metabolite_name R1_60exp1 R1_60exp2 R1_60exp3 R2_60exp1 R2_60exp2 R2_60exp3 S_60exp1 S_60exp2 S_60exp3 URBCS_exp1 URBCS_exp2 URBCS_exp3 URBCS_exp4 Raffinose 80357 11279 111837 70355 6347 14081 59501 21327 2985 431425 348825 20247 27653 LacCer(d32:1) 25780 109851 50402 21919 77101 75225 59284 15042 22380 30400 74503 264177 29130 Sucrose monopalmitate 32054 59109 76981 22029 53158 68594 43123 21035 29587 \N 108639 53530 \N 2-Oxoglutarate 954470 1538319 1711098 573960 1194703 2000309 1334746 607183 667839 108800 5282050 1723404 67496 Acetyl phosphate 32707 53672 37122 73126 42379 23549 30114 29131 18805 75771 75847 88368 107223 PG(54:0) 141397 83275 84530 100178 91516 93565 81029 63739 61235 \N \N \N \N Hydantoin-5-propionate 2483149 2202829 1859268 1571192 1642016 1543036 1372482 1443892 1464895 79758 82276 240026 93466 L-prolyl-L-glycine 92385 49040 48702 67130 56596 41520 30065 49615 43586 10339 12819 \N 24697 Phosphocreatine 33990 34864 40225 32295 26548 25956 30976 24776 20365 197702 209396 141718 139493 Dide-O-methylsimmondsin 23643 34199 30757 24822 15630 32907 37856 23408 5951 143989 171587 202565 189981 FA hydroxy(10:0) 140041 148802 127402 123750 277959 157180 137965 87239 73741 225929 300605 429546 305795 LysoPA(18:0) 74701 120067 99079 78804 72205 155982 97269 55860 58103 351844 464766 423029 346032 CMP 69984 40278 39710 \N 25213 50428 16297 32037 49169 \N \N \N \N deacetylcolchicine 254264 327904 290433 245765 468077 344687 279050 194491 159799 682864 1009568 1206193 963006 PE(P-38:4) 522151 722643 645168 555534 799317 798047 712621 368963 329596 3965144 4468380 5358989 4196251 Gln-Leu-Lys-Tyr 117153.1766 176514.454 130027.1554 126448.3485 207908.7299 149289.3743 148176.0268 89997.14612 74513.93739 293866.5044 394737.4571 448739.3664 399968.181 Gravacridonetriol glucoside 59391.37781 57618.00424 80591.24506 52598.46271 81093.66372 62979.44002 71473.34932 40603.22151 37594.00588 151153.2626 189119.613 248498.6204 239430.9397 PE(38:5) 1034340.175 1112928.79 1050474.978 1092646.553 1248601.594 1029314.791 1064067.91 765463.1776 570926.9732 3501970.059 3620536.015 3336498.187 2684581.912 3-Cyano-L-alanine 49972.55568 40297.14485 55174.70879 37507.50853 42713.74277 46479.95157 43531.58358 26351.06618 37821.02826 19843.98448 24801.75234 36884.64763 26289.2461 Phosphodimethylethanolamine 1208960.856 983120.2093 773457.7249 975546.3863 1317324.611 813906.7128 626801.068 763221.317 729263.9878 \N \N \N 28638.52028 PS(38:5) 100280.3967 130738.2183 121834.5 138471.2353 175267.5903 131580.3923 110787.6548 71002.13761 83035.23157 148853.0104 128244.512 128134.0506 121485.2685 PS(34:1) 1749955.678 1931855.458 1900608.851 1595961.865 1887017.785 2020000.013 1362935.601 1226329.49 1489783.263 857963.8653 842328.7843 1002697.488 538115.2463 PS(38:6) 452968.2173 439006.3612 492488.9987 387330.2807 606964.1678 461346.8618 324968.7342 245416.8465 437268.262 464616.3951 456200.4264 503305.1667 572468.4636 Cys-Lys-Ser-Ser 309973.1177 250870.0971 198203.0726 208699.5026 143481.9568 139279.1365 142894.0807 249269.3015 166344.6248 43390.33544 44621.66886 58778.29682 52974.29927 Asp-Phe-Pro-Tyr 69007.14392 96445.22212 69226.50732 74820.62125 163033.1479 107617.8002 75095.34136 66274.72575 40118.51953 \N \N \N \N Glycerol 45902.87709 85993.67427 19932.59521 53734.76436 19701.83268 59154.04564 34575.90996 51848.39077 24796.13882 59529.09632 24166.67802 25613.99264 22189.39768 Bergaptol 48123.0467 57855.64598 40157.23568 38646.6629 76178.51954 56014.79129 55536.85551 36984.76304 25133.69908 109314.6566 161152.9269 225941.4748 195435.7387 PS(38:4) 14511923.66 13288753.19 14687382.51 12422509.41 17722253.98 15632547.85 11756551.24 9292462.291 11515091.48 45496954 47738748.87 49396277.63 41283869.24 PS(40:5) 3812776.904 4251537.25 4415503.322 3495956.312 5520256.879 4670622.679 3304175.033 2729141.501 3433669.31 10121265.03 11250108.56 14168114.58 9543249.38 cis-(homo)3aconitate 75574.77169 68179.21938 69709.09214 76499.44139 86245.29779 72528.98452 74796.96501 48854.57012 46635.44509 136759.3611 167764.92 220843.0257 255248.2301 Ala-Lys-Asp-Pro 199475.0187 161383.9432 94408.79239 90145.11087 91710.91384 67785.03019 66134.58245 143210.8772 121298.578 \N \N \N \N PS(34:2) 463316.8364 518681.6779 505163.2084 500033.8335 616862.5736 623650.0564 367332.1356 264437.7875 479077.2875 68243.0515 122449.232 \N \N [PI(18:0)] 1-octadecanoyl-sn-glycero-3-phospho-(1''-myo-inositol) 627722.8191 504578.8326 665964.5109 561363.7221 432469.7425 378487.188 485556.6458 476403.2554 444149.9548 \N \N \N \N Pyridoxine phosphate 43417.75519 29951.6721 26151.12657 53900.70035 59593.31138 25564.5712 34218.05359 26510.59297 20161.2757 \N \N \N 31977.26269 PA(36:4) 428926.9827 343447.0462 474525.3285 396139.6414 515451.3179 338785.1653 355093.6273 289173.2416 335023.7689 1365469.275 1502036.844 1264051.809 933339.9638 PE(P-40:4) 138910.3304 186655.2778 152198.0347 148321.8215 293843.5589 219088.7005 190696.5893 102114.706 101676.6138 890778.9384 1022005.768 1430167.339 978158.9683 