Metabolite_name RefMet_name DMSO_1 DMSO_2 DMSO_3 DMSO_4 KAE609_20x_1 KAE609_20x_2 KAE609_20x_3 KAE609_5x_1 KAE609_5x_2 KAE609_5x_3 WJM992_1 WJM992_2 WJM992_3
Factors - Sample source:Plasmodium cells | Treatment:DMSO Sample source:Plasmodium cells | Treatment:DMSO Sample source:Plasmodium cells | Treatment:DMSO Sample source:Plasmodium cells | Treatment:DMSO Sample source:Plasmodium cells | Treatment:KAE609_20x_IC50 Sample source:Plasmodium cells | Treatment:KAE609_20x_IC50 Sample source:Plasmodium cells | Treatment:KAE609_20x_IC50 Sample source:Plasmodium cells | Treatment:KAE609_5x_IC50 Sample source:Plasmodium cells | Treatment:KAE609_5x_IC50 Sample source:Plasmodium cells | Treatment:KAE609_5x_IC50 Sample source:Plasmodium cells | Treatment:WJM992 Sample source:Plasmodium cells | Treatment:WJM992 Sample source:Plasmodium cells | Treatment:WJM992
11-nitro-1-undecene 1175459.5000 1372027.6250 864555.3750 1250049.7500 298531.0313 1215775.8750 1023747.5000 812904.5000 469376.8125 3034671.5000 1582814.8750 284015.1563 1419610.6250
"1_2_3-Tris(1-ethoxyethoxy)propane" 579625 445108.8750 551969.8750 929072.6250 385370.0938 755298.2500 565394.6875 698039.8125 615627.5000 569927 592073.4375 348549.2813 1037638.7500
"1_2-Dihydroxy-3-keto-5-methylthiopentene" 1,2-Dihydroxy-3-keto-5-methylthiopentene 939570.6250 861089.0625 816377 836366 365765.3125 347714.9375 358628.7188 619729.3750 730178.6875 687643 394751.4375 325141.0625 398439.7188
1(2H)-Isoquinolinone 546041.8125 602639.5000 575818.0625 551157.6250 447087.1563 401903.2188 373735.9063 624359.7500 529878.1250 551292.1250 383715.7813 331827.5000 358810.1250
"(1_3-diphenylpropoxy)sulfonic acid" 76033.6719 72689.8828 67420.3438 93748.9375 82466.4531 56980.0195 74054.8828 73015.3516 69350.0781 52843.1445 61257.1172 64768.0039 57267.4844
1-5-diazabicyclononane 166831.4844 173931.9063 174280.4531 171642.9219 269812.2813 286203.1250 329333.3438 255425.8594 201643.4063 250309.7656 203945.7813 230097.7500 225513.2344
15(R)-hydroperoxy-EPE 4890293760 4915420672 4932133888 4787749376 5187171840 4845262848 4878119424 4804192256 4882835456 4745851904 4726807040 4884974080 4917665280
"16-bromo-hexadecadien-5_13-diynoic acid" 786159.7500 722883.8750 547344.6250 727581.8750 351089.8438 377289.2188 323879.5625 519114.8125 431319.8438 511723.1875 317999.8438 291832.4688 352402.0625
16-dimethylarsinoyl-hexadecenoic acid 230765.1719 260308.0469 288342.9375 295745.2500 154583.4844 173558.5313 163809.5000 287210.3750 220794.3281 213933.1875 122860.9141 121295.2891 166555.8281
17-AAG 239021.4844 229732.7969 161431.3906 188360.8906 295387.0313 288179.4063 230024.0313 273570.3438 200887.4219 249328.3125 314288.2813 263705.0625 238981.6563
1-Caffeoyl-4-deoxyquinic acid 2644485.7500 3175151 2537372 2291277.2500 1705950.1250 1744127.2500 1534862.3750 1758079 2240706.7500 1793854.8750 1573438.6250 1672398.6250 1429967.5000
1-dimethylarsinoyl-decane 152660.9063 156126.0625 128025.9063 151844.2344 44634.8203 43145.3672 59323.9180 114821.5859 74793.1875 107241.0625 47096.9805 60985.1211 68861.6172
1-(hexadecanoyl)-2-(8-[3]-ladderane-octanyl)-sn-glycerol 5778866.5000 4798220 5382910.5000 4587436 2624055.7500 2853796.5000 2243439.7500 3579256.5000 2959431.2500 3663992.7500 2590505 2909951.2500 2673073.2500
1H-Indole-3-acetamide 1H-Indole-3-acetamide 2023010.7500 1459660.5000 1965841.7500 1975527.3750 4039156.7500 4115419.2500 6640576.5000 1102985.1250 2272769.7500 1343572.6250 3560858 1930317.7500 1569795.7500
1-Methylhistidine 1-Methylhistidine 845701.1250 988079.8125 948566.5625 925463.2500 604238.2500 512474.4688 565090.1250 705294 753196.7500 819106.5000 482548 608886.6250 604763.9375
1-O-alpha-D-glucopyranosyl-(2-tetradecanoyloxy)-eicosane 949486.7500 942424.5000 861647.0625 730975.3750 1055629.2500 977735 1034117.2500 835225.3750 678852.6875 1267544.2500 1499430.1250 1185527.6250 989917.9375
1-octyl-2-octyl-sn-glycero-3-phosphocholine 580493.3125 543487.3125 628773.5625 741884.6875 594411.6875 691242.7500 628449.6875 781087.4375 441364.7813 790715.8125 645291.5000 730818.4375 673269.3125
1-Pyrroline-5-carboxylic acid 1-Pyrroline-5-carboxylic acid 370381.0938 361905.4063 443453.9063 423134.7188 379876.3750 433277.1875 455949.9375 375259.9063 475852.1875 372433.5938 367746.1563 426745.9375 431720.0625
20-hydroxy-prefusarin 104628.4453 118382.2344 109038.3047 98516.0078 68841.9609 49874.6992 41570.7539 106765.3281 81759.8203 107780.3359 54901.8281 34870.0391 46059.8906
2-{[1-(R)-Carboxyethyl]amino}pentanoate 293746.7813 244633.4375 391282.6875 275605.0313 263418.0625 278539.3438 303152.2500 264864.4688 261434.2500 255067.5469 302584.0313 259828.4219 254284.8906
"2_3-Butanediol glucoside" 700566.9375 373878.5938 735759.6875 618774.6250 540806.6875 715868.8750 342067.5000 3759 494213.0313 481946.0625 1756693.7500
"2-{[(4-methoxybenzyl)(methyl)amino]methyl}-2-methylpropane-1_3-diol" 112032.6875 106378.3125 93704.9141 91592.6094 81735.8906 65744.4766 60499.3359 99797.2812 88246.5781 78423.2031 74036.0781 65267.0273 64679.9766
2-acetamidoglucal 261836.3906 307672.1875 271482.2813 276964.6563 329225.3125 291152.1563 292408.3750 301522.8438 251780.4063 274623.4375 348512 305174.3750 333909.4063
"2-Acetyl-1_5_6_7-tetrahydro-6-hydroxy-7-(hydroxymethyl)-4H-azepine-4-one" 2412735 1694165.8750 2228910.2500 2114089.2500 1710230.6250 1709103 2086407.3750 1943673.6250 1796408.2500 1895804.1250 1727863.6250 1664133.7500 1772445.8750
2-acetyl-1-alkyl-sn-glycero-3-phosphocholine 579915.0625 558843.3125 627782.8125 635802.5000 1119726.6250 1098945.8750 1336996.5000 903703.8750 818939.6875 883318.0625 1085717.7500 1294110.2500 1002418.8130
2-Amino-3-(1-pyrazolyl)propanoic acid 3-(Pyrazol-1-yl)-L-alanine 1659894.2500 1353433.3750 1582415.5000 1935499.7500 521033.9688 623594 728957.6250 870764.4375 914338.3125 1061971.7500 585846.8750 559792.1250 754603.8125
2-Amino-4-[(2-hydroxy-1-oxopropyl)amino]butanoic acid 486291.5313 608394.5625 592549.5000 553564.2500 108409.8516 78848.9766 100669.4219 264478.1250 214329.9375 239189.8125 70902.4922 94592.4375 98574.9453
"2-Amino-9_10-epoxy-8-oxodecanoic acid" 2-Amino-9,10-epoxy-8-oxodecanoic acid 432380.5000 476203.1250 520242.1875 488493.5938 501739.9063 585059.1250 513029.5313 494576.6875 485715.6250 467934 499287.3750 476388.1250 472477
2-Aminoheptanoate 2-Aminoheptanoic acid 5939364.5000 6030899 6168676.5000 6848275 6149699 6364376 6089829.5000 6810663.5000 6052556 6049425.5000 5728359 6132598 5941525.5000
2-{[hydroxy(5-hydroxy-1H-indol-3-yl)methylidene]amino}acetic acid 721898.8125 741053.1250 876391.6250 789639.7500 420205.8125 353521.0625 506246.4688 411972.1563 497166.1875 537438.5000 397092.5625 447793.8750 512291.8750
2-Hydroxycaproic acid 2-Hydroxyhexanoic acid 1273206.3750 759132.2500 1108782.1250 1010110.5000 865537.2500 778498.6250 1211297.2500 876164.4375 2127431.5000 879914.4375 1098684 620181.5000 2019960.5000
2-Keto-6-acetamidocaproate 2-Keto-6-acetamidocaproic acid 167819.3281 195561.5625 97783.3594 157344.1094 128531.9063 83020.3359 169714.0313 125604.2266 183454.4844 182316.1250 85152.8438 82657.8359 156133.5469
2-methyladenine ribotide phosphate 1070585.8750 910820.3750 1016327 1027995.6880 368635.6875 475595.6563 379103.5938 736055.0625 662619 641886.0625 400229.5625 415788.3750 386372.7500
2-Methylbutyroylcarnitine CAR 4:0;2Me 480942.7188 355484.2813 452117.5313 383135.8125 363020.1563 335691.1250 431022.3125 376787.3750 276330.4688 431315.2188 409109.8125 353696.9375 429391.0313
2-methylphosphinoyl-2-hydroxyacetate 2712950528 2602710528 2544703232 2568904704 2722177280 2478832384 2687141376 3135224320 2849532416 2893402880 2814757888 2546664960 2627673344
