16309 LMFA01060093 INMKWUNQKOWGEZ-VQHVLOKHSA-N 0 (S)-ACPA 15.0413709 214.0591073 C13673 0 JDNMYUBSFDGCSX-YFKPBYRVSA-N 0 FA methyl(12:0) dodecanoic acid 3.68814486 214.1932963 0 LMFA01020005 YETWOCQNUTWSQA-UHFFFAOYSA-N 0 sn-glycero-3-Phosphoethanolamine 15.30237223 215.0559458 C01233 0 JZNWSCPGTDBMEW-RXMQYKEDSA-N HMDB00114 2-C-Methyl-D-erythritol 4-phosphate 14.19043605 216.039996 C11434 0 XMWHRVNVKDKBRG-UHNVWZDZSA-N 0 cis-(homo)3aconitate 15.10753813 216.0630963 0 0 NGULBISQWGMRGK-WAYWQWQTSA-K 0 Ile-Ser 8.270887502 218.1265369 0 0 0 0 4-Amino-2-methyl-5-phosphomethylpyrimidine 14.33914871 219.0410268 C04556 0 PKYFHKIYHBRTPI-UHFFFAOYSA-N 0 N-Acetyl-D-mannosaminolactone 13.96126017 219.0740792 C03776 0 NELQYZRSPDCGRQ-XZBKPIIZSA-N 0 5-Hydroxytryptophan 9.933511183 220.0847636 C01017 0 LDCYZAJDBXYCGN-UHFFFAOYSA-N 0 S-(3-oxo-3-carboxy-n-propyl)cysteine 13.90154165 221.035998 0 0 MXVUEJUCBIAFCN-UHFFFAOYSA-N HMDB02135 L-Histidinol phosphate 14.14850981 221.0565907 C01100 0 CWNDERHTHMWBSI-YFKPBYRVSA-N 0 Dillapiole 3.389955139 222.0891459 C10449 0 LIKYNOPXHGPMIH-UHFFFAOYSA-N 0 Apiole 7.10543968 222.089179 C10429 0 QQRSPHJOOXUALR-UHFFFAOYSA-N 0 Dehydrovomifoliol 4.145145861 222.1255902 C02533 LMPR0103050009 JJRYPZMXNLLZFH-URWSZGRFSA-N 0 carbidopa 8.009366608 226.0953245 0 0 TZFNLOMSOLWIDK-JTQLQIEISA-N 0 1,8-Diazacyclotetradecane-2,9-dione 7.210861558 226.1680449 C04277 0 HERSSAVMHCMYSQ-UHFFFAOYSA-N 0 [FA hydroxy(11:2/11:2)] 2R,9R-dihydroxy-3S,4S,7S,8S-diepoxy-5E,10-undecadien-1-ol 8.808603312 228.0997432 0 LMFA05000013 WWAQOPQUSWZTHG-SHEFQFEDSA-N 0 Traumatic acid 4.621866735 228.1363964 C16308 LMFA01170002 MAZWDMBCPDUFDJ-VQHVLOKHSA-N HMDB00933 Tetradecanoic acid 3.635735908 228.2088695 C06424 LMFA01010014 TUNFSRHWOTWDNC-UHFFFAOYSA-N HMDB00806 D-Ribose 5-phosphate 15.67698873 230.019486 C00117 0 KTVPXOYAKDPRHY-SOOFDHNKSA-N HMDB01548 Ile-Thr 7.38034668 232.1422661 0 0 0 0 L-beta-aspartyl-L-threonine 15.50732131 234.0852221 0 0 XPMVVZFGFJOFSL-UHFFFAOYSA-N HMDB11169 Bakkenolide A 3.837911557 234.1618367 C09350 0 OVXAYHNZXBOVPV-QMGNLALYSA-N 0 3-Dimethylallyl-4-hydroxymandelic acid 4.475070826 236.1047968 C12457 0 VBHJEUYYPUPECH-UHFFFAOYSA-N 0 Latia luciferin 3.78714074 236.1778417 C02293 LMPR0103050003 MJURCEOLOMHLAX-ZRDIBKRKSA-N 0 FA oxo(14:1) cyclopentanebutanoic