PE(14:0/20:2(11Z,14Z)) 423143.0054 526636.0962 523786.9429 427077.5718 530566.5659 498155.051 427415.5372 390526.7491 353356.9305 269070.1511 285574.6877 264423.3575 377241.2223 [PS(20:4)] 1-(5Z,8Z,11Z,14Z-eicosatetraenoyl)-sn-glycero-3-phosphoserine 65191 97514 85796 46380 104338 94436 57250 35574 93756 186640 115099 170620 323522 (S)-ATPA 202073 146349 150129 143932 93400 113357 115666 132968 141461 27530 25048 30309 27447 Ile-Thr 95567 77483 39076 62152 38435 48842 18579 78558 59936 \N \N \N \N Orthophosphate 564727 536544 518839 575582 871360 614057 554554 419439 369602 1441684 1686268 1639095 2107811 Ala-Glu-Ala-Glu 67648 34231 38732 40289 31400 21682 10830 60309 35874 \N \N \N \N N-Acetyl-L-citrulline 214924 146081 107895 107298 86553 75894 67620 179178 117670 \N \N \N \N Phosphoramidate 36691 40470 57070 62402 47695 43295 45268 31876 34533 129327 214848 157032 182781 [SP] Sphing-4-enine-1-phosphate 54062 81614 67311 80339 \N 85438 79869 69927 25416 213257 253303 250720 169999 Asn-Ser 63383 65533 65005 53550 63202 64828 39530 53528 59276 \N \N \N \N Ala-Ser 808759 453205 388109 375397 333104 292437 292616 628033 403845 20003 25871 43265 30034 D-Glucosamine 131946 101525 156193 134046 86181 95298 171124 108414 68744 1030086 1027337 768310 740210 Betaine 128251 108504 157861 143813 119826 103048 179981 104330 71129 847629 884140 553309 676364 Cholate 56108 140415 68734 52576 \N 137091 72164 84206 58017 80148 103129 79604 82083 D-Glucose 6-phosphate 2707545 3918122 3500104 2867062 4276780 3837341 3564388 2202273 2752888 2465708 2159335 2204788 1925869 PE(30:4) 308859 340954 332366 280938 356819 346665 351861 334739 165071 717993 781297 556304 508596 [PE(18:2/18:2)] 1,2-di-(9Z,12Z-octadecadienoyl)-sn-glycero-3-phosphoethanolamine 240033 254272 249540 244216 218907 226469 229046 204653 190355 340401 333309 282938 344240 PE(31:4) 597732 618194 589704 567547 702586 575904 751191 451780 386069 1492945 1718525 1330609 1134366 PI(40:5) 444567 491624 460687 446308 672942 582123 391590 371657 395636 61428 79357 317463 134572 [PE(18:1/16:0)] 1-(9Z-octadecenoyl)-2-hexadecanoyl-sn-glycero-3-phosphoethanolamine 781157 834852 826670 707892 625537 606459 726100 655818 666349 550714 536467 438152 521087 Met-Met-Ala 57774 38356 40784 33954 15908 28274 14465 35127 55547 \N \N \N \N PA(36:3) 386981 321350 478834 348458 522345 423680 367324 313527 332466 1077760 1201897 1179036 957020 N2-Succinyl-L-ornithine 703549 529759 642829 578579 369625 417044 403457 612541 530817 36305 19048 9557 16727 5-L-Glutamylglycine 153423 202963 143253 111375 144463 142868 127734 148211 137794 36048 39817 133076 109055 sn-Glycerol 3-phosphate 3562937 3085157 3592516 3751154 2202454 3688285 3325177 3341174 2263187 30963205 28871938 26401459 11339161 4-Methyl-2-oxopentanoate 86506 134145 125114 71467 122115 130447 110409 88400 95250 217686 354437 398481 348451 Cyclic ADP-ribose 3190417 3418276 3154972 3388435 3415425 3846354 2830559 2560581 2887770 1825348 1734724 1423292 1352674 PS(36:4) 814881 930761 959422 759600 1113963 1026902 667203 620021 947101 782377 657353 664166 674602 Orotidine 304924 533368 341646 307534 392278 462708 338879 274497 368312 1372849 1138112 2086548 1642272 Miroestrol 807954 824824 821452 862316 1472696 976881 848960 706539 612885 1382793 1582057 1603065 2520772 (R,R)-Tartaric acid 204438 253601 251470 231677 344331 270350 280864 194790 163358 581094 676210 808133 767761 PI(38:5) 432142 418995 369674 339293 673329 410733 341225 373101 337471 333829 435836 584572 321120 PE(36:3) 588114 578511 704239 678066 860515 651093 648407 600928 425679 1626747 2157251 2132718 2284936 Allogibberic acid 30722 26235 34554 40944 26847 30207 42213 28612 15634 238717 286114 175580 196295 PI(36:1) 2254541 2789928 2159831 2069272 3320801 2596234 2213761 2336186 1759574 177200 244988 525057 247074 [FA (20:1)] 11Z-eicosenoic acid 87305 114204 89693 88132 129692 91601 77599 77510 94073 196565 126415 147825 127907 Met-Thr-Asp 49578 21622 29024 71928 70543 37710 35007 29347 27343 113290 99444 60522 54900 Cys-Leu-Cys-Tyr 78756 100640 74596 93604 130262 109285 101880 70621 59473 43075 \N \N \N Asp-Trp-Asp-Gln 45632 59724 45063 39202 32343 53827 68138 51808 22635 227556 217527 233609 262145 N-D-Glucosylarylamine 306073 302543 269351 307296 392605 342547 384856 243939 197689 519194 782434 888276 646146 PA(34:2) 760996 586958 738192 662282 979840 758991 671995 514168 685479 1861832 2245344 2092760 1992068 Hydroxymethylphosphonate 117927 134746 147773 198303 171870 198835 106742 114767 129631 157072 201996 175929 169037 FA (20:0) 268858 415930 402257 422213 657570 474437 302812 285149 361150 708832 621927 748308 1799953 [PA(16:0/18:1)] 1-hexadecanoyl-2-(11Z-octadecenoyl)-sn-glycero-3-phosphate 1419434 1265377 1415231 1199801 1719317 1447756 1305310 1298266 1115519 2716779 2797673 2862820 2893041 UDP-N-acetyl-D-galactosamine 1257719.216 782469.1605 1170620.437 1027822.497 1063724.621 1019690.453 893693.3239 1005807.582 984697.5046 2515414.582 2312558.258 1423235.785 656232.802 N-Acetyl-L-glutamate 