"2-N_6-N-Bis(2_3-dihydroxy-N-benzoyl)-L-serine" N2,N6-bis(2,3-Dihydroxybenzoyl)-L-lysine 1617147 1903895.7500 1932267 1619219 2060584.6250 1895364.3750 1615227.6250 1565593.6250 1624499.8750 1981288.2500 1641934.3750 1776585.7500 1598855.3750
2-nitro-1-propanol 402282.6250 394736.4375 364325.3125 343785.7188 181776.9219 111179.3438 105272.8281 237948.8438 189767.8594 189370.6719 73102.3594 64520.6797 165000.6094
2-Nitropropane 426358 520948.7500 389796.1875 396058.2500 348022.6250 327210.2500 417615.9375 278494.3438 445546.5000 372645.7500 323760.8125 259764.3281 331074.7813
2-(N-Methyl-perfluorooctane sulfanamido) acetic acid 121985.5156 103080.4063 94229.9531 94869.9375 41436.5977 51759.2930 56602.7852 3759 55655.6016 48856.1250
2-Nonenoic acid 837765.8750 821621.0625 586536.2500 668713.5625 1028353.3750 678104.0625 449321.4063 664461.0625 830963.0625 705863.3750 529035.2500 714638.3750 395947
2-O-methyl cyclic 3-deoxy-D-arabino-heptulosonate 7-phosphate 32811.4727 33374.2305 26980.2070 40927.1680 23830.3809 26679.3691 27972.0039 27250.4316 26075.7422
2-Oxoarginine 2-Oxoarginine 507674.8750 527068.7500 594650.1250 562259 275980.1875 322969.2813 346025.5625 412809.9688 381149.2813 385823.5938 300800.1563 323820.9688 332955.9063
2-Pyrrolidinone 2-Pyrrolidinone 28279772 25642774 24768210 28537114 34351028 34887704 36609752 25012996 24781762 26027386 28081066 25436676 30477010
"(2R*_3R*)-1_2_3-Butanetriol" 1,2,3-Butanetriol 206706.6094 314528.9063 299267.8438 252659.9219 296344.1250 273387.7813 224911.1719 203060.2031 362827.3125 191143.8750 270217 136761.2188 270484.8750
"(2R_4S)-2_4-Diaminopentanoate" 3631140 3274235.2500 3631323.2500 3033218 3574223 3086604.7500 3143824.7500 3739266 2865788.5000 3319431.2500 3740485.2500 2866562.2500 3107482
"3-(3_4-Dihydroxyphenyl)lactic acid" 131344.6875 115922.3906 146545.5625 90333.2656 82398.5625 84999.7812 89683.1953 108894.1328 81105.1562 104408.4922 106038.1797 96649.2812 92472.0859
"3_4_5-trihydroxy-6-({17-hydroxy-11_18-dimethoxy-13-oxo-6_8_20-trioxapentacyclo[10.8.0.0_.0_.0_]icosa-1(12)_2(9)_4_10_14_16_18-heptaen-15-yl}oxy)oxane-2-carboxylic acid" 158354.4063 211586.9688 134725.2813 172726.8594 84004.1797 85353.9062 101082.9844 178803.1563 155641.7031 128354.6563 95190.5000 88189.7578 101758.6563
"3^_4^_5^-Trimethoxycinnamyl alcohol acetate" 68689.9375 110905.2109 60132.7734 106026.6797 187556.0938 160087.9844 282132.1250 115473.4922 123030.7656 143344.8125 181970.8750 163339.1250 89553.5234
"3_4-dichloro-tridecanoic acid" 1271056.3750 1180245.5000 1178208.3750 1127771.3750 618777 547803.0625 327894.5625 1018771.2500 802057.2500 768724.3125 643689.1250 610911.8125 572239.3750
"3_4-dihydroxybenzoate-spermidine" 89206.8047 98928.6328 101381.6719 109626.7656 106387.4375 116328.0078 106888.4844 97181.9062 134245.8594 119550.2422 101911.4219 107882.2813 107289.1016
"3_4-Dihydroxymandelic acid" 3,4-Dihydroxymandelic acid 206494.6406 155260.8125 113888.6250 241003.6250 248087.4844 345107.2813 83602.5156 140346.4219 201378.6406 186862.0313 172079.9375
3^-amino-3^-deoxyadenosine 281490.3125 407457.9375 320690.6563 294082 128517.7891 180589.0781 150277.8906 411499.2813 323579.7813 412479.6563 153295.9531 149314.1563 111670.0781
(3-Arylcarbonyl)-alanine 1967612.5000 1723332.2500 1741015.8750 1654495.7500 1213564.5000 1519504.6250 1004995.1250 1497994.5000 1557120.7500 1853638 1438763 1836727.8750 1505722.1250
3-Cyanomethyl-3-hydroxy-1H-indol-2(3H)-one 243318.2031 233512.1094 219362.5625 718461.1875 788017.9375 858177.0625 163323.8906 593862.8125 218582.1875 616229.6250 251280.6250 360560.4688
3-(Cystein-S-yl)acetaminophen 3-(Cystein-S-yl)acetaminophen 1667806.3750 1730889.1250 2013757.8750 2064032.2500 693359.9375 789789.1875 840495.4375 1781911.7500 1607239.5000 1764076.8750 656166.5000 650835.9375 784031.7500
3-Deoxyvitamin D3 3-Deoxyvitamin D3 725582.2500 609522.3750 799923.5625 748501.0625 875014.3750 938488.0625 915586.7500 812917.6875 642711.0625 686544.5000 981030.1250 792841.3125 873627.3125
3-Indoleacetaldoxime 359875.2188 345776.1250 331128.8750 325399.3125 653243.8750 556691.9375 1099653.5000 252082.5781 413316.1875 252293.5156 579518.1250 316545.8125 263178.8125
3-Methyleneoxindole 3-Methyleneoxindole 794210.9375 849430.1250 1201266.1250 1307371.5000 1908921 2735049.5000 4246420 922808.0625 1786110.1250 768378.8125 1353794.2500 932732.5625 721946.8125
3-nitro-2-butanol 622799.5000 435735.7500 348271.5625 491120.0938 101488.8281 92931.5781 103350.7422 277540.7500 286093.1250 230994.5156 137185.5781 103808 117925.3203
3-nitro-2-pentanol 4869210.5000 5806156 5323676.5000 6339803 2775319 2401230 2784675.5000 5931901.5000 6743367.5000 7124120.5000 2586146.5000 2721212 3483207.7500
3-O-alpha-L-Arabinopyranosylproanthocyanidin A5^ 270122.8750 293318.8125 333231.2500 265074.4063 290679.3125 133995.7344 288972.1875 275870.2813 260960.2031 252557.0313 256795.8750 232012.6250 195448.8438
3-tert-Butyl-5-methylcatechol 3-tert-Butyl-5-methylcatechol 2152369.5000 2873692.2500 1869294.6250 2499172.5000 455178.7500 3279990 2548558 1871152.7500 554154.8125 9293028 5371367 408479.6875 3104218.2500
4-Acetamido-2-aminobutanoic acid 656670.2500 721249.1875 619363.7500 586329.3125 171363.0938 194085.2500 242883.0469 382202.7813 368390.5313 356637.5625 231241.6094 184011.2969 272185.4063
4-Guanidinobutanamide 4-Guanidinobutanamide 116307.8281 118198.1797 107812.0391 122547.9766 71880.6875 79591.0938 115160.5391 92603.6406 107034.2031 83428.6875 63352.5703 57822.8281 74283.7812
4-Guanidinobutanoic acid 4-Guanidinobutanoic acid 230724.7656 293951.1875 289925.3750 311633.7813 201120.8281 183321.4844 189424.8750 251208.0313 268428.8438 222883.3438 175485.6250 216521.1094 184177.2031
4-Hydroxybutyric acid 4-Hydroxybutyric acid 432382.3125 425332.2500 448533.4375 413110.5000 461398.9688 361198.6875 559177.0625 484269.8438
4-Hydroxyglucobrassicin 4-Hydroxy-3-indolylmethylglucosinolate 204799.6563 181204.0469 110377.5625 178263.5469 432468.6875 501473.7813 465054.0938 220590.7031 233563.9375 190804.6719 560196 468184.0938 600775.6875
4-Methylaminobutyrate 4-(Methylamino)butyric acid 10817292 10640563 11398907 10748247 11055301 10377949 10743594 11598509 11155629 10763502 11126603 11864812 11218949
4-Pyridoxolactone 4-Pyridoxolactone 346713.7813 186571.3438 243631.8125 239141.9375 299910.3438 263755.7500 234149.4219 244944.8906 223097.9531 198996.3281 253251.4375 185759.5000 175399.6563
4-(Trimethylammonio)but-2-enoate (E)-4-(Trimethylammonio)but-2-enoate 955641.5000 827607.7500 975573.1250 861727.6875 942874.1875 921905.2500 974160.9375 749363.8125 781868.8750 937697.9375 959632.6250 916232.3750 940537.9375
5-Amino-3-oxohexanoate 385669.1875 512205.0313 414445.7813 528391.2500 483811.7813 449678.7500 422860.7813 442327.9375 384373.8438 476743.4063 438097.4688 492722.5625 497646.4375
5-Aminopentanoic acid 5-Aminopentanoic acid 66679984 67028820 64863924 65149484 49455304 45977084 47319120 59585552 60425844 57203188 42615108 41780808 43590396
5^-Dehydroadenosine 5'-Dehydroadenosine 308589.1250 486153.7813 478120.0313 531337.7500 171226.3750 194040.6719 258435.9688 263903 319298.3750 365085.8438 144039.4375 272932.6563 224304.7969
5^-deoxyuridine 527199.5625 541080 600692.3125 644644.6250 424690.4688 321562.8750 342750.6563 473945.7500 480166.5625 464623.5625 357652.9063 411002.9375 364202
5-Hydroxy-N-formylkynurenine 5-Hydroxy-N-formylkynurenine 3185337 4530625.5000 4966286.5000 4360677 3077723.2500 3486538 3667563.2500 3756294 4559847 4815998 2399927.5000 3587003.2500 3864693.7500
5^-methoxy-6^-chloroarmillane 1903975.3750 1877445 1392532.8750 1707074 2589597.5000 2550374 2441267.5000 3009861.7500 2697764.7500 3061416.7500 2748013.5000 2387506 2589511.5000