acid 3.916579183 238.1567179 0 LMFA02010010 LVQJNKFFJNUFNY-OPVGQWETSA-N 0 Trimetaphosphate 21.737423 239.8988304 C02466 0 AZSFNUJOCKMOGB-UHFFFAOYSA-N 0 2-isocapryloyl-3R-hydroxymethyl-γ-butyrolactone 4.231933339 242.1518715 0 0 0 0 FA methyl(14:0) 3.617050014 242.2246386 C16665 LMFA01020008 XKLJLHAPJBUBNL-UHFFFAOYSA-N 0 L-Fucose 1-phosphate 13.45540848 244.034616 C02985 0 PTVXQARCLQPGIR-SXUWKVJYSA-N HMDB01265 Pseudouridine 11.7413876 244.0694388 C02067 0 PTJWIQPHWPFNBW-GBNDHIKLSA-N HMDB00767 FA methyl(14:0) dodecanedioic acid 4.621800001 244.1673584 0 LMFA01170010 WQASHJMJHNWVAP-UHFFFAOYSA-N 0 dihydrocamalexate 10.78193766 246.0460547 0 0 GTTVJFCVXYCPHB-UHFFFAOYSA-M 0 Glycerophosphoglycerol 12.89675334 246.0503681 C03274 0 LLCSXHMJULHSJN-UHFFFAOYSA-N 0 5-6-Dihydrouridine 9.836072116 246.0850236 0 0 ZPTBLXKRQACLCR-XVFCMESISA-N HMDB00497 L-beta-aspartyl-L-leucine 12.77433329 246.1213396 0 0 IYJILWQAFPUBHP-UHFFFAOYSA-N HMDB11166 Xanthoxin 3.753159276 250.1567998 C13453 0 ZTALKMXOHWQNIA-TVBSHJCBSA-N 0 FA (16:3) 3.742554156 250.1928877 0 LMFA01030134 SBIXFICRPNNLIR-YHTMAJSVSA-N 0 ubiquinol-1 3.909058317 252.1362793 0 0 0 0 N-Acetylvanilalanine 8.005508296 253.0949392 0 0 UKDKTHYZLXZOSS-UHFFFAOYSA-N HMDB11716 5-L-Glutamyl-taurine 15.56643728 254.0572247 C05844 0 WGXUDTHMEITUBO-YFKPBYRVSA-N HMDB04195 FA(16:1) 3.591829486 254.2247207 C08362 LMFA01030056 SECPZKHBENQXJG-FPLPWBNLSA-N HMDB03229 Hexadecanoic acid 3.590912824 256.2400745 C00249 LMFA01010001 IPCSVZSSVZVIGE-UHFFFAOYSA-N HMDB00220 Ribothymidine 7.382841619 258.0851267 0 0 DWRXFEITVBNRMK-JXOAFFINSA-N HMDB00884 glycerophosphoserine 15.24519348 259.0456204 0 0 ZWZWYGMENQVNFU-AKGZTFGVSA-N 0 D-Glucose 6-phosphate 16.27123455 260.0298076 C00092 0 NBSCHQHZLSJFNQ-GASJEMHNSA-N HMDB01401 L-gamma-glutamyl-L-isoleucine 10.63719103 260.1371723 0 0 SNCKGJWJABDZHI-UHFFFAOYSA-N HMDB11170 Lys-Asn 14.57185847 260.1483481 0 0 0 0 sodium dodecyl sulfate 3.489933346 266.1550395 0 0 MOTZDAYCYVMXPC-UHFFFAOYSA-M 0 2(alpha-D-Mannosyl)-D-glycerate 14.99954529 268.0794431 C11544 0 DDXCFDOPXBPUJC-SAYMMRJXSA-N 0 FA methyl(16:1) 3.626114087 268.2402942 0 LMFA01020203 DINXWFVSXJCVPK-JQIJEIRASA-N 0 FA oxo(16:0) 3.653423114 270.2193533 0 LMFA01060050 ZVNHILZUTNYFGT-UHFFFAOYSA-N 0 FA (17:0) 3.570652556 270.2557767 0 LMFA01010017 