91105.74704 110624.659 91851.27682 103125.2636 121697.2835 108003.187 81577.46263 86518.52367 91699.51589 65957.35285 22269.86199 35307.48316 51096.65066 D-Xylonolactone 752325.6926 1832475.392 594505.7217 1104217.166 2084826.831 1541146.391 815355.7606 858028.1498 1032776.782 1325792.456 1216030.998 7154166.792 3446696.416 N-Acetyl-D-glucosamine 6-phosphate 92127.95034 57526.75616 99738.75169 107886.276 75042.65701 70706.41678 92265.67193 74884.44866 68922.69713 384238.048 394529.4488 185758.3614 243571.0041 3-Phospho-D-glycerate 1129455.16 575720.2195 1070899.052 1525983.611 1398072.704 1268149.708 1016047.477 709247.1303 893128.7982 3287769.136 2975149.044 2518522.231 4023900.388 [PI(18:0/20:4)] 1-octadecanoyl-2-(5Z,8Z,11Z,14Z-eicosatetraenoyl)-sn-glycero-3-phospho-(1''-myo-inositol) 70799.54006 68821.38728 64116.98811 69383.20219 115828.2874 89879.31023 73976.64642 57173.30593 58431.66815 82729.13158 106858.3074 134345.9652 93521.38135 1-18:2-2-18:2-monogalactosyldiacylglycerol 165929.2599 205555.0588 181423.4223 166716.9665 166669.8208 179354.3135 174261.5385 188169.3225 143889.4147 189641.632 234563.3019 329058.5198 309703.0101 D-Sorbitol 10268364.76 11292320.78 11696497.35 11669630.05 4657288.897 14497927.44 15203498.2 12317915.13 5371256.73 96049125.12 86044092.28 111567454.6 95785103.73 nonulose 9-phosphate 73299.50706 97776.49547 74623.59464 111115.7251 151295.2043 86689.2442 89150.2916 62398.68845 76361.97393 292263.4082 246942.2792 275201.1942 303044.7113 ancymidol 325189.4525 396603.4237 313748.4938 386859.7311 401514.7666 343022.8543 377966.6594 257949.1636 327922.1214 899090.0312 796368.4468 920422.8778 309446.1078 D-Mannitol 1-phosphate 4337917.318 5716500.32 5025377.653 6184366.158 5659977.724 5591578.936 6087377.887 3894931.247 4341152.7 8128998.907 7150701.436 7522971.324 6243326.502 3-beta-D-Galactosyl-sn-glycerol 156804.4458 129089.6312 169819.9562 158914.5315 148077.166 122471.9808 235039.2345 134545.3454 94769.14544 953954.1446 936318.8234 778442.167 610881.4824 PI(36:4) 345126.4519 285148.822 336007.1552 256266.8574 416077.3407 313947.2412 307422.5239 331950.9567 277221.8036 876675.3565 905650.1612 992109.3321 819684.8497 sn-glycero-3-Phosphoethanolamine 282640.1453 288850.8198 261122.6342 281108.3975 445630.9071 268249.7935 349382.6978 196445.6243 259599.046 818091.6303 1057752.479 864018.5566 1498943.352 LysoPA(16:0) 88235.06625 143647.7274 114352.5805 98740.27912 66716.94263 172827.5278 147506.0746 82835.7912 102883.8014 402499.7829 425417.8665 441265.5977 498196.8146 PS(18:0/18:1(9Z)) 647524.2603 880924.7062 937749.9845 928250.1017 942114.7289 961515.864 802875.8122 783853.987 738187.3559 276517.3152 300417.2266 271721.0188 264025.7182 (Z)-4-Hydroxyphenylacetaldehyde-oxime 34805.17243 66290.46076 36177.75198 51669.86669 51891.36472 40477.57815 50145.00431 36339.646 42367.74764 97159.56478 116205.0948 132177.2664 90757.57774 Cholesterolsulfate 314791.5217 504289.1549 507415.5853 346078.0041 648226.0837 574833.8407 393877.3972 280863.5652 541848.2401 1558908.264 1352572.128 2254951.358 1341051.114 [PS(18:1)] 1-(9Z-octadecenoyl)-sn-glycero-3-phosphoserine 114840.7726 223115.1245 159159.8707 117262.7246 202251.6006 219113.9734 108491.0879 142215.6382 192705.4584 51482.85435 30682.0787 69521.65451 121167.0854 Psychosine 47769.6419 25696.78772 59484.70031 52342.56775 13359.05469 26127.73492 73254.31677 44785.12669 23625.72911 331290.099 311507.2398 193178.1828 271796.81 UDP-glucose 3514151.377 3011565.562 3612060.237 4407919.885 6852158.824 4139233.611 2964496.568 2820631.627 3789311.255 5594859.011 5353290.016 5494137.601 4195084.033 Taurine 428741.4252 353027.4652 622955.8492 494349.5271 283940.8836 501703.7733 750597.5526 467643.3809 263477.8935 3310267.695 3265764.217 3505393.641 5264471.684 PA(18:1(9Z)/0:0) 51364.86293 84515.93409 74677.70429 56664.25492 51415.12793 72478.84747 67749.55016 56616.24443 74410.13947 181371.751 160855.2521 196895.572 194476.5746 PG(40:5) 374167.7842 408015.1795 389259.8656 432396.2611 525528.8493 461751.6219 445121.9959 331734.6908 367889.0541 \N \N \N \N D-Gluconic acid 3716792.84 4046261.887 4615845.361 4088298.936 3561372.817 4240765.433 5604796.696 3600352.629 3325320.761 27298172.4 27299703.7 30148762.55 25292489.06 PI(34:2) 431014.2832 468000.2137 406091.2388 379086.2518 636246.2889 476029.6772 409458.1361 419414.313 421052.0793 705472.8462 855279.7066 995808.1978 786478.4121 D-Ribose 5-phosphate 935535.1271 434330.2642 609781.4006 2309174.833 1030352.524 645853.2386 754058.5028 742638.297 506853.1689 2541895.073 2091864.809 2053577.213 2643858.557 5-Acetyl-2,4-dimethyloxazole 2420799.997 3322475.596 2878716.558 2894441.198 3521667.941 3394932.393 3185408.321 2365350.894 2838713.045 8115932.434 8549548.258 8532512.858 5634167.509 CMP-2-aminoethylphosphonate 284357.1822 714912.5395 354205.7235 239085.7471 444751.9184 634109.9174 385225.7912 377257.5181 488025.9483 462569.901 481123.6444 1685074.062 529733.0299 Phosphoenolpyruvate 286946.1133 184955.3663 283138.353 377357.3853 