5-Methoxytryptophan 5-Methoxytryptophan 1085915 987093.6250 950925.8125 928578.2500 364784.7500 338883.4688 291867.0938 680434.6250 548938.3125 663929.8125 295056.4375 329834.4063 320124.7500
5^-Methylthioadenosine 5'-Methylthioadenosine 36954852 44328952 49840992 55487864 20637162 22721438 25287218 44341196 46024768 51609900 19450028 21790332 22938416
5^-methylthioformycin 592850.2500 608165.5625 793147.3750 410806.6563 443628.3125 371781.7813 321674.4688 557810.2500 602519.3750 597882.0625 414753.7188 310760.8750 370092.3750
5-Nitro-2-(3-phenylpropylamino)benzoic acid NPPB 5419450 4655216 4667587.5000 5586756 3925561.2500 4181516 4448866 4551522.5000 4134651.5000 4616499 3465741.5000 3548791.7500 3933778.7500
5-Valerolactone 5-Valerolactone 328952.4063 285575.0938 281094.1563 415854.2188 218549.5156 416330.5938 295488.3438 256836.6875 272353.7188 318310.9375 325510.8750 383319.3125
"6-(2-Carboxyethyl)-7-hydroxy-2_2-dimethyl-4-chromanone glucoside" 245377.5469 284780.8125 213541.9844 272531.3750 425031.4063 310446.6563 281628.6250 414852.5938 385980.3438 355201.8438 258299.3438 268300.4688 265719.8750
"{[6-({3-[3_5-dimethoxy-4-(sulfooxy)phenyl]-11-hydroxy-7-(4-oxocyclohexa-2_5-dien-1-ylidene)-2_8-dioxatricyclo[7.3.1.0_]trideca-1(12)_3_5_9(13)_10-pentaen-4-yl}oxy)-3_4_5-trihydroxyoxan-2-yl]methyl}oxidanium" 317378.4688 391164.2188 350155.5000 290917.7813 267237.4688 188244.8594 295055.6563 362765.9375 313986.7188 386255.4375 254328.5938 247267.5781 266654.8750
"6-[5-(2-{[2-(3_4-dimethoxyphenyl)ethyl]-C-hydroxycarbonimidoyl}ethyl)-2-methoxyphenoxy]-3_4_5-trihydroxyoxane-2-carboxylic acid" 474617.4375 526106.1250 458091.7188 454793.4375 273582.8438 256182.9688 278326.4063 418190.2813 321837.7188 376759.8125 251529.5156 299304 256509.8750
"6_7-Dimethyl-8-(1-D-ribityl)lumazine" 6,7-Dimethyl-8-(1-D-ribityl)lumazine 45566080 42170720 41888140 40854192 23913786 23022736 24055978 39366228 34237148 36963044 24052240 22212638 22683288
6-Acetamido-3-aminohexanoate 573107.5625 613089.8750 561551.3125 717205.6875 525423.8750 214969.5938 231985.2969 589201.1250 514423.7188 601934.3125 555046 517987.0938 546714.6250
6-allyl-8b-Carboxy-ergoline 577429.7500 543582.9375 923142.5000 542243.1875 998156.8750 876178.8125 577632.2500 727018.5000 583727.7500 398048.7813 571915.2500 394564.2188 747657.3750
6-Amino-9H-purine-9-propanoic acid 149751.5938 165293.1250 174270.7656 126682.5781 137065.2656 140344.7656 152684.9688 161892.6719 158873.9063 148534.8750 114389.8438 132659.9531 148426.1563
6-Hydroxy-R-acenocoumarol 132676.5313 67528.9531 85819.1406 79054.6562 204122.9688 223321.8594 359573.8750 78247.1328 73144.6875 68185.0469 201434.5469 86478.3828
6-Methyltetrahydropterin 6-Methyltetrahydropterin 2189861 2477212.2500 3120315.2500 2968298 2850119.2500 2981626.5000 3023729 2916163 3250466.7500 3089430.7500 2696553.5000 3081844.7500 3643117
6-O-Methylarmillaridin 68816.5625 33695.3984 60692.6875 76181.8984 3759
"7_8-H2pterin-6-ylmethyl-l-(4-aminophenyl)-1-deoxy-5-[1-alpha -D- ribofuranosyl 5-phosphate]-D-ribitol" 1048950.8750 1085380.2500 669138 1040286.3130 1145562 1051386.3750 991224.3750 1100268.6250 860731.5000 1171209 1028522.6250 1055426 1061262
9^-Carboxy-alpha-chromanol 2468501.5000 2910488.5000 2557335 2632839.7500 1665851.7500 2926617.2500 2432413.2500 2809924.5000 3849359.5000 3063529.2500 2691526 2478896 2205152.5000
9-mercaptodethiobiotin 511232.1563 501699.8125 503825.9688 600990.7500 436782.9375 478028.9688 428762.1875 453891.9063 422871.5625 474483.4375 463513.8438 483914.3438 403318.5938
Acetylcarnitine CAR 2:0 12770909 14036910 12830521 14280840 13977111 13675474 13276150 13910610 12405904 14728497 12774373 13472794 12815604
Acetyl-CoA Acetyl-CoA 251391.8750 220779.4375 236450.0469 205694.9688 211827.7031 226132.7031 210608.7031 207835.3906 184001.3438 232562.7188 203779.9375 213024.4063 183162.3906
Acetylhomoserine 1539752.1250 1410545.7500 1691839.2500 916758.8750 655307.2500 686899.0625 759390.3125 1173793.5000 1270049.8750 1042021.4380 1165912.3750 895700.5625 809085.1250
Acetylphosphopantetheine 157332.4219 97584.8984 96327.5391 156196.2344 64583.2812 42456.3164 78708.3750 180923.9531 115181.5313 158662.7656 57102.4531 55560.5234 58249.7852
Acrimarine N 226089.0781 186231.3438 175665.0469 215052.3594 313358.2813 265500.6250 278323.3750 233452.0313 230724.5625 214356.9844 269495.8750 203538.6250 212399.7969
acyl phosphatidylglycerol (n-C12:0) 1134385.5000 1101305.1250 1052873.8750 1071888.2500 1030671.8130 1281751.3750 1033791.7500 1170609.3750 916415.5000 647648.3125 1037223.5630 1042524.3750 1012181.4380
Adenosine Adenosine 3395607.2500 3345897.5000 3135819 3234251 929726.7500 1102818.7500 909989.8750 1528952.7500 1406685.8750 1526132.8750 969042.3750 985191.8750 969651
Adenosine monophosphate AMP 76423912 65573208 67286928 71398912 5159952.5000 5206124.5000 5248224.5000 19732030 15101772 16825422 4938847 4499465 4816122
Adenosylhomocysteine S-Adenosylhomocysteine 31351334 29603746 28397540 30696214 16851830 16405163 15761808 27436448 24866776 25742812 16828132 15319953 15608758
ADP ADP 2745604.2500 2441110 2988386.7500 2495667.7500 551420.7500 507400.6563 554166.8125 1301234.5000 1114761.1250 1020018.9380 498400.2188 471082 494994.7813
Agaritinal Agaritinal 975093.5000 1142127.2500 1187363 1166298.6250 1772580.7500 1954478.8750 2016321.3750 990281.0625 1352703.2500 1224132.8750 1533516.2500 1863184.6250 1573742.6250
Ajmaline Ajmaline 3576604 5646932.5000 4857034.5000 4797794 3989901.7500 6296786 4954129.5000 4013980.2500 5673921.5000 5648022 4287965.5000 6457809.5000 6221943
AK toxin I AK toxin I 608322.3750 468248.7500 556866.0625 461969.5938 245626.6406 189395.1406 231372.5469 423943.6563 395884.9063 464614.2813 215145.2031 231855.8906 195824.0313
Ala/Ala Ala-Ala 1000403.8130 1164928.1250 1047967.8130 1184412.6250 959505.8750 985071.8750 849437 798275.1250 945648.7500 820412.4375 896929.6875 848532.7500 750271.0625
Ala/Ala/Ala/Arg 154472.6719 119844.8672 180226.4688 138291.1406 180451.3594 214384.0313 226141.7656 297679.1875 220292.2656 251147.8125 193079.8438 181221.1563 184266.3125
Ala/Ala/Ala/Asn 310362.9688 373919.3438 422002.3438 434916.1875 267321.7500 310556.7813 299585.2813 401808.9063 365533.5000 316005.7813 232548.7188 266699.5625 273171.1563
Ala/Ala/Ala/Ser 266888.6250 248200.5938 235327.9219 225899.9844 257319.1875 217470.9531 231300.7656 232925.4219 212853.9063 230504.0156 219412.3438 202446.6719 246499.7344
Ala/Ala/Asn/Gln 551914.8750 575632.3125 526512.5625 506326.0938 204683.1094 229519.8438 227048.5313 472395.7813 385926.8125 404680.8125 197455.4063 215486.9688 240005.7656
Ala/Ala/Asn/Ser 311837.8438 424557.0938 314627.9063 336855.1563 217767.6250 223649.1875 227454.7344 380956.4375 286542.0625 354257.9688 218634.4688 215425.8750 203870.1719
Ala/Ala/Asp Ala-Ala-Asp 505405.9375 497564.3125 531679.4375 553668.5625 277245.9063 358524.5938 281994.2500 387267.6875 393498.6250 379373.7188 251023.5313 300479.7813 272704.9063
Ala/Ala/Glu/Arg/Tyr 327815 308113.2188 291112.9375 286796.8438 103138.4844 135483.4531 150901.9688 250689.6250 141885.1875 208720.6406 108663.1094 131555.6719 93429.3828
Ala/Ala/Glu/Glu/His 219411.7188 239678.6875 228611.4063 205216.2500 209841.8750 201449.0781 247407.0469 244468.2969 228185.5000 254248.2656 192576.7656 227772.4063 210486.6719
Ala/Ala/Glu/Ile/Gln 490145.2813 838424.2500 522796.8438 625656.6875 447159.3125 215673.5313 481545 111861.8594
Ala/Ala/Glu/Ile/Pro 23643532 24188358 25375214 27821068 15277589 14567017 15740556 25262460 18584988 25423730 13327302 13771141 15602204
Ala/Ala/Glu/Trp/Trp 2138714.5000 1605925.8750 2197519.7500 1827657.2500 200468.7344 319673.8438 327632.1875 1167157.5000 772796 1295209.7500 341958.7813 400241.3438 397926.0938