KEMQGTRYUADPNZ-UHFFFAOYSA-N HMDB02259 FA hydroxy(16:0)] hexadecanoic acid 3.703387177 272.2348798 0 LMFA01050047 JGHSBPIZNUXPLA-UHFFFAOYSA-N 0 1-O-(4-hydroxy-2-methylene-butanoyl)-beta-D-glucopyranose 4.634862391 278.1003058 0 LMFA13010041 SQRUWMQAWMLKPR-RUHQBUNJSA-N 0 2-Ethylhexyl phthalate 3.617762835 278.1517755 C03343 0 DJDSLBVSSOQSLW-UHFFFAOYSA-N HMDB13248 [6]-Paradol 3.657108339 278.1882982 C10482 0 CZNLTCTYLMYLHL-UHFFFAOYSA-N 0 [FA (18:3)] 9Z,12Z,15Z-octadecatrienoic acid 3.591000034 278.2243499 C06427 LMFA01030152 DTOSIQBPPRVQHS-PDBXOOCHSA-N HMDB01388 8-Oxocoformycin 7.83546064 282.0963771 C02243 0 PICFAMQFTUCMDC-PNHWDRBUSA-N 0 [FA (18:1)] 9Z-octadecenoic acid 3.569617951 282.255933 C00712 LMFA01030002 ZQPPMHVWECSIRJ-KTKRTIGZSA-N HMDB00207 Octadecanoic acid 3.562593587 284.271298 C01530 LMFA01010018 QIQXTHQIDYTFRH-UHFFFAOYSA-N HMDB00827 Orotidine 12.72217077 288.0593115 0 0 FKCRAVPPBFWEJD-XVFCMESISA-N HMDB00788 Ile-Ala-Ser 10.86822823 289.1637792 0 0 0 0 D-Sedoheptulose 7-phosphate 16.21442083 290.0403127 C05382 0 JDTUMPKOJBQPKX-UHFFFAOYSA-N 0 2,7-Anhydro-alpha-N-acetylneuraminic acid 13.3336733 291.0955005 C04521 0 NCMJSVDTRDLWJE-GSQQXRCOSA-N 0 Trichodermin 3.784195836 292.16735 C09741 0 HNEGCRMUYSKRRR-NWHWRWDZSA-N 0 12-OPDA 3.742291025 292.2035765 C01226 0 PMTMAFAPLCGXGK-JMTMCXQRSA-N 0 Phytuberin 3.63312824 294.1835768 C09709 0 YARAJYKHRCCDLG-XLNGHYISSA-N 0 Aminoimidazole ribotide 16.19860408 295.0570026 C03373 0 PDACUKOKVHBVHJ-XVFCMESISA-N HMDB01235 dehypoxanthine futalosine 13.90923335 296.0899621 C17010 0 XWPBBHHZDYSYMS-ZXRVKKJVSA-N 0 FA oxo(18:0) 3.598942312 298.2510017 0 LMFA01060060 YQGGUZWHNVQJMF-UHFFFAOYSA-N HMDB10736 FA methyl(18:0) 3.579330816 298.2870453 0 LMFA01020015 BEOUGZFCUMNGOU-UHFFFAOYSA-N HMDB04085 Cinnavalininate 15.21415838 300.0384528 C05640 0 FSBKJYLVDRVPTK-UHFFFAOYSA-N HMDB04078 [PR] Tretinoin/All-Trans Retinoic Acid 3.70661668 300.2086548 C00777 LMPR01090019 SHGAZHPCJJPHSC-YCNIQYBTSA-N HMDB01852 FA hydroxy(18:0) 3.635760263 300.2663352 0 LMFA01050054 KIHBGTRZFAVZRV-UHFFFAOYSA-N 0 PIPES 14.70351273 302.0604919 0 0 IHPYMWDTONKSCO-UHFFFAOYSA-N 0 Retinyl ester 3.790968348 302.2246392 C02075 0 WWDMJSSVVPXVSV-YCNIQYBTSA-N HMDB03598 N-Acetyl-aspartyl-glutamate 17.01187892 304.0909399 C12270 0 OPVPGKGADVGKTG-UHFFFAOYSA-N