350432.9068 331728.5749 300581.3729 234229.5053 229662.1075 849571.0201 788650.7419 826268.1966 849222.7544 2-Dehydro-3-deoxy-D-gluconate 697411.7484 796150.8054 874474.404 680241.9612 805513.3815 772742.6056 1012318.696 807190.3852 588774.5832 4306991.583 4447066.704 5033485.8 3284760.847 [SP (16:0)] N-(hexadecanoyl)-sphing-4-enine 74970.40015 95960.2099 79933.68427 89858.42016 130467.1277 90779.7182 95412.7518 71400.49117 80370.26853 155560.7207 144370.7445 178262.2501 137245.0515 Histidinyl-Asparagine 44830.1997 43124.92855 34181.58857 26367.15225 25384.3704 27717.50112 22172.00785 56205.99843 36232.76822 \N \N \N \N PI(36:2) 1327471.275 1339712.203 1289904.682 1143128.055 1673854.007 1355169.657 1306489.844 1355800.611 1234900.484 291651.8652 366261.9053 641504.5605 453701.4621 D-Glucuronate 94383.21691 116515.0022 85468.79127 121452.4478 195580.0039 101538.904 98931.11901 86590.45921 102578.2537 308627.3237 230366.5755 385064.8498 590667.6844 L-Aspartate 17864859.09 14037415.34 19600979.57 20596628.16 20767046.52 14939168.71 19573734.53 15170484.95 17143874.22 40820878.18 45308932.32 35088390.32 63965520.72 N-Acetyl-D-glucosaminate 71849.94364 174590.6652 76325.37828 72810.34097 158313.2925 139461.7001 123279.0098 56145.17874 129914.4325 453687.6081 418379.9296 1019575.685 819460.9908 4-Amino-4-deoxychorismate 31585.51946 39539.28039 44776.11289 39306.72215 48063.15109 45104.73648 37916.2651 28084.64559 46879.09457 129016.5853 124954.1429 92796.13725 105603.5231 Phenolsulfonphthalein 10268364.76 9108722.841 10895367.39 11938515.54 11632668.91 9896411.341 11818103.87 10200098.14 9050199.696 6717191.142 8204194.143 9108838.817 6464046.303 [PI(16:0)] 1-hexadecanoyl-sn-glycero-3-phospho-(1''-myo-inositol) 72574.63123 58662.98258 59891.51992 40557.39256 57067.09117 55005.50606 56064.52981 67930.66141 65613.52244 \N \N \N \N Imidazole-4-acetaldehyde 30923.23899 21203.88874 31326.41565 28021.27903 37047.94317 18039.61501 38345.05366 28012.32342 22317.9741 135019.7544 187018.514 84368.62928 130539.8266 ADP-ribose 34367.92788 29064.55131 32043.74616 37814.4119 48541.05604 32673.32756 21485.98943 23198.67432 45915.01031 \N \N \N \N N-Succinyl-L-glutamate 911365.898 648664.8295 812870.2477 672471.5067 555868.8894 710038.9118 623058.0917 737849.8155 965059.675 \N \N \N \N Kinobscurinone 87760.90748 85634.00449 91866.8738 77200.13179 75272.70597 99256.9873 68003.96446 81476.94419 110565.2044 99939.16405 79220.27741 87295.12585 66364.03652 gamma-L-Glutamyl-D-alanine 263528.839 193403.4338 143190.4299 160423.8866 136927.5041 115827.0153 102484.9752 271686.5834 208078.7148 \N \N \N \N Ala-Gly-Tyr 188068.4076 144942.2988 147539.5808 196885.5818 142379.354 179667.9493 143409.7859 179448.2385 163762.3633 7175.690008 9096.267022 \N \N Val-Pro 69260.72606 47530.99053 49139.07497 75151.24117 29766.52188 37870.38394 28917.82684 71387.32911 61278.80789 \N \N \N \N PG(36:1) 2449377.747 2603945.38 2474745.71 2401102.209 3181668.841 3004300.236 2643533.794 2448971.169 2616916.011 539945.0541 612269.0627 699966.7584 814152.0157 L-beta-aspartyl-L-serine 535464.0832 622796.5245 515785.9913 260104.4582 284891.259 364115.9205 313114.449 716389.7383 595644.5034 49402.40049 44129.45513 78044.0893 56555.94327 2-Oxoglutaramate 207198.4432 103727.7357 118380.954 105021.2508 106166.963 96304.04906 171138.2622 179419.105 110598.4758 30797.53291 22934.01928 27388.18498 18578.55864 PG(40:6) 301956.6224 278385.9073 257427.873 270082.4457 276447.8394 332930.6816 288809.7798 280540.0579 291237.2427 \N \N \N \N PE(36:1) 630703.1988 588466.1147 537058.0278 553917.1403 667511.6239 596043.9146 608907.297 676000.4291 533154.576 285148.822 300022.158 331263.8933 273633.4474 Melibiitol 36739.63854 39984.12267 31377.08086 25178.10702 28110.45239 33778.10509 31295.9245 40908.80238 36894.4261 66670.34088 57762.35075 123150.8951 46786.26043 melibionate 47061.57578 38201.01999 36476.69863 36988.62677 67385.37585 48177.86373 52998.35796 30408.94804 45331.58172 146515.7722 155633.9381 191530.6333 189085.8451 2-Deoxy-2,3-dehydro-N-acetylneuraminic acid 252404.1004 323260.5996 265411.7839 288504.8826 426739.0429 334553.1887 369428.0793 223114.7344 292968.5073 1511424.136 1557329.285 1835997.042 1908788.454 7-Methyl-3-oxooctanoyl-CoA 69373.30642 42262.70956 67394.75706 70110.39035 108406.9593 72541.56185 67295.11871 73344.70927 51189.53096 200490.1279 245248.7105 159966.8377 277233.5222 Sanguinarine 55795.64925 54241.70365 62076.81887 44133.47288 55563.14542 57704.15441 63652.37667 48152.27672 66955.39963 246507.1571 236054.8475 150370.7857 148742.3618 2,3-Bisphospho-D-glycerate 32580.66227 37577.22747 53646.64516 40870.94665 88631.46485 47557.12689 52097.4247 33583.02963 45812.0229 302588.2942 146041.1093 160740.0252 224628.026 LysoPE(20:4) 137702.8807 120654.9285 174473.1193 122145.1137 200364.7075 159649.0397 140904.2094 120345.4771 187794.9433 441111.8471 394085.6946 430131.6341 680027.323 Glycochenodeoxycholate 54303.29421 76136.56709 58673.57711 62420.08903 \N 88966.83709 77100.74506 85170.43457 