Ala/Ala/Gly/His 2250018.7500 2220346.2500 2187713.5000 2303247 1043017.2500 1037152.1250 988011.5000 2052360.3750 1782402.7500 1895956 950052.9375 1062767 1107647.3750
Ala/Ala/His Ala-Ala-His 7288645 7497070 7136984.5000 7259132.5000 2354015 2477950.7500 2340840 5638920 4486948.5000 4716007.5000 2457526.5000 2367345.5000 2373010
Ala/Ala/Ile/Pro/Gln 621286.0625 484024.6875 570520.3125 498295.4688 250696.8438 346294.0313 333773.9688 473113.0625 304124.5000 478683.3125 356686.1563 323923.5938 296008.0313
Ala/Ala/Phe/His/Arg 626291.9375 569833.1250 606738.9375 629630.6875 192899.8906 179257.7344 216272.8750 482630.7500 352705.3750 445973.5000 190241.9219 155781.8438 153620.0625
Ala/Ala/Pro/Arg/Tyr 939019.6250 718948.8125 939842.3750 1267067.8750 1034568.3130 1252020.6250 810765.5625 1351814 1015325.6880 1232651.8750 945902.1250 869466.8750 1087260.7500
Ala/Ala/Thr Ala-Ala-Thr 313976.3750 338321.5313 348491.4063 342676.0938 79667.7656 94917.4375 128651.9219 210736.4688 166008.6250 206363.2188 114741.0859 86655.6562 85266.9531
Ala/Arg Ala-Arg 89766.5781 110633.7266 93523.9766 95663.7969 48364.4531 64133.7227 80757.9688 60679.3398 49936.4102 64009.1719 60285.4453 57611.4297 64902.1914
Ala/Arg/Val/Tyr/Tyr 2062179 2403987.2500 1879350.3750 1482914.6250 209769.4219 1024394.3130 665507.0625 975655.8750 202542.0625
Ala/Asn/Asp/Ser 998978.5000 1029487.8750 1110793.2500 1016159.1250 789637 768881.1875 704540.3750 771465.6875 636993.6250 654629.3750 1091801.6250 910955.6875 998988.6250
Ala/Asn/Pro/Pro 468653.8125 523583.0625 501117.5625 598180.4375 109564.2188 88004.4531 107699.7813 269353.2500 173186.2813 224324.2969 108410.7734 103852.2344 126828.6953
Ala/Asn/Ser Ala-Asn-Ser 68145.5547 52832.4258 49216.2695 66238.5938 47023.2578 81619.0938 47051.8555 49096.6914 47595.1484 52365.7383 46000.8359 47278.8906 66924.2500
Ala/Asn/Ser/Tyr/Tyr 168371.9844 200823.2969 187356.5313 209691 85896.3359 3759
Ala/Asp/Asp/Ile/Ile 451852.2813 430322.1875 388632.8750 408209.6875 286012.0625 327482.9375 239033.8438 392654.6250 380164.3750 334152.6250 277507.2500 373864.7813 300910
Ala/Asp/Cys Ala-Asp-Cys 1413397.6250 1638402 1600873.6250 1769787.7500 832808.4375 723113.6875 743779.9375 1304170 1160452.2500 1339872.5000 761676.8125 765732.3750 991019.1875
Ala/Asp/Gln/Gln 202792.4375 217352.4219 198529.4063 213379.2813 139413.3594 133959.4063 136764.2031 150371.8125 164030.3281 178060.6406 151969.0313 160545.1094 137800.5938
Ala/Asp/Gln/Pro 311532.1250 372291.7813 300026.9375 315690.3438 192383.7656 128076.0938 155202.6875
Ala/Asp/Gly/Arg 2725142.5000 2759170 2689704.2500 2952937.7500 554380.3750 549402.8125 661023.5625 1970280 1499205.1250 1823053.7500 622747.4375 503478.5313 513651.5938
Ala/Asp/Ile/Gln/Val 178169.7500 258166.2188 217247.0156 222362.2188 162225.0781 137531.5313 133027.3281 168700.6563 120910.2656 182904.6875 144380.1250 108187.5234 103398.7188
Ala/Asp/Ile/Pro/Thr 1816651.7500 1699141.1250 1807207 2043608.3750 904260.3125 903453.1875 941932.5625 1863177.1250 1446454.2500 1590071.6250 707468.2500 954388.2500 895833.0625
Ala/Asp/Lys/Val/Tyr 1370534.5000 1273339.3750 1286468.5000 1561449.5000 267781.0625 154478.9063 297151.5938 538980.7500 534887.3750 467357.6875 192473.7031 184575.1250 267918.1563
Ala/Asp/Met/Pro/Val 181516.2813 236197.0313 164715.6563 171480.7969 109483.0156 81907.5859 105172.1563
Ala/Asp/Met/Thr/Thr 3084857.7500 2635885.5000 2749411 2869754.7500 2031600.2500 1668207.2500 1911128.5000 2857556.2500 2387818.5000 2379209.5000 2220335 1668351.1250 1955974
Ala/Asp/Phe/Pro/Arg 410285.9688 455401.3125 354957.6875 376147.2188 296634.8125 370581.9063 272524.6875 397444.5000 301367.1875 334452.3438 320169.4688 361585.5625 290435.5938
Ala/Asp/Phe/Pro/Trp 756925.6250 609027.7500 686182.9375 707191.6250 57918.9297 46253.6016 58885.9844 317022.6250 238109.5313 263909.1250 55022.2461 53887.8281 49384.3789
Ala/Asp/Pro/His 263064.9063 322711 299854.5625 251738.2813 153349.8438 161805.1719 159589.1719
Ala/Asp/Ser Ala-Asp-Ser 198571.0156 181922.8125 156070.0156 192995.6719 118215.3125 109466.2422 77327.4141 113521.6797 106672.8203 177929.8594 107528.2422 83374.7500 112115.6406
Ala/Asp/Ser/Ser/Trp 503086.5000 553483.3750 558151.8125 496329.8125 555086.8125 582595.5000 568935.5625 641545.3750 534636.6875 685518.3750 476487.2500 447320.8125 558932.9375
Ala/Cys/Cys/Cys/Asn 1726910.7500 1796048.3750 1807099.5000 1760164 477430.1250 401967.0625 420381.6563 777909.6875 854115.2500 738097.9375 394269 382876.0625 405400.2500
Ala/Cys/His/His/Lys 404428.8438 312281.5313 295350.1563 343445.1250 209435.7500 154814.1094 141042.1563
Ala/Cys/His/Lys/Ser 311171.6250 319980.4063 288709.9688 227576.8594 41450.1484 189878.8438 173575.5625 164661.2500 43458.8867
Ala/Cys/Lys/Met/Tyr 377826.5313 156913.2969 174547.9219 205069.4219 183024.0156 268129.8750 342564.7188 235323.7656 202888.3594 294406.2188 300817.0313 166671.6719
Ala/Cys/Lys/Ser/Thr 374516.5625 270572.1250 292160.4688 278179.0938 135663.7656 128007.2109 113998.1094 225342.8594 218132.3750 225590.4531 162974.4844 175453.4219 106402.3750
Ala/Gln Ala-Gln 415478.9063 399127.3438 425214.5313 451948.4688 146193.2813 138845.6406 122252.9688 247612.2188 202510.3906 227522.2813 119977.6172 130393.5391 119807.1172
Ala/Gln/Gln/Ser 239220.6406 258541.8594 211443.5938 260575.6094 87568.1719 76806.6094 64245.4922 151456.0313 140954.6563 166571.5938 70712.6562 89087.7891
Ala/Gln/Gln/Tyr 463121.6875 334091.8750 375269.5000 383597.6563 359190.0313 227035.5000 300389.8750 308465.9688 271841.3750 331837.4063 297393.6563 225907.6094 318052.5000
Ala/Glu Ala-Glu 180488.3750 208524.7500 226468.4688 278551.8125 85943.8594 165291.4375 177007.2656 123630.0234 96430.6328
Ala/Glu/Asn/Ile 264932.5938 354333.8438 293747.0938 232988.0313 161199.1563 158569.6875 124963.4297
Ala/Glu/Ile/Lys/Thr 321911.0313 241172.2500 202411.9688 199661.1563 375206.5625 335698.6875 455739.3438 426966.3750 194883.9063 199762.5469 489424.1563 290262.9688 241917.4844
Ala/Glu/Ile/Pro/Thr 272510400 244113200 235710688 248612224 175161824 185831376 168578768 284197632 248375872 261731472 173231648 200791392 203791152
Ala/Glu/Lys/Lys/Trp 523957.5625 569058.1875 556536.1875 504840.6563 279368.5000 306195.1875 287843.0625 402391.7813 363478.1875 409665.1563 299084.1563 284444.4688 255286.1563
Ala/Glu/Lys/Lys/Tyr 760624.2500 701103.3750 470996.9063 856353.7500 576736.4375 721072.6250 585557.7500 740056.1875 633768.5625 579629.3125 562872.1250 531636.8750 564037.1250
Ala/Glu/Lys/Pro/Pro 429754.4688 480039 436352.7188 416885.9375 38377.1602 39481.3438 141782.3438 93439.1953 117113.5859 69360.8750 40173.1055 47934.3594
Ala/Glu/Met/Pro/Thr 198150.2344 218031.2031 141353.9063 145362.2813 114528.6797 141874.7813 115967.9063 159346.7969 109271.2734 203843.4844 109335.5625 163409.4219 93592.2344
Ala/His Ala-His 6567426.5000 7141714.5000 7769055.5000 6990874.5000 547523.1250 553987.7500 530957.1250 3158750 2374234.7500 2566615.7500 362911 432112.5938 378931.6563
Ala/His/Ile/Ile/Gln 2242761.2500 2226063 2118747.7500 2430653 1836719.6250 1893190 1923478 2230561.2500 1781905.8750 2022386.3750 1891333.8750 1982967.3750 1789660.7500
Ala/His/Met/Arg/Thr 296868.7813 302320.6250 283131.7500 302652.0313 400010.7500 320379.1875 357100.2500 425982.8125 396293.4063 447274.9375 374503.1563 311666.6875 323924.4688
Ala/Ile/Ala/Ile 165285.4375 165827.6406 193707.0469 176495.4219 78973.5859 78044.1328 90675.5625 134920.0313 91565.1641 119405.9531 103892.2344 70983.9531 74502.5938
Ala/Ile/Lys/Lys/Trp 1018051.9380 839911.3125 712624.2500 724232.3750 775024.8750 652720.0625 774645.6875 878316.6875 915312.5625 802432.6875 1228113.2500 771913.2500 710662.5000