HMDB01067 FA (20:4) 3.742683326 304.2403688 C00219 LMFA01030001 YZXBAPSDXZZRGB-DOFZRALJSA-N HMDB01043 2',3'-Cyclic CMP 12.57325007 305.0412492 C02354 0 NMPZCCZXCOMSDQ-XVFCMESISA-N 0 Inulicin 3.723720805 308.1623792 C09483 0 QKVABRCMWRXFAF-HMTTWLPMSA-N 0 FA methyl(18:2) 3.563537187 308.2353344 0 LMFA01070012 WJRQEOOGBUSIOJ-OCJIRGAFSA-N 0 N-Acetylneuraminate 13.31356252 309.1060371 C00270 0 SQVRNKJHWKZAKO-LUWBGTNYSA-N HMDB00230 FA (20:0) 3.529202603 312.3028722 C06425 LMFA01010020 VKOBVWXKNCXXDE-UHFFFAOYSA-N HMDB02212 Ala-Asn-Asn 15.08722389 317.1331364 0 0 0 0 Met-Ala-Pro 14.50284758 317.1414897 0 0 0 0 octulose 8-phosphate 16.60832901 320.0508201 0 0 0 0 beta-Citryl-L-glutamic acid 20.28271188 321.0698449 0 0 GAQNUGISBQJMKO-YFKPBYRVSA-N HMDB13220 gamma-L-Glutamyl-L-cysteinyl-beta-alanine 12.84990438 321.0991398 C04544 0 HKBNQXMLSMKLJV-BQBZGAKWSA-N 0 [FA trihydroxy(2:0)] 9S,11R,15S-trihydroxy-2,3-dinor-5Z,13E-prostadienoic acid-cyclo[8S,12R] 3.802655496 326.2090283 C14794 LMFA03110010 IDKLJIUIJUVJNR-JSEKUSAISA-N 0 Carnosol 4.122220866 330.1826029 C09069 0 XUSYGBPHQBWGAD-PJSUUKDQSA-N HMDB02121 Ala-Ala-Asn-Gly 14.80175956 331.1491069 0 0 0 0 sn-glycero-3-Phospho-1-inositol 15.9898136 334.0665531 C01225 0 BMVUIWJCUQSHLZ-UJGXJMNGSA-N HMDB11649 Psoralidin 7.375166575 336.099275 C10523 LMPK12090007 YABIJLLNNFURIJ-UHFFFAOYSA-N 0 11-dehydro-2,3-dinor-TXB2 3.738783391 340.1883047 0 LMFA03030013 0 0 Docosanoic acid 3.497500004 340.3337377 C08281 LMFA01010022 UKMSUNONTOPOIO-UHFFFAOYSA-N HMDB00944 S-(Formylmethyl)glutathione 12.05510839 349.0944121 C14871 0 VKLQBAQSSOPXGF-YUMQZZPRSA-N 0 15-Keto-prostaglandinE2 4.280870819 350.2090837 C04707 LMFA03010030 YRTJDWROBKPZNV-KMXMBPPJSA-N HMDB03175 13,14-Dihydro-15-oxo-lipoxin A4 7.378999964 351.217215 0 0 0 HMDB12564 [FA trihydroxy(20:4)] 5S,12R,20-trihydroxy-6Z,8E,10E,14Z-eicosatetraenoic acid 3.863612493 352.2243916 C04853 LMFA03020018 PTJFJXLGRSTECQ-PSPARDEHSA-N 0 Phenolsulfonphthalein 7.235784827 354.0559396 C12600 0 BELBBZDIHDAJOR-UHFFFAOYSA-N 0 2-Hydroxy-1,3-dimethoxy-8,9-methylenedioxycoumestan 7.231873661 356.0532881 0 LMPK12090048 POCRQIUFZUZJBZ-UHFFFAOYSA-N 0 5,3'-Dihydroxy-4',5'-dimethoxy-6,7-methylenedioxyisoflavone 7.375166575 358.0688197 0 LMPK12050420 PFFOGGCBLWTCPM-UHFFFAOYSA-N 0 Miraxanthin-I 