43302.42621 74359.82964 54980.21079 74159.62832 104773.728 Ser-Ser-Ser 49110.42725 41391.79517 51073.21131 68310.97507 55809.27835 46796.48801 54700.58616 56840.90457 42566.15763 50789.35657 88018.7649 43696.29385 50876.7628 [FA (22:5)] 7Z,10Z,13Z,16Z,19Z-docosapentaenoic acid 190269.9503 202814.9943 159950.1019 245583.0623 113846.3909 216942.5344 192014.5079 225577.7367 170995.924 305363.0358 313093.3875 248297.9746 253297.1644 2-Hydroxy-1,3-dimethoxy-8,9-methylenedioxycoumestan 355279.3303 328660.1889 368620.3546 421305.3062 422906.4103 326372.7726 429349.9438 352246.4507 362133.2329 259166.9215 254870.8734 374685.5634 231002.4217 4-Hydroxyphenylacetylglycine 101585 82099 93742 104704 172589 110711 102621 92798 104941 345464 329771 246023 303326 PI(36:3) 512144 434165 376469 478897 493260 521111 402514 521514 483360 272573 424757 553540 319977 Fumarate 244180 207210 233652 268553 290462 223371 207245 316826 218169 588055 681562 557151 936257 D-Fructose 1259698 1305080 1303143 1323732 1910740 1321271 1797953 1324367 1338011 2381928 2081520 2230236 1892198 Citrate 202844 430614 355786 213661 342679 635606 394379 429014 271422 837972 575962 4891886 3689912 PIP(36:1) 112708 202284 154318 168886 188506 168031 214295 169327 142510 16871 42395 116059 49184 6-Phospho-D-gluconate 123829 91249 102399 166324 234387 136293 108060 94554 143445 108651 78093 164408 210990 Asp-Gln 38181 30320 26121 23451 22319 20426 33601 44676 28026 \N \N \N \N D-Sedoheptulose 7-phosphate 1877967 1694741 1592389 2180916 3396312 1784670 2122788 1511755 2154437 8095315 6853829 7380860 8653954 3-Oxopropanoate 38146 40702 45057 52001 58266 58325 60548 40321 42393 60752 57026 161248 158316 N-Acetylmethionine 76922 54870 71594 76288 53309 54108 84329 83071 66137 16804 33148 16085 17987 FA(16:0) 13621300 13975027 16129416 28501861 41768308 19036409 15634367 11972149 20491712 53838062 31158824 37813702 100517247 Sulfate 3269568 2588839 3367499 3660613 4240774 3311117 4104240 3251891 3314188 9830475 8025843 9267296 10196053 Maleamate 37387 83954 37690 71598 74921 66327 58745 56595 58484 14673 15865 14020 17259 Sinalbin 86641 63236 70317 97266 82890 83185 78603 87005 83572 \N \N \N \N PS(18:0) 156387 184511 163783 158865 195880 157767 177555 190965 194214 318539 267633 371753 476420 [FA trihydroxy(4:0)] 2,3,4-trihydroxy-butanoic acid 677117 429626 625683 596782 608238 427234 802856 723863 526948 2528567 2465476 1899646 1809027 Asp-Ser-Tyr-Tyr 33069 57198 54016 83183 80317 76097 61766 43414 57934 \N \N \N \N PG(38:6) 270026 226594 210736 207823 202015 243670 257389 287962 258485 \N \N \N \N N-Amidino-L-glutamate 40084 61199 40032 50165 52021 54723 49670 58359 49598 \N \N \N \N HEPES 171837941 157219052 214702828 266196630 235776242 222511669 224051552 193196774 212275009 109066309 81613250 80737364 96764168 (S)-Lactate 5605689 5693261 5394275 4245381 2143794 6215207 6709236 6655996 5886309 9139464 8861158 12764918 10088000 [FA (18:3)] 9Z,12Z,15Z-octadecatrienoic acid 274125 435366 406771 356593 192672 535441 386228 420845 442739 298667 324285 344396 727036 (S)-Malate 3176799 2894533 2731583 3810218 4530460 2708455 3120761 4068293 2920724 3101653 2812634 4106493 3391684 2-C-Methyl-D-erythritol 4-phosphate 118119 101616 233064 264274 252215 173662 216603 166393 160905 94713 36697 278761 889411 FA (19:1) 66605 75303 83375 39927 97529 92132 75995 96959 85875 139098 82524 214192 102588 UDP-glucuronate 28203 25422 37974 49280 54439 50504 31811 27712 45679 270716 153810 247998 243479 D-Xylonate 139683 198904 135894 134681 179129 235459 215223 138530 202882 1293080 1652662 1955927 2546711 LysoPE(22:5) 39573 38515 57758 50654 68124 49746 46668 44753 66931 85667 52676 74528 133858 Icosatrienoic acid 104614 135334 129839 147877 102220 150113 130104 158733 144474 185368 183328 141848 93356 D-Glycerate 33775 31255 45925 29493 38762 34867 58556 41166 39137 166612 136778 154001 121662 PG(36:5) 318070 271199 227363 285149 259734 261098 274628 344131 345075 \N \N \N \N [FA (18:1)] 9Z-octadecenoic acid 5052698 5529227 5501092 6023035 5149411 6492550 5746977 7001762 6511729 7779505 5368164 8715899 9286576 Cyclic 2,3-bisphospho-D-glycerate 27552 15150 28073 36421 41044 30681 27421 27216 32034 149972 103185 153273 140551 LysoPE(20:5) 37159 35454 50125 35783 71363 45656 44590 41851 61027 20380 30929 \N 37202 Orotate(Fragment) 199167 315186 114203 260705 175722 254673 163467 256437 296537 29147 38843 54197 51875 N-Acetyl-D-mannosaminolactone 32452 32984 35218 32988 30444 34923 29976 51942 38604 58434 25796 14546 26995 D-4''-Phosphopantothenate 235530 160084 208256 265684 194329 183344 167878 300238 255836 \N \N \N \N Glycyl-Serine 80383 72474 73318 87261 72855 72938 66313 116212 92543 \N \N \N \N LysoPE(18:0) 135640 137345 157784 136105 207433 146106 157865 199313 176466 165023 160746 265430 257155 Succinyladenosine 139545 176013 251148 273449 168745 203481 188843 234058 271897 64188 \N 109570 91276 Ile-His-Val 63325 47859 71501 73781 67322 91062 45482 95477 82071 \N \N \N \N Gln-Met-Met-Thr 46459 67848 90082 