Ala/Leu/Ala/Gln 199793.4844 225484.0938 197133.8750 225359.7656 132637.7344 123094.6406 144221.7188 200887.8750 168204.8906 214298.8281 129725.0547 137963.3125 133577.9688
Ala/Leu/Ala/Ser 519040.6875 474224.0313 439612.1563 424716.5625 106585.8828 138222.8125 148214.7813 356466.8125 257674 311620.8125 141976.6875 106978.4453 116114.6953
Ala/Leu/Asn/Ser 10647760 10901151 9804929 10702151 8631364 8587963 8485246 13733032 12310858 12421718 8043880.5000 7973757 8641642
Ala/Leu/Asp/Asp 754176.4375 690016.5625 1001716.7500 660009.2500 507011.4063 531890.7500 514352.1875 639497 489637.3125 723984.2500 317390.3438 407280.3125 415915.9375
Ala/Leu/Asp/Pro 564013.1250 645791.9375 625337.8125 725626.6875 431007.1563 465230.1250 384151.4688 510220.6875 648167.1875 719374.4375 420610.2500 604452.7500
Ala/Leu/Asp/Ser 390079.3125 475533.2813 483828.3125 485811.5938 211970.2656 221595.2500 184594 267311.9063 305100.1250 300597.9375 226086.5625 193258.7656 233684.2813
Ala/Leu/Cys/Gln 757915.5000 794517.1250 777960 860251.1250 130721.5781 115883.9219 116287.7266 432482.5625 403064.9688 401226.5000 120744.8984 71441.2422 95199.3047
Ala/Leu/Gly/Pro 255623.7188 323804.6250 294872.7188 305430.7188 60807.2266 125921.4375 115649.1094 81992.6484 48258.0430
Ala/Leu/Gly/Ser 1254418.2500 1255307.6250 1210523.6250 1375636.2500 604192.0625 559536.8750 577590.9375 1035190.7500 974216.4375 906095.8125 581846.2500 584725.6250 646999.8125
Ala/Leu/Lys/Pro 1625669 1607021.5000 1673731.8750 1449111.8750 1452873.3750 1532182 1623407 1760248.5000 1678967.8750 1614396.7500 1699340.8750 1491742.8750 1571544.8750
Ala/Leu/Met/Ser/Thr 3416999.2500 3526461.2500 3647294 3321983.2500 101247.2578 109512.4922 115646.1953 2077363.2500 2124794 1812193.5000 75753.4062 114149.2500 120089.2578
Ala/Leu/Ser/Ser 725483.6875 739650.4375 729664.1250 734609.0625 497982.5625 476238.4375 486339.9688 727236.5000 592281.2500 632629.3125 441628.0938 449652.1563 455731.3438
Ala/Leu/Thr/Ala 4106188.5000 4099939.2500 3868531.2500 3919283.5000 3824481 3819474.5000 3849390.7500 4209784 4247898 4236506 3900370 4223916 3880199.5000
Ala/Leu/Val/Ser 188916.2813 183670.4375 300937.0313 210027.7969 71035.7891 68716.2812 66405.6016 172387.9688 154430.6250 172429.4375 81692.7109 53660.1523 69764.6172
Ala/Lys/Ala/Ala 989755.5000 1261916 1177979.5000 1008579.3130 69666.6641 79614.5625 705463.1875 500885.4375 484947.8438 60798.7461 80608.0469
Ala/Lys/Ala/Gln 188170.7656 182309.6563 172361.0156 145537.7500 114527.8516 84866.8438 95147.5000
Ala/Lys/Asn/Arg/Ser 182828.0938 141003.1250 152806.9063 165489.2656 45973.7695 3759
Ala/Lys/Asn/Pro/Tyr 1079295.5000 1275885.7500 1041406.1250 1369776.5000 901528 954331.3125 842371.7500 1254069.6250 930966.0625 1200729.8750 925764.3125 1047916.1250 1014774.6250
Ala/Lys/Gln/Thr/Tyr 466797.2500 354512.2500 353830.9688 308822.8750 256832.3906 205827.2813 255561.8438 93659.9062
Ala/Lys/Gln/Val/Tyr 858385.3750 1096532.7500 1033142.3130 1136352.7500 784595.0625 727971.5625 737406.4375 1171290.8750 910621 1019349.1880 518010.0625 783868.4375 794090.8125
Ala/Lys/Val/Gly 954430.1875 968887.0625 959132.8125 963753.1875 404077.0625 475117.5000 465214.0313 642230.3750 612286.6875 709566.1250 455002.9688 399963.3125 459975.0625
Ala/Lys/Val/Pro 592731.6250 647698.3750 684319.0625 495801.8438 303834.7500 361802.1563 287768.2500 553420.0625 471513.5938 474973.8750 325548.9375 335482.9688 283586.9375
Ala/Met/Met/His 358139.6250 313617.0938 313935.2813 449756.8125 249777.4063 276320.9063 374914.7500 434662.4688
Ala/Met/Met/Pro 5707600.5000 5240555.5000 6152146.5000 6199891.5000 259312.4531 274621.2188 248402.2188 2719908.2500 2804038.2500 2352494 298875.9063 269697.7188 229365.3281
Ala/Met/Thr/Ser 9976535 9618695 9201621 8856089 978377.6875 1109733.2500 1001172.1250 7213421.5000 5422121 5982726.5000 884459.8125 981900.2500 930065.1875
Alanine Alanine 9042400 10016112 9215549 9857662 10254085 9512395 9540995 8957909 8904524 9477572 9722775 9196097 9518493
Ala/Phe/Ala/Ala 18190444 20932386 19221154 21059206 7541398 8918909 8046810 16332077 14764232 13892200 6913381 7584436 6630795
Ala/Phe/His/Ile/Lys 159906.1563 189023.5000 460350.6875 238705.2813 82629.5625 277063.0313 89399.4062 210666.5313
Ala/Phe/His/Pro/Arg 4153647.2500 3776786.5000 3527881 3794531.5000 2055535 1654601.1250 1910717.1250 2966740.7500 2715750.5000 3681154.2500 1543541.1250 1861864.7500 1971649.3750
Ala/Pro Ala-Pro 213947392 216884320 219991056 215164096 8537686 8943083 8694040 126692552 88943656 103265400 8379151 8239769.5000 8060213.5000
Ala/Pro/Pro Ala-Pro-Pro 410786.5313 431540.5625 323161.5000 395628.2500 60426.1641 236333.7031 104907.1172 179028.7344
Ala/Pro/Pro/Ser 389774.1250 411236.4063 329914.7188 435740.0313 196182.4219 271753.1250 201945.2188 346618.4375 230806.9844 317360.5625 164971.3750 276080.4063 215168.6250
Ala/Pro/Ser/Ser 814699.1250 764773.8750 784780.5000 744554.4375 465752.1250 411569.4063 410130.5938 623591.7500 611507.4375 716721.2500 394279.0313 456941.1250 470813.4688
Ala/Thr/Ala/Gln 818839.2500 653724.2500 588917.6250 728554.4375 232176.9219 309132.3750 262209 471383.1250 460711.9063 495402.9688 288782.5313 274186.0625 293041.4063
Ala/Thr/Ala/Pro 291591.7500 269882.8750 236407.4531 232787.7344 120540.7109 155316.6250 178869.8438 246274.2500 237227.1875 204718.9219 152261.2656 111299.8594 147355.9531
Ala/Thr/Ala/Ser 131368.8594 165264.7969 185370.2813 172875.1406 99785.9531 108138.9453 112505.8984 165826.6094 145489.5938 159387.6719 96803.8203 125534.6406 110596.9688
Ala/Thr/Trp/Arg 365715.7500 425697 380484.4688 378088.5938 189887.0469 291102.0625 223803.8281 371184.5625 310762.4063 373990.3125 198100.9375 219204.9531 232635.5625
Ala/Thr/Val/Val 197121.4375 233668.3906 272052.4063 230330.0625 105151.1328 115631.9766 155752.5469 184288.1094 167254.9375 148994.6406 137097.2188 136481.5781 138465.9375
Ala/Trp/Pro/Pro 570590.3750 558123 489407.2188 294377.5625 44616.5234 66739.4141 90556.9922 281710.3438 219276.3125 303997.5313 52900.8438 65246.7188 47536.8047
Ala/Trp/Pro/Tyr 846231.1875 581360.8750 639467.0625 716143.7500 283124.8750 296797.2188 273762.2500 590020.1250 412577.0313 446995.3750 285270.8125 271555.4375 293122.3750
Ala/Tyr Ala-Tyr 559437.0625 675797.8125 585523.5000 565402.7500 172588.5469 242669.5625 103142.0859 223857.7188 265155.2500 452025.2500 118834.3125 180534.9219 111076.5391
Ala/Val/Ala/Asn 271983.0938 276759.1250 291923.0625 295920.9688 149045.2344 138644.2656 163137.5156 321732.1250 213853.4531 234472.5469 116012.0469 142731.1875 163961.8906
Ala/Val/Asn/Pro 596565.5625 754123.5000 714750.5000 679822.1250 359568.9375 377181.3438 360629.3750 475335.5000 493343.4063 574600.6250 374436.3750 358080.5000 356847.4375
Ala/Val/Asp/Pro 251087.3125 251725.5156 295095.0313 215148.0781 137175.9063 102695.9063 152055.9375 185267.5313 216399.5625 171257.4688 154192.2656 111526.3984 122808.6719
Ala/Val/Gly/His 546534.1875 503503.2813 530649 512999.4063 385202.2813 440435.5000 441895.0625 461864.1875 462940.4375 455621.2500 458977.0938 393965.7500 406885.9688
Ala/Val/Gly/Pro 22557618 23913718 22831490 21788234 392979.4688 427090.1875 414161.5625 12774723 9311363 10127907 396745.7500 412831 392748.5313
Ala/Val/Ser/Ser 1228669.3750 1195906.3750 1297298 1329894.3750 261192.8906 227868.0469 286744.8438 806707.7500 568970.5000 672939.6250 199593.6094 251605.8750 253700.9688
Ala/Val/Val/Ser 1426220.3750 1478347.2500 1444293.2500 1402872.2500 1017691.8130 1014241.5630 1038464.7500 1365524.2500 1131992.7500 1318516.5000 1024931.6250 1114280.5000 1040393.5630
Alexine 297832.5000 302190.9063 391282.6875 314772.7813 301625.5313 295366.3125 310235.5625 289148.0313 261434.2500 292853.8750 308617.0313 295192.6875 290538.0938