14.79781375 358.0838621 C08554 0 KRWNKOCPQBHMPM-CEEUPZOTSA-N 0 Glu-Met-Ser 13.08317108 365.1255407 0 0 0 0 9S,15S-dihydroxy-11-oxo-15-methyl-5Z,13E-prostadienoic acid 3.541883341 366.2399967 0 LMFA03010050 CTXLUMAOXBULOZ-QEQARHSSSA-N 0 Prostaglandin G2 3.871179199 368.2195033 C05956 LMFA03010009 SGUKUZOVHSFKPH-YNNPMVKQSA-N HMDB03235 Tetracosanoic acid 3.442318069 368.3651844 C08320 LMFA01010024 QZZGJDVWLFXDLK-UHFFFAOYSA-N HMDB02003 Ile-Cys-His 14.69739031 371.1633521 0 0 0 0 (R)-S-Lactoylglutathione 12.54561666 379.1054942 C03451 0 VDYDCVUWILIYQF-CSMHCCOUSA-N HMDB01066 [SP] Sphing-4-enine-1-phosphate 7.371349843 379.2486331 C06124 LMSP01050001 DUYSYHSSBDVJSM-KRWOKUGFSA-N HMDB00277 Met-Val-His 12.61162109 385.1789931 0 0 0 0 glutathione-sulfite 19.59659993 387.0407631 0 0 WVRBCFLALSFRAF-UHFFFAOYSA-L 0 Asp-Phe-Gly-Gly 14.64183815 394.1488146 0 0 0 0 methyl 8-[3,5-epidioxy-2-(3-hydroperoxy-1-pentenyl)-cyclopentyl]-octanoate 3.621137492 396.2510255 0 LMFA01040054 SGTSZTLPOBUMKG-CXQIITPCSA-N 0 CDP 17.03791656 403.0181119 C00112 0 ZWIADYZPOWUWEW-XVFCMESISA-N HMDB01546 UDP 16.55272903 404.0020317 C00015 0 XCCTYIAWTASOJW-XVFCMESISA-N HMDB00295 Nigakihemiacetal A 3.750112534 410.2299015 C08772 0 POGHHDUAPIJTLG-XWNOXRIFSA-N 0 dADP 13.96726659 411.0342463 C00206 0 DAEAPNUQQAICNR-RRKCRQDMSA-N HMDB01508 Magnoshinin 3.82306852 414.204033 C10658 0 MWJAXRZVJODRGN-FPTDNZKUSA-N 0 ADP 14.88849564 427.0291246 C00008 0 XTWYTFMLZFPYCI-KQYNXXCUSA-N HMDB01341 N-(1,3-dihydroxypropan-2-yl)-9S,11R,15S-trihydroxy-5Z,13E-prostadienoyl amine 7.467394454 427.2931606 0 LMFA03010193 IRAOUIWKWHBHDC-GKUWGJHRSA-N 0 CMP-2-aminoethylphosphonate 14.96497091 430.06511 C05673 0 FBADRUOBFLBKJQ-PEBGCTIMSA-N 0 [PE(16:1)] 1-(1Z-hexadecenyl)-sn-glycero-3-phosphoethanolamine 4.218429184 437.2902401 0 LMGP02070001 QYTPGOPLNFESQC-NUTQULCTSA-N HMDB11152 [PR trihydroxy(2:0)] (-)-8alpha,15-diacetoxy-4beta,9alpha,14beta-trihydroxy-3(16)-fusicoccene 3.784216626 438.261551 0 LMPR0104350001 AMBIXBPMZZPLEH-RITQMIIASA-N 0 CDP-ethanolamine 16.06874593 446.0602067 C00570 0 WVIMUEUQJFPNDK-PEBGCTIMSA-N HMDB01564 Glycochenodeoxycholate 4.207715268 449.3140541 C05466 LMST05030008 GHCZAUBVMUEKKP-GYPHWSFCSA-N HMDB00637 LysoPE(16:1) 4.295775096 451.2697692 0 LMGP02050010 DSOWUEHXZJUNID-WHXUGTBJSA-N HMDB11504 