81249 101383 66168 87829 69438 99244 \N \N \N \N Benzyl sulfate 36776 88714 98400 53132 \N 129992 90673 90211 97501 150667 123815 168617 140457 FA (20:4) 263451 240221 238385 288489 200643 354069 307390 342507 297761 243560 303641 284130 381251 PG(36:2) 3520457.515 3504667.209 2954875.443 3251854.002 3654220.252 3697358.214 3593190.457 4538179.258 4377942.129 239914.1271 312503.1743 265503.2091 331431.6039 (S)-Dihydroorotate 355393.9981 623103.398 263299.5213 781467.8009 325186.38 405521.7255 563472.5351 581890.7471 429634.1795 34984.65717 40192.26458 33838.73569 28238.9493 2-amino-3,7-dideoxy-D-threo-hept-6-ulosonate 42086.06026 22553.30352 37643.73217 46289.31268 33180.01976 21458.89998 54143.47721 50233.68023 34134.57795 326285.1181 299591.8929 133477.2588 230765.8911 octulose 8-phosphate 351973.1526 232969.975 453914.8918 511179.7082 394847.6956 274025.0508 490278.8861 399411.3425 474934.4298 3265528.076 2815712.879 1968571.329 3165795.585 Phaeantharine 39338.84703 22457.51279 13663.22236 23425.30346 26873.88358 12722.33515 8737.166604 50009.68192 32594.57242 \N \N \N \N PG(33:1) 114760.1499 101996.591 110518.2307 111999.3921 152921.3138 114767.4748 145815.5318 153942.6716 129998.5538 \N \N \N \N Asn-Met-Thr-Asp 62346.36088 47544.19447 101835.9764 119912.6835 41553.44625 64122.05791 92035.59013 100147.4256 87748.71055 286363.2984 151123.9596 271743.9871 231355.4967 L-Cysteate 25853.64933 29362.17864 27710.26316 27919.36933 37685.25448 28831.49743 40407.39357 29607.05784 38272.16438 66264.48198 61731.26516 62640.69449 36527.18897 D-Erythrose 43458.23435 47613.35798 50171.83579 46708.32869 39823.5869 40166.34793 102953.3714 44824.60613 49984.88986 272192.0636 251281.4895 321460.9412 276545.5768 PG(36:4) 1097957.41 899561.3247 828125.0972 892400.1377 880609.5294 1001605.312 962337.9647 1402234.505 1262320.934 31510.98497 \N \N \N [PG (18:0)] 1-octadecanoyl-sn-glycero-3-phospho-(1''-sn-glycerol) 944906.5816 990784.2482 966552.4757 1158992.164 686130.4815 797198.1666 1158899.653 1400702.653 1245469.352 \N \N \N \N Sulfoacetaldehyde 46885.82908 68309.56265 62551.1003 55187.96438 49958.30266 75834.14758 78687.46591 77824.7296 77926.6801 21012.09138 20155.60473 29051.12257 12031.83401 Sambutoxin 187714.041 236787.7816 295467.9433 198202.4485 378708.8801 277406.7909 309774.5074 312874.7201 353073.8358 377839.249 396641.2899 389827.2524 580569.913 AMCC 22583.93357 37526.142 28100.37172 26712.45583 25878.13517 31700.30684 44306.685 37483.68587 40437.08148 \N \N \N \N PG(34:2) 1160421.876 1083744.848 943349.8162 1022310.95 1125034.056 1133693.723 1140048.624 1704788.973 1522180.403 32993.04232 67664.52322 \N \N PG(36:3) 1835267.452 1692900.28 1454036.582 1607823.076 1833709.323 1887612.188 1874616.873 2506878.121 2459929.813 \N \N \N \N 1-Sinapoyl-D-glucose 75347.13063 27850.06387 39437.41207 67825.9099 50161.5877 27130.07405 55812.20252 64230.72168 79946.3738 56177.61079 43546.64532 \N 76647.9511 PG(34:1) 3087561.855 2871713.289 2445048.89 2717513.473 3039870.315 2987367.603 2994629.348 4494958.504 4083626.692 448901.1074 520083.1176 532623.1883 639538.4845 4-oxo-4-(3-pyridyl)-butanoate 114688.3188 97640.43005 107127.4815 121288.2932 124051.5327 166266.3095 179684.7479 199761.0884 109599.7808 872860.8003 747048.2625 972882.8956 548079.0592 1-Deoxy-D-altro-heptulose 7-phosphate 51394.59404 33227.1933 36647.86922 45069.77836 56258.04369 39205.1314 31688.47877 78252.3382 62538.88606 \N \N \N \N PG(34:3) 356698.7942 307071.3655 273315.5484 293537.8811 282301.0383 360618.7288 406200.1942 528640.7242 443372.2263 \N \N \N \N L-Cysteine 27721.95104 32975.34111 51717.54928 55789.98635 66375.45256 50372.42348 65048.1257 56306.29759 49838.07126 \N \N \N \N LysoPE(18:2) 55487.8766 68965.49014 111310.3312 63674.06171 100974.6159 78521.27243 104925.9118 110418.1086 139833.1386 92989.61294 99620.97147 118875.7617 264548.8545 [PG (18:1)] 1-(9E-octadecenoyl)-sn-glycero-3-phospho-(1''-sn-glycerol) 240885.5721 173031.8687 187888.9083 273984.4446 186851.5498 191697.9198 254395.8037 377513.8172 316460.6505 \N \N \N \N LysoPE(18:3) 31870.92827 39174.05901 45569.48607 30414.24221 60680.16569 41843.60399 40006.81582 66439.69396 75216.28785 \N \N \N \N 1-thio-beta-D-glucose 22578.02133 24129.13743 17674.45397 17703.2775 28494.84525 23634.42874 18935.30518 36263.58422 43624.95168 \N \N \N \N Icosadienoic acid 42234.58073 36467.36751 43060.95624 86652.27164 51450.46754 62295.2452 73857.99413 64546.82748 69296.00638 139383.0682 \N 52786.01401 \N 2-16:0-lysoPG 221953.4383 233518.682 182791.8692 286236.1277 232688.1689 177232.9673 231452.6593 483040.1265 341783.1828 \N \N \N \N Arg-Cys-Cys-Tyr 31341.41864 54237.35108 69857.59328 115099.9442 70718.71005 95457.9492 106944.2897 76576.26434 98698.02659 \N \N \N \N metabolite_name retention index quantified m/z PubChem CID KEGG ID mass Raffinose 16.92705547 C01835 504.1695672 LacCer(d32:1) 7.865127617 973.7436776 Sucrose monopalmitate 15.41810034 598.3563732 2-Oxoglutarate 15.33578012 C00026 146.0216461 Acetyl phosphate 15.37761377 