Allopurinol Allopurinol 1613348.2500 1633702.8750 1476984.5000 1683460.1250 1782812.6250 1932708.2500 1799325.7500 981475.4375 910454.9375 1037789.0630 1780960 1789847.8750 1693223.2500
Allylcysteine S-Allylcysteine 238085.1406 181898.7344 279281.4063 234866.4219 100175.2188 179143.7500 372363.3438 401142.3125 314837.3750
Aloesol 7-glucoside 2321484.5000 2256324 1968508 1410988.2500 1276010.3750 1454769.5000 1100799.5000 1744725.3750 1666856.1250 1739231.1250 1318555 1127443.3750 814314.6875
"alpha-(2_6-anhydro-3-deoxy-D-arabino-heptulopyranosid)onate 7-phosphate" 188062.5469 154702.3750 162745.8594 180603.8125 81487.0547 82485.5859 56779.0430 111347.0156 89998.9375 114694.7031 79661.3438 71158.0156 72124.2188
alpha-Butyl-omega-hydroxypoly(oxyethylene) poly(oxypropylene) 427626.0313 448490.9688 451837.5313 521374.5000 476949.5000 522216.9063 510292.0625 444695.9688 463981.6875 450624.3125 446898.7500 406238.4375 446571.1250
alpha-D-desosamine 1000043.3750 1032884.5630 964180.3125 1138824.3750 1201764 1098585.3750 1210882.3750 1091520 1000997.9380 1133091.5000 1177703.2500 1009213.6880 1208070.1250
alpha-NADP+ 1303171.2500 1276509.6250 1211418.5000 1272980.1250 842617.1875 830634.5000 947616.2500 1107227.5000 890403.6250 1037757.8750 856130.5625 795999.9375 966290.1875
Aminoacetone Aminoacetone 736847.1875 652436.5625 854958.3750 1040618.7500 522437.9688 410390.4063 452467.9375 1038294.7500 1119158.1250 1146938.7500 403124.5625 689818.3750 444540.0625
Anaferine 1475949.6250 1433914.5000 1436950.5000 1575463.7500 1457956.1250 1453088.1250 1449426.7500 1396103.1250 1373501.2500 1454210.7500 1387768.6250 1468506.6250 1429711.3750
Arg/Asp/Asp/Gly 87723.3359 90971.6094 81185.6016 68007.1328 76887.2656 84783.2891 96833.2891 78688.3125 76171.9922 82566.5469 118023.9297 73621.9453 87951.6328
Arg/Asp/Gly/Ser 1944427.1250 1852795.8750 1981610 1874727.7500 532976.8125 448435.1563 506318.9375 1231440.1250 1088726.5000 1173894 497118.5000 456309.5000 479948.1875
Arginine Arginine 73930736 70385352 72299680 72165392 44209100 41856532 42621568 55764800 51210716 54921128 47332000 41674420 45323492
Arg-OEt Ethyl arginate 14538691 13404782 14240262 14539410 6582286.5000 5895690 6037066.5000 13538705 11541805 11468939 6085440 5405617 5515954.5000
Arg/Thr/Asp/Ser 108606.9766 105726.8594 88481.3516 102403.2969 120165.4141 112857.5391 107811.6484 123457.5859 147262.9375 131273.9219 105601.5859 118371.1172 123074.7891
Arg/Trp/Gln/Arg 100353.8516 63345.1016 45118.1172 44324.9336 26237.1035 3759
Arg/Tyr Arg-Tyr 652016.5000 613759.6250 573301.3125 476623.4375 72071.8984 301271.7500 215911.1406 256764.6094
Asn/Asn Asn-Asn 361355.7500 280489 259486.0625 215576.8750 194543.7813 186375.2500 187286.3594 214310.9063 261989.4531 235140.4375 191615.9063 174866.0625 208805.9375
Asn/Asn/Asp/Gly 682338.2500 625162.9375 551992.3750 672035 820919.5000 1085326.8750 789997.5625 725802.3125 776031.6875 650176.1875 798698.9375 618824.6875 790325.1875
Asn/Asn/Ser/Tyr 436762.7813 341320.6875 417168.6875 293564.8125 185624.8594 210280.7813 203480.2813
Asn/Gln/Thr/Tyr/Tyr 4266499 3460397.7500 4151191 4032734 3861366.7500 4219421 3718020.7500 4055977.7500 4486529 4015804.5000 4312700.5000 4064557.5000 4352603
Asn/Glu/Asp/Ile 188144.2656 176402.6719 169528.3594 144019.6094 131218.7969 112948.6719 125967.1875 148353.1875 134710.0156 116926.5000 112271.7188 92576.2578 97259.6328
Asn/Glu/Ile/Pro 362482.7500 331218.0938 358328.6250 293722.9688 364065.8125 316121.7813 327574.9063 410189.4375 368443.7500 333056.4688 264931.4375 344247.2500 363729.4688
Asn/Glu/Ile/Ser 161019.5938 127349.3438 138151.7188 140713.6250 98979.0156 85507 90134.8516
Asn/Glu/Ile/Tyr 190593.3594 207468.0313 213450.3281 168476.6094 45804.6602 39081.1875 131361.8594 83706.6406 90051.3594 30670.9141
Asn/Glu/Ile/Val 104465.7344 120359.6641 151700.8281 122093.5547 49343.7578 47151.3945 66086.2812 118723.9141 88780.1328 88626.3594 69561.3984 61006.3477 72803.3672
Asn/Gly/Pro Asn-Gly-Pro 434859.9375 421707.6563 384978 413585.5625 253325.2344 242952.4844 229170.5313 361422.7500 263405.2813 343508.5000 215966.7188 263243.6875 217311.9219
Asn/Gly/Pro/Pro 7855364.5000 8228044.5000 7802865.5000 8130785 235561.6094 182283.3125 385675.2188 4232312.5000 2984123.2500 3350223 260731.5000 278582.3125 215706.2031
Asn/His Asn-His 520816.4375 572104.9375 547884.6250 555782.6875 130431.9297 107786.0078 127131.7031 317042.8125 274294.5000 260980.1563 128380.1250 136761.3594 155180.7500
Asn/Leu/Gly/Pro 528257.1250 538829.6250 675747.5000 679137.4375 52185.6016 40377.7461 38989.8438 312673.7188 258693.4531 240613.9219 62084.7578 35099.5195 40940.9023
Asn/Leu/Lys/Trp 124598.8125 135184.8438 121694.5156 156583.9063 60232.4258 45942.0586 45204.2383 95580.0156 77656.5703 88499.7109 48507.4492 48668.8008 61158.0625
Asn/Leu/Met/Ser 1107730 1232843 1089416.2500 1102645.5000 105653.6563 110663.0547 84388.3438 665118.4375 583543.8125 599742.0625 70028.0938 100333.9609 93192.1484
Asn/Leu/Thr/Pro 307516.1563 309305.3438 317286.1875 299651.3125 162058.7031 143224.6875 157753.7656
Asn/Lys/Gly/Gly 746484.4375 723273.3750 791514.9375 664727.6875 490713.9688 422646.8125 464349.9063 623115.0625 721291.6250 614755.3125 443917.2188 428944.9063 406484.6875
Asn/Met/Gln/Ser 928838.0625 905054.6250 784155.9375 791477.1250 261677.9844 273957.5938 256799.0313 463383.9063 457761.6563 424261.0625 296511.1250 296648.0313 318708.0625
Asn/Met/Thr/Thr 1021098.8750 1126310.6250 1068296.6250 898192.3125 568656.2500 598693.1875 549444.8125 1174037.6250 1294915 1374051 607695.7500 393005.8125 461035.4063
Asn/Pro/Arg/Thr/Trp 623066.3125 424547.6563 391848.6563 411300.7188 323003.6250 299376.2188 282579.8125 518859.4375 314850.8438 539234.6875 402339.3438 382131.6250 453923.6250
Asn/Thr/Asp/Gly 682402.5000 593504.8750 770569.5625 770854.8125 759931 768881.1875 707014.6250 754012.3125 687609.8750 770253.2500 768978.3125 714983.0625 800088.4375
Asn/Thr/Thr/Tyr/Tyr 323158.5938 295660.4688 307547.7500 244035.3125 368214.5625 350976.7188 351348.5625 372234 380298.5938 360226.2813 390121.5938 335541.1875 308925.1875
Asn/Val/Asp/Gln 516526.5000 380805.4063 498392.5938 527707.2500 87861.3984 93323.1406 54252.9492 283570 235330.6094 242119.2813 61900.3047 73016.8047 64072.5781
Asparagine Asparagine 8917824 7165617 7404176.5000 8633504 6594570 7035087 6681106.5000 6728781.5000 6336114 6559658 6935396 6608734 7302064.5000
Asp/Asn/Asn/Asn/Ser 241962.7188 167506.2344 153715 131003.4688 126415.0078 130100.4688 106927.1484 116489.0625 123494.0469 183688.3594 120144.9141 143881.3125 113013.0547
Asp/Asp/Asp/Arg/Tyr 634383.6875 612795.0625 650864.8750 587096.0625 825659.8750 823084.4375 911246.4375 759241.7500 814323.7500 722033.0625 819599.6250 880682.6250 787269.1250
Asp/Asp/Gln/Pro 125889.1719 137628.6406 136485.2969 132074.5625 28050.7031 40426.3359 39862.5977 76024.7266 79862.5391 71574.1016 37940.5664 27380.6836 31309.3008
Asp/Asp/His/Asn/Asn 133381.4531 106146.2734 130073.0703 129211.8047 65861.0859 103190.8516 70099.1328 138297.9844 108442.6641 110461.6563 110482.1094 86938.7031 71506.3906
Asp/Asp/Ile/Lys/Pro 768090.8125 863049.1250 726771.3125 995000.6875 294863.5625 330078.8750 381094.6250 842025.4375 355945.2188 709523.4375 349464.3438 315229.1250 381415.6563
Asp/Cys/Cys/Ser S-Glutathionyl-cysteine 38494.5547 35035.5352 41159.6211 35039.2188 59115.4414 52077.3359 60371.8711 36720.6055 29120.8496 50801.2734 40298.8789 36517.3672
Asp/Gln/Arg/Val/Trp 195941.5625 202088.0156 212987.8594 229327.5781 140969.6719 129862.5625 142137.3281 194754.3125 140065.6250 183445.0469 137143.5625 140038.9688 117135.3281