9S,15S-dihydroxy-11R,18-diacetoxy-5Z,13E-prostadienoic acid 3.784212494 454.2561184 0 LMFA03010098 RPLPBOQMXRLFMI-WWHNEAPVSA-N 0 Asp-Cys-Cys-Gln 15.76162516 467.114044 0 0 0 0 Arg-Asp-Cys-Ser 12.34731519 479.1789329 0 0 0 0 LysoPE(18:1) 4.212860006 479.3002749 0 LMGP02060004 CDONWGCJDDHTLP-DJYGDJEFSA-N 0 dTTP 16.12382507 481.9889955 C00459 0 NHVNXKFIZYSCEB-XLPZGREQSA-N HMDB01342 UTP 18.07825012 483.9681452 C00075 0 PGAVKCOVUIYSFO-XVFCMESISA-N HMDB00285 dATP 15.75355428 491.0005874 C00131 0 SUYVUBYJARFZHO-RRKCRQDMSA-N HMDB01532 PA(22:1(11Z)/0:0) 3.422496694 492.3224246 0 LMGP10050029 SNGZFCPKZNNZFT-FJIRUFBNSA-N 0 Asp-Thr-Cys-Tyr 12.27384412 500.1579878 0 0 0 0 LysoPE(20:4) 4.15663751 501.2853544 0 0 YWOCITMXHHTBAW-XSQXPFHXSA-N HMDB11487 ATP 16.39915009 506.9953483 C00002 0 ZKHQWZAMYRWXGA-KQYNXXCUSA-N HMDB00538 Arg-Lys-Thr-Asp 29.31478209 518.2814669 0 0 0 0 Gln-Leu-Lys-Tyr 16.94140912 550.3110634 0 0 0 0 Glu-Lys-Lys-Phe 15.88705834 550.3124599 0 0 0 0 UDP-glucose 16.44252497 566.0546833 C00029 0 HSCJRCZFDFQWRP-JZMIEXBBSA-N HMDB00286 Arg-Thr-Gln-Tyr 21.78579203 566.2806375 0 0 0 0 GDP-4-dehydro-3,6-dideoxymannose 16.44190002 571.0712047 0 0 ACAXSHCRYZSKNE-FFJBUIDMSA-L 0 GDP-3,6-dideoxy-D-galactose 12.65180003 573.0862186 C05136 0 GRUFZTGABLSDFG-PHMHICHTSA-N 0 stigmast-5-en-3beta-ol 3-0-beta-D-glucopyranoside 3.906325629 576.4382578 0 LMST01040197 NPJICTMALKLTFW-VZBMRHBLSA-N 0 UDP-glucuronate 19.48258362 580.0340513 C00167 0 HDYANYHVCAPMJV-LXQIFKJMSA-N HMDB00935 His-Met-Phe-Phe 12.19062616 580.2472922 0 0 0 0 GDP-L-fucose 17.67837575 589.0820781 C00325 0 LQEBEXMHBLQMDB-JGQUBWHWSA-N HMDB01095 2-sinapoyloxy-3-butenylglucosinolate 17.68637543 595.102099 0 0 0 0 UDP-N-acetyl-D-galactosamine 15.05667063 607.0810559 C00203 LMSL01010002 LFTYTUAZOPRMMI-UHFFFAOYSA-N HMDB00304 CMP-N-acetylneuraminate 15.1065417 614.1473986 C00128 0 TXCIAUNLDRJGJZ-BILDWYJOSA-N HMDB01176 NADH 13.21366247 665.1242397 C00004 0 BOPGDPNILDQYTO-NNYOXOHSSA-N HMDB01487 PG(32:1) 3.46518336 720.4934691 0 0 0 0 NADP+ 16.55296656 743.0757165 C00006 0 XJLXINKUBYWONI-NNYOXOHSSA-O HMDB00217 NADPH 17.31291656 745.091476 C00005 0 ACFIXJIJDZMPPO-NNYOXOHSSA-N HMDB00221 PS(34:1) 3.427520752 761.5200477 0 0 QRWCPZZFGKGUHF-FQGNUJBYSA-N 0 PS(36:1) 3.459353333 789.5510194 0 0 AJFWREUFUPEYII-PAHWMLEVSA-N 0