C00227 139.9874794 PG(54:0) 3.674832097 1038.785089 Hydantoin-5-propionate 15.21687129 C05565 172.0483639 L-prolyl-L-glycine 12.35036363 172.0847771 Phosphocreatine 15.09491565 C02305 211.0357233 Dide-O-methylsimmondsin 13.89776389 347.1214213 FA hydroxy(10:0) 7.887166432 188.1412242 LysoPA(18:0) 4.569095405 C00416 438.2739964 CMP 15.75500552 C00055 323.0519011 deacetylcolchicine 14.98152413 C16712 357.1569962 PE(P-38:4) 4.164332758 751.5526037 Gln-Leu-Lys-Tyr 16.72065352 550.3115436 Gravacridonetriol glucoside 14.27608662 519.1740041 PE(38:5) 3.940332825 765.5301328 3-Cyano-L-alanine 17.2008726 C00429 114.0429711 Phosphodimethylethanolamine 15.05845832 C13482 169.050397 PS(38:5) 7.19915252 809.5190818 PS(34:1) 3.771972725 761.5212157 PS(38:6) 3.736561115 807.5054247 Cys-Lys-Ser-Ser 11.64162158 423.1791015 Asp-Phe-Pro-Tyr 14.96760371 540.222904 Glycerol 10.37878511 C00116 92.04729458 Bergaptol 15.02283909 C00758 202.0266752 PS(38:4) 3.758414923 811.5367376 PS(40:5) 3.742395487 837.5511015 cis-(homo)3aconitate 12.55089089 216.063486 Ala-Lys-Asp-Pro 14.73786049 429.2223261 PS(34:2) 3.781841375 759.5055716 [PI(18:0)] 1-octadecanoyl-sn-glycero-3-phospho-(1''-myo-inositol) 7.901131448 600.327304 Pyridoxine phosphate 13.74249064 C00627 249.0404615 PA(36:4) 3.737178907 696.4732531 PE(P-40:4) 4.027035047 779.58391 PE(14:0/20:2(11Z,14Z)) 4.831573208 715.5157153 [PS(20:4)] 1-(5Z,8Z,11Z,14Z-eicosatetraenoyl)-sn-glycero-3-phosphoserine 4.24658332 545.2753763 (S)-ATPA 11.19047314 C13733 228.1107822 Ile-Thr 7.91437264 232.1422223 Orthophosphate 19.18948758 C00009 97.97683232 Ala-Glu-Ala-Glu 14.93431087 418.1701963 N-Acetyl-L-citrulline 12.06327394 C15532 217.1060849 Phosphoramidate 27.40059698 C02306 96.99274044 [SP] Sphing-4-enine-1-phosphate 7.924531692 C06124 379.2488204 Asn-Ser 13.49809647 C04673 219.0852831 Ala-Ser 11.5776943 176.079655 D-Glucosamine 11.47984659 C00329 179.0794277 Betaine 11.26558909 C00183 117.0790583 Cholate 4.686606468 C00695 408.2876385 D-Glucose 6-phosphate 16.70848182 C00092 260.0297078 PE(30:4) 7.906984827 655.4215466 [PE(18:2/18:2)] 1,2-di-(9Z,12Z-octadecadienoyl)-sn-glycero-3-phosphoethanolamine 6.252543455 739.5149622 PE(31:4) 7.907219908 669.4359362 PI(40:5) 3.741084675 912.573565 [PE(18:1/16:0)] 1-(9Z-octadecenoyl)-2-hexadecanoyl-sn-glycero-3-phosphoethanolamine 5.46713188 717.5307553 Met-Met-Ala 14.58808907 351.1280049 PA(36:3) 3.76108563 698.4882649 N2-Succinyl-L-ornithine 13.40425862 C03415 232.1058969 5-L-Glutamylglycine 16.16293736 204.0746153 sn-Glycerol 3-phosphate 14.82470693 C00093 172.0135241 4-Methyl-2-oxopentanoate 4.70487762 C00233 130.0631113 Cyclic ADP-ribose 14.08828729 C13050 541.0602419 PS(36:4) 3.757361102 783.5056112 Orotidine 12.01640502 288.0595742 Miroestrol 14.50190652 C05366 358.1410619 (R,R)-Tartaric acid 17.34662937 C00898 150.0164981 PI(38:5) 3.75630073 884.5423182 PE(36:3) 3.992322217 741.5300725 Allogibberic acid 11.42136381 C09061 284.1406836 PI(36:1) 3.783334493 864.5726377 [FA (20:1)] 11Z-eicosenoic acid 3.88288769 C16526 310.2874421 Met-Thr-Asp 13.23459564 365.1259893 Cys-Leu-Cys-Tyr 8.627949053 500.1770659 Asp-Trp-Asp-Gln 13.9031256 562.2019805 N-D-Glucosylarylamine 7.866302005 C03142 255.1107074 PA(34:2) 3.781757318 672.4732682 Hydroxymethylphosphonate 14.38501723 C06455 111.9925721 FA (20:0) 3.866627365 C06425 312.3030644 [PA(16:0/18:1)] 1-hexadecanoyl-2-(11Z-octadecenoyl)-sn-glycero-3-phosphate 3.764778552 C00416 674.4883633 UDP-N-acetyl-D-galactosamine 15.02476517 C00203 607.0814622 N-Acetyl-L-glutamate 13.98006933 C00624 189.0638445 D-Xylonolactone 14.98659802 C02266 148.037248 N-Acetyl-D-glucosamine 6-phosphate 14.74545603 C00357 301.0564553 3-Phospho-D-glycerate 16.92552588 C00197 185.9929137 [PI(18:0/20:4)] 1-octadecanoyl-2-(5Z,8Z,11Z,14Z-eicosatetraenoyl)-sn-glycero-3-phospho-(1''-myo-inositol) 7.033408102 886.5576976 1-18:2-2-18:2-monogalactosyldiacylglycerol 4.125499002 794.5558624 D-Sorbitol 13.88479601 C00794 182.0790366 nonulose 9-phosphate 16.71267885 350.061599 ancymidol 4.667314648 256.1210626 D-Mannitol 1-phosphate 15.09394134 C00644 262.0453746 3-beta-D-Galactosyl-sn-glycerol 13.63922946 C05401 254.1001907 PI(36:4) 3.762728782 858.5263607 sn-glycero-3-Phosphoethanolamine 15.53382821 C01233 215.0559862 LysoPA(16:0) 4.626395978 C00416 410.2432384 PS(18:0/18:1(9Z)) 7.399503635 789.552031 (Z)-4-Hydroxyphenylacetaldehyde-oxime 4.805824622 151.06329 Cholesterolsulfate 3.726472042 466.3119547 [PS(18:1)] 1-(9Z-octadecenoyl)-sn-glycero-3-phosphoserine 4.270700555 523.2911302 Psychosine 4.635026752 C01747 461.3357664 UDP-glucose 16.19710795 C00029 566.0550032 Taurine 14.72495747 C00245 125.0147053 PA(18:1(9Z)/0:0) 4.625628732 C00416 436.2586986 PG(40:5) 3.639846283 824.556521 D-Gluconic acid 13.28445969 C00257 196.0583322 PI(34:2) 3.758848472 834.5255405 D-Ribose 5-phosphate 15.26595059 C00117 230.0192097 5-Acetyl-2,4-dimethyloxazole 7.917932592 139.0633901 CMP-2-aminoethylphosphonate 15.21264704 C05673 430.0653905 Phosphoenolpyruvate 17.42132183 C00074 167.9824134 