Asp/Glu/Glu/Glu/Ile 332834.8125 362066 307748.2188 378894.1875 411086.0313 345204.2188 281608.0625 473934.0938 310100 436966.2500 336577.2188 348790.0938 414831.5625
Asp/Glu/Glu/Lys/Lys 2095607.8750 2823643.5000 3054831 3643494.2500 2679185.5000 3060788.5000 2601777.7500 2168320.7500 5893916 2613027.5000 2535981.7500 2313402 3216257.5000
Asp/Glu/Leu/Met/Trp 280295.3125 352471.1875 329491.1875 336967.1875 159377.2500 138180.3438 112913.2109 258474.3281 254468.9063 269503.9688 138580.2344 168729.2813 148025.6563
Asp/Glu/Lys/Met/Thr 166119.3750 130216.8203 121311.9141 134614.5156 106255.0469 90258.5859 98896.0781 171450.1719 159157.8125 162616.8750 120178.0938 112486.9063 131167.7344
Asp/Gly/Asn/Asn/Asn 755700.1250 669822 741416.5000 714902.3125 801871.1875 826513.0625 775913.8750 783421.1250 743472 807785.8750 772268 867704.6250 825732.1250
Asp/His/His/Gln/Ser 687122.5000 628637.3125 721252.8750 517067.5938 219000.3281 245084.1563 447406.0313 499244.4063 630576.1875 340508.9375
Asp/His/His/Lys/Met 198141.9375 232825.1250 214274.1719 237982.9063 103105.5000 130983.4609 133738.9844 126381.3047
Asp/His/Ser/Ser/Ser 2815038.5000 2014561.1250 2037588.2500 2597668.7500 184239.0156 180148.7656 235935.2813 1155132.8750 701426.6250 1124730.7500 205613.1250 199142.2813 266674.4375
Asp/Ile/Ile/Asn/Pro 1192634.7500 1195468 973275.1875 1172009.2500 752310.8125 671788.9375 701545.4375 1080009.1250 913810.2500 1069379.8750 657888.3125 638408.9375 676796.5625
Asp/Ile/Lys/Lys/Ser 253543.1875 233007.4844 211474.6875 241309.7656 94100.5547 108315.6172 111350.9688 230186.3906 177779.7344 210837.7813 73850.9297 80637.4922 84379.6328
Asp/Ile/Pro/Pro/Ser 1969166.8750 2769082.7500 3187175.5000 2691144.2500 2004185.2500 2324144.5000 2110189.5000 2840293.7500 2727427.7500 2914515 1718158.3750 2414572.2500 2447886
Asp/Leu/Lys/Lys 1716579.1250 1551278.3750 1521993.5000 1370362.7500 1277725.1250 1492436.6250 1407518.2500 1518751.2500 1290281.5000 1370862.7500 1703155 1293327.2500 1357311.7500
Asp/Leu/Pro/Ser 195040.7969 174068.7500 225315.9531 283759.4688 164093.1719 157711.7969 125531.3438 237145.3906 169122.2813 206685.3750 127992.5000 146046.1563 126326.3438
Asp/Lys/Lys/Pro/Tyr 1838587 2057844.5000 1771211.7500 1675917.8750 1317316.7500 1797135.5000 1642228.5000 1877982.5000 1760512.2500 1656542.3750 1289061.6250 1297999.1250 1327235.2500
Asp/Met/Cys/Cys 263111.5938 293956.7813 264654.7813 313386.5625 268297.3125 291627.8125 301297.7500 309371.8438 293634.2500 337041.5000 252383.0313 290701.3125 302473.5625
Asp/Met/Met/Arg/Tyr 89803.9453 272210.0313 96468.8438 404048.7813 455538.4688 395858.2188 157775.7500 150587.4219 197358.9219 334124.7500 284790.9063 201087.5781
Asp/Phe/Gly/Gly 1289065.7500 1200207 1296091.8750 1106265 722814.2500 751220.2500 721512.9375 1131867.5000 848375.3750 1017138.7500 718848.5625 650097.8125 697360.8125
Asp/Phe/Ile/Lys/Asn 19327262 26443916 23743560 16332244 19240902 22368992 24661076 23289374 24685860 21421730 21148274 22647534 23629618
Asp/Phe/Lys/Gln/Tyr 2869820 3429691.7500 3483762.7500 2565840.5000 2359772 3798272 4886411.5000 2955103.7500 2948516.7500 3113778.2500 4976995 2777234.2500 3624986.7500
Asp/Phe/Phe/Pro/Pro 1257173 1431732.3750 1317716.7500 1285349.7500 844484 636042.8125 647558.8125
Asp/Phe/Trp/Val 478066.2813 454119.3125 398347.3750 485096.6875 318000.4063 305700.0313 279976.1250 413426.4375 433743.0938 402225.6563 237131.2500 337967.5000 284389.4375
Asp/Pro/Pro Asp-Pro-Pro 450260.3750 361652.5313 221135.1250 364824.8438 97847.1094 148235.6563 103752.8438 207136.7656 256726.2500 200976.8281 87754.9453 109619.7109 115595.5625
Asp/Pro/Val/Asn 271432.0625 305404.5625 301361.4063 305514.1563 88998.7891 62356.1016 65203.1992
Asp/Thr/Cys/Cys 56922.8398 47891.4492 45277.2891 56648.5977 33703.4922 39145.1875 51706.0508 40982.9297 42019.9453 53471.0820 55083.7539 28809.2441
Asp/Thr/Pro/Pro 170209.5781 129774.2969 168229.0156 121358.1484 86314.6641 94363.3047 103309.1172 132709.4688 112317.7734 114745.7109 118269.9688 93016.6172 94864.7969
Asp/Val/Pro/Ser 140046832 129369608 130214856 133510256 81330536 79302640 82552232 126505840 106594696 113130424 81295544 73811888 76298768
Avenanthramide 2s 217151.1563 151181.4531 127491.0313 354663.5625 454101.1250 171905.7813 580803.1875 418634.4688 157456.9844 162309.3906 531076.5000 458101.7813 373774.6563
Avenic acid A 917908.8750 756849.9375 768361.3750 864461.5625 823298.1875 869412.6250 662433.2500 644141.2500 733473.8750 714113.6875 837396.2500 699356.8750 741674.6250
bacteriochlorophyllide a 318135.2813 178542.9375 372404.4375 342554.3438 358009.7813 3759 221830.8438 373010.7500 213100.6563 306084.5938
Balenine 320250.3125 629327.2500 346752.3125 425584.2188 171476.7031 296487.1250 200755.9219 403013.0313 226489.0781 319510.6875 252436.2813 119645.0703 289363.4063
Barbinine Barbinine 3444199.5000 5073597.5000 5448657 3034317 8938088 4467962 5244494 5137464.5000 5318757.5000 4005285 5674162 4633360 5322177
benzalkonium 8166518.5000 14288930 6815719.5000 7537734.5000 6152348.5000 4106708.7500 3638885.2500 7718551 6254059.5000 7232002 3433833 4078327.5000 4194367
Benzoic acid Benzoic acid 514888.1250 388341.1875 442860.2813 464544.4063 566273.0625 515607.5000 510177.6875 496069.1875 460747.3438 487570.9688 432263.1875 446452.0938 476160.0625
benzoyl cyanide 221621.8281 156113.4219 257794.2344 125649.2578 179558.0313
Biotin Biotin 694071.5000 711122.5000 721469.9375 549068.3125 632863.7500 630036.8750 646759.6875 599065.1250 638647.9375 603053.6250 508729.2813 519336.0938 491948.0313
Biotin amide Biotin amide 500258.7813 445045.0313 509503.7500 463220.1563 448299.2188 406700.2188 451618.9375 426966.4375 494258.4688 458140.7813 443160.5938 432355.2188 440443.3438
Bis(2-ethylhexyl)phthalate Bis(2-ethylhexyl)phthalate 1361878.8750 1779409.8750 1870191.7500 1964176.5000 1931912 1798041.5000 2097492 1693242 2406524 2370906.2500 1797082.2500 1906591.5000 1879565.1250
Brunfelsamidine Brunfelsamidine 415829.1250 305615.9688 407573.8750 405830.4375 107160.4688 109908.4219 108765.2422 222690.3281 190956.9063 273183.4688 113154.3516 96777.4453 144696.5313
Butenylcarnitine CAR 4:1 233445.5000 162950.0625 176410.1094 166026.5938 164649.5000 172567.6563 185594.6406 187821.0156 186367.1250 219943.9063 203360.7813 163148.2344 193903.6875
Butyric acid Butyric acid 1503385.6250 1399934.3750 2097414.7500 1832961.7500 1883661.8750 1883582.6250 2904450 1479334.8750 2619205 1225741.8750 1921728.8750 1133703.3750 2333287
Carbidopa 168104.4688 162193.6250 168401.6094 206766.5000 142701.4063 144783.6875 193058.7188 143873.5156 142439.8125 152029.2813 179647.7813 118305.6016 114161.9219
Carglumic acid Carglumic acid 237070.3750 224724.3594 255449.9219 273675.3750 56382.8398 74388.3125 64847.5391 166749.0156 131633.3906 146738.7813 71643.2422 72272.4609 70356.3125
Caribine Caribine 703260.9375 736266.5000 732709.8750 679623.7500 512428.3750 649888 596794.8125 985105.5625 676511.7500 503952.9375 591007.7500 735668.1875 695605.3750
Carnitine Carnitine 6824086 6754496.5000 6488868 7295512 6616299 6722228.5000 6563940 7090471.5000 6202309 6689687.5000 6257639.5000 6445635 6798447.5000
Catalposide 1291526.5000 1134749.5000 1479663.1250 1300808.8750 333464.4688 341683.9688 349566.0938 570642.1250 562943.7500 567989.5625 343668.7813 439293.1250 350529.5000
CDP CDP 139679.3594 142010.8281 123292.5859 115072.8125 88024.8203 76785.5469 81890.1797 104388.0547 78775.4922 106392.3359 60997.0898 68783.5078 52621.2148
Centarol Centarol 278817.8125 434006.6875 369684.5000 554942.5625 462743.0625 388040.2813 232953.2969 3759 1101695.3750 462497.2188 21799.0020 506303.2813