2-Dehydro-3-deoxy-D-gluconate 11.82359137 C00198 178.0477602 [SP (16:0)] N-(hexadecanoyl)-sphing-4-enine 4.168534852 C00195 537.5121845 Histidinyl-Asparagine 12.6700395 269.1125875 PI(36:2) 3.775141217 862.5573539 D-Glucuronate 14.34620729 C00191 194.0426273 L-Aspartate 14.83784403 C00049 133.037557 N-Acetyl-D-glucosaminate 12.31346473 C01133 237.0849639 4-Amino-4-deoxychorismate 12.72283564 C11355 225.0637206 Phenolsulfonphthalein 7.893033047 C12600 354.0562513 [PI(16:0)] 1-hexadecanoyl-sn-glycero-3-phospho-(1''-myo-inositol) 4.403589787 572.2962884 Imidazole-4-acetaldehyde 12.1575691 C05130 110.0480882 ADP-ribose 14.70239781 C00301 559.0719496 N-Succinyl-L-glutamate 13.95283335 C05931 247.069182 Kinobscurinone 11.95585671 C12391 306.0523399 gamma-L-Glutamyl-D-alanine 14.28871159 C03738 218.0901879 Ala-Gly-Tyr 8.176662653 309.132724 Val-Pro 8.776439638 C01909 214.1317724 PG(36:1) 3.698908095 776.5556317 L-beta-aspartyl-L-serine 15.60361513 220.0695123 2-Oxoglutaramate 10.31851349 C00940 145.0375112 PG(40:6) 3.633615485 822.5417048 PE(36:1) 6.836008968 745.561702 Melibiitol 15.53812099 C05399 344.1317319 melibionate 15.13532228 358.1116984 2-Deoxy-2,3-dehydro-N-acetylneuraminic acid 12.22674482 C04521 291.095454 7-Methyl-3-oxooctanoyl-CoA 17.3152475 C03685 921.2157801 Sanguinarine 12.81399199 C06162 331.0846926 2,3-Bisphospho-D-glycerate 23.04413798 C01159 265.9593415 LysoPE(20:4) 4.56701611 501.2858843 Glycochenodeoxycholate 4.645715312 C05466 449.3146821 Ser-Ser-Ser 14.92033418 279.1066277 [FA (22:5)] 7Z,10Z,13Z,16Z,19Z-docosapentaenoic acid 3.88165763 C16513 330.2563305 2-Hydroxy-1,3-dimethoxy-8,9-methylenedioxycoumestan 7.894615813 356.0534136 4-Hydroxyphenylacetylglycine 7.892346227 C05596 209.0691406 PI(36:3) 3.768206563 860.5410153 Fumarate 15.74267794 C00122 116.0110398 D-Fructose 16.92385178 C00221 180.0634383 Citrate 18.12249252 C00158 192.0270436 PIP(36:1) 7.932867615 C00626 472.269671 6-Phospho-D-gluconate 17.04480302 C00345 276.0248935 Asp-Gln 11.48875989 261.0960931 D-Sedoheptulose 7-phosphate 16.11698755 C05382 290.0403805 3-Oxopropanoate 14.28467435 C00022 88.01589635 N-Acetylmethionine 4.833328648 C02712 191.0616598 FA(16:0) 3.939735815 C00249 256.240196 Sulfate 17.74427365 C00059 97.96732662 Maleamate 16.25264522 C01596 115.0270547 Sinalbin 14.65015368 C08426 424.0373054 PS(18:0) 4.24925663 525.3065743 [FA trihydroxy(4:0)] 2,3,4-trihydroxy-butanoic acid 12.09773959 C01620 136.0373555 Asp-Ser-Tyr-Tyr 14.84330927 546.1958924 PG(38:6) 3.633200628 794.5100505 N-Amidino-L-glutamate 14.61089508 C03140 189.0747547 HEPES 10.45931471 238.0985659 (S)-Lactate 9.360985022 C00186 90.03155882 [FA (18:3)] 9Z,12Z,15Z-octadecatrienoic acid 3.932445127 C06427 278.2246741 (S)-Malate 15.90230651 C00149 134.0216121 2-C-Methyl-D-erythritol 4-phosphate 14.28226746 C11434 216.0400674 FA (19:1) 3.894629993 296.2712538 UDP-glucuronate 18.86518683 C00167 580.0345394 D-Xylonate 13.22999213 C00502 166.0475975 LysoPE(22:5) 4.48885685 527.3010553 Icosatrienoic acid 3.927070978 C16522 306.2562294 D-Glycerate 11.53914004 C00258 106.026656 PG(36:5) 3.638880252 768.4944133 [FA (18:1)] 9Z-octadecenoic acid 3.9029311 C00712 282.2559268 Cyclic 2,3-bisphospho-D-glycerate 19.99988878 C06189 247.9486953 LysoPE(20:5) 4.610253668 499.2700778 Orotate(Fragment) 10.04618195 C00106 112.0273566 N-Acetyl-D-mannosaminolactone 13.72683547 C01118 219.0742831 D-4''-Phosphopantothenate 15.08837955 C03492 299.077004 Glycyl-Serine 14.3188142 162.0638228 LysoPE(18:0) 7.899079803 C04230 481.3165727 Succinyladenosine 14.39599578 383.1073208 Ile-His-Val 7.90907282 367.2218682 Gln-Met-Met-Thr 14.83823947 509.1986436 Benzyl sulfate 5.01066698 C06678 188.0143073 FA (20:4) 3.936056675 C00219 304.24051 PG(36:2) 3.68836868 774.5409396 (S)-Dihydroorotate 10.85798594 C00337 158.0327615 2-amino-3,7-dideoxy-D-threo-hept-6-ulosonate 11.94959002 191.0793971 octulose 8-phosphate 16.39493334 320.0509061 Phaeantharine 13.60625004 C09608 631.2814467 PG(33:1) 3.667958332 734.5111818 Asn-Met-Thr-Asp 10.90176778 479.1680314 L-Cysteate 15.39743851 C00506 169.0047098 D-Erythrose 10.58770541 C01796 120.0423147 PG(36:4) 3.643889872 770.5098483 [PG (18:0)] 1-octadecanoyl-sn-glycero-3-phospho-(1'-sn-glycerol) 3.91010516 512.3113163 Sulfoacetaldehyde 10.96913191 C00593 123.9830947 Sambutoxin 7.900000493 453.2873592 AMCC 8.468576422 C11490 220.0513462 PG(34:2) 3.682570968 746.5101177 PG(36:3) 3.639327155 772.5252681 1-Sinapoyl-D-glucose 13.80970415 C01175 386.1219068 PG(34:1) 3.704950507 748.5251529 4-oxo-4-(3-pyridyl)-butanoate 8.081468758 179.0581779 1-Deoxy-D-altro-heptulose 7-phosphate 14.73969195 C04359 274.0454117 PG(34:3) 3.660475912 744.4940428 L-Cysteine 16.10185093 C00097 121.019735 LysoPE(18:2) 7.898609092 477.2853892 [PG (18:1)] 1-(9E-octadecenoyl)-sn-glycero-3-phospho-(1'-sn-glycerol) 3.931330872 510.2958559 LysoPE(18:3) 4.627867102 475.2704178 1-thio-beta-D-glucose 8.354976078 196.0405829 Icosadienoic acid 3.891145062 C16525 308.2714686 2-16:0-lysoPG 3.957937342 484.2802961 Arg-Cys-Cys-Tyr 14.7614277 543.1928281