Cer(d42:2) Cer 42:2;O2 3458725.2500 3028366.2500 3222919.5000 3112346.7500 2977426.5000 3375364 3223252.7500 3426710.7500 1494314.1250 3227114.2500 3165441.2500 3297581.5000 3053915.2500
Cichorine Cichorine 600775.0625 722142.7500 532846.1875 546449.3125 542029.9375 760052.7500 550810.0625 519789.3125 600805.6875 645944.8125 649289.1875 561070.9375 696390.0625
Citicoline CDP-choline 67452592 73610000 73222920 75659432 21066124 21956540 20596530 34774536 32509202 31309776 18738814 18867278 19387880
Citrulline Citrulline 3227303.7500 2812464 2754946.2500 3491807.5000 1746211.2500 1854532.3750 1685485 1767875.6250 1581903.3750 1787312.8750 1758855.6250 1768421.7500 1810543.2500
CMP-2-aminoethylphosphonate CMPciliatine 3160313.2500 3018413 2992022.5000 3020845.7500 4653743.5000 4601719.5000 4806043 5377054 4949928 5037847.5000 4587685 4720917 4186129.2500
Codeine Codeine 226076.7813 198552.8125 206382.8438 217952.6406 537868.1875 484862.5000 595482.8125 328705.9375 267204.2813 279084.4063 540524.1875 544453.4375 441952.4688
Cohibin A 665622.3125 653729 545095.9375 623459.5000 109383.5000 235824.5469 327566.4688 195709.5781 298446.8125 165742.5469 224521.4219 114480.5313
Cohibin C 8436206 7010369 6803917 6969434 3207888.7500 3262518.2500 3001069 4831099.5000 3355633 4721143 2910356 3030974.5000 3280253
Convicine Convicine 89072.8203 84940.6250 85683.2734 79725.4453 114985.4219 89440.5547 97758.4922 95755.5469 79610.7500 77980.8125 85928.0312 81441.0938 90822.6562
Coproporphyrin I Coproporphyrin I 328107.1563 244957.7188 228006.3906 237856.1250 258394.4531 219663.1250 167139.3125 220063.8594 92821.4844 269771.9375 348561.9688 219366.7031 221514.3125
Coriandrone D 83555.2969 107808.2891 70687.2969 48800.0117 78452.7344 66687.2656 101235.0703 105753.4141 89187.8750 87171.2188 75954.1719 79850.9609 65972.3438
Creatine Creatine 214993520 233583200 219559024 222014480 240406560 230394928 227882160 224798304 221749040 225926976 225822928 225016496 231983024
CTAB 475290.5000 463591.6875 423077.5000 430257.9688 790814.1250 476298.3438 401592.8438 569500.0625 630102.6875 451155.3438 459706.8125 421791.2188 464851.5313
Cyclic AMP 3',5' cyclic AMP 391221.8750 410694.8125 372371.9063 395007.9063 135120.1563 146745.5469 140694.7656 308411.7188 263856.4063 278226.0313 151772.8125 163130.2813 141380.3750
Cyclohex-2-enone Cyclohex-2-enone 109299.6641 77215.1719 155691.8594 77715.4766 126658.8984 129644.2734 124402.8984 54574.9609 71444.6719 96832.2344 85322.2578 56321.1250 87924.8516
"cyclopropane phosphatidylethanolamine (dihexadec-9_10-cyclo-anoyl_ n-C16:0 cyclo)" 3800758.7500 3442708.5000 3581579.2500 3431759 3614832.5000 3601372.5000 3908062.5000 3854097.7500 2412574 3677466.5000 3435421.5000 3419730.2500 3157474.2500
Cys/Asn/Pro/Arg/Ser 1028291.0630 494608.5000 868634 627671.3750 620281.9375 721989.9375 512325.0625 933297.2500 717975.8125 796805.0625 703344.1875 528094.3750 615718.1875
Cys/Asp/Asp/Met/Arg 210802.2031 148109.5625 133383.1875 157543.9688 100089.2969 119378.3516 97111.5547 141709.4375 122631.5234 119176.2266 103299.7891 84960.4531 88075.3047
Cys/Asp/Glu/His/Trp 2754368.5000 1928614.8750 2031971.3750 2472300.7500 3515197.2500 3672067.7500 3464138.7500 3135663.7500 2196512.7500 3276714.7500 4104318.7500 2924979.5000 3425114
Cys/Asp/Glu/Phe/Tyr 4335231 3333467.7500 4856582 4004912.5000 4970182 5017338.5000 4564911.5000 3482767.2500 5972507.5000 4571046.5000 4899980.5000 5539801 5273459.5000
Cys/Asp/Gly/His/Pro 128971.5859 160475.9063 143884.0938 155209.1094 106418.8516 109684.9297 96933.8672 123198.3828 114832.5313 119413.9063 128994.5000 96221.5234 88777.2969
Cys/Asp/His/His/Thr 100404.4297 132080.1875 88425.2109 112845.8828 246158.1250 153846.9375 218070.5000 154518.8125 179161.3438 127283.6016 162526.3750 204093.8438 167642.3750
Cys/Asp/Lys/Met/Asn 733961.3750 485477.4063 487942.3438 551269.4375 152998.0625 166542.5313 177841.5781 443556.6875 315564.1875 343330.8125 185750.8750 137053.4688 195858.3906
Cys/Asp/Met/Arg/Trp 1456758.2500 1522333.2500 1460485.6250 1454402.7500 1894679.6250 1702456.1250 1623706.8750 1794550.1250 1793976.8750 1490667.7500 1598447 1622429.3750 1828414.6250
Cys/Asp/Phe/Pro/Pro 3519008.7500 2764033 2488406.7500 2975404 2136770.7500 2591057.7500 1887113.6250 4989292 4866886.5000 4218236 2271725.5000 1948625.2500 2447600.7500
Cys/Cys/Asp/Asp/Thr 35913.2148 37479.6484 63999.9609 70329.9297 106480.0469 3759 79878.0781 49037.3477 56679.8242
Cys/Cys/Asp/Gly/Ser 99621 93878.2266 113486.1641 79231.4453 73908.8516 78555.6172 98894.3828 70743.8125 69444.0078 58150.7148 83913.0859 58400.1875 64196.3828
Cys/Cys/Asp/His/His 190308.2031 186931.8594 184852.4219 244777.6563 173339.6875 147215.0469 102127.6094 252762.0625 136265.7500 245471.7656 107177.6484 188437.7188 196579.7500
Cys/Cys/Asp/Lys/Gln 14079622 12399459 11432647 12911621 9578624 8243507.5000 7944089.5000 12660365 11975942 11569216 10177592 8402422 8478065
Cys/Cys/Asp/Pro/Trp 1988912.5000 2510624.2500 2019862.2500 2304893.2500 3163331.5000 2601216 2419312.5000 2940443.2500 3584182.2500 2540469 3005952 2864949.2500 4141043.7500
Cys/Cys/Cys/Asp/Gly 512125 367530.6563 477788.7188 397723.6563 3759
Cys/Cys/Gly/His/Lys 412542.9063 348247.0313 235779.6719 280763.7188 259859.2188 191313.0625 216832.2656 352232.8125 280036.5938 349831.9688 193778.2656 252244.2344 216165.8750
Cys/Cys/His/His/Trp 563376.1250 1503134.8750 515582.3438 583810.7500 492179.6563 927947.0625 578220.5625 723873.7500 817316.1875 564746.6875 752250.1875 850646.1250 637435.5625
Cys/Cys/Ile/Lys/Pro 397960.9063 350792.1563 394055.1563 427872.7813 322888.2188 274267.0625 320695.7500 412980 334688.5000 313390.4063 303940.5313 322999.7500 279251.6250
Cys/Gly/Arg/Arg/Tyr 4215570.5000 4151940 3068296.5000 3584969 4626200.5000 4713986 4827710 3778899.2500 4319004.5000 3548705.7500 4935135 3645872.7500 3973843.2500
Cys/Gly/His/Asn/Arg 292927.8438 258609.6719 327812.5625 320153.3750 135696.9531 183090.7656 148130.1094 274630.5313 221234.6563 252673.9844 156780.2813 144171.6250 134004.0625
Cys/Gly/Pro Cys-Gly-Pro 1189055.3750 1148126.2500 1084740 1046660.9380 1517505.6250 1536433.5000 1766537.8750 1571668.6250 1256955.7500 1254207.6250 1543775.7500 1289489.3750 1222510.8750
Cys/His/His/Lys/Tyr 624875.2500 405582.0625 469968 482251.0938 272444.7188 281605.9063 198420.0781 348329.0625 360850.3438 364571.8438 224313.2656 293438.7813 224175.6719
Cys/His/Ile/Gln/Gln 9804835 9291781 8812810 9246916 7147273 7469009 7064430.5000 9668232 9225164 8994532 7673415 6457058 6963400.5000
Cys/His/Lys/Asn/Pro 166050.1563 122320.8281 136023.4375 141144.1563 103090.6250 71775.6328 84238.2578 118454.4219 120581.7031 142393.8281 109201.0703 97602.6172 84466.5312
Cys/His/Lys/Pro/Gln 202563.1563 198483.0625 189425.1094 172484.4844 186838.1406 168058.2656 157215.5469 227107.0313 168873.2656 181064.5313 170984 145161.2656 124652.2500
Cys/His/Lys/Tyr/Tyr 423402.1563 239437.0156 423121.2813 264729.5625 448113.0313 523485.2188 541434.4375 442089.4375 439711.6563 505864.5313 558307.8750 378983.5000 366027.8438
Cys/Lys/Arg/Thr/Trp 371931.3438 396101.1250 390802.5625 420512.1563 105927.0469 294709.1250 307369.7188 285408.8750
Cys/Lys/Asn/Arg/Tyr 140284.5156 117364.5469 122047.8203 109200.8359 120513.9063 134399.4219 125574.8828 131409.5781 127269.9844 161026.3594 132866.5781 107931.1016 155571.2188
Cys/Lys/Pro/Pro 345062.3125 365624.7500 364857.6875 278089.5938 55932.4023 62370.8594 49262.7031 105790.5078 89140.2578 108971.0547 64361.9141 64733.2305 60651.8359
Cys/Phe/Gly/Gly 365004.2500 393107.6875 404355.5313 396512.9688 601458.5000 636463 812740.1875 395830.3125 468999.5625 365856.3750 771485.3125 500111.0938 506863.3125
Cys/Phe/His/His/Asn 596411.3125 631141.3125 861025.7500 858737.8125 279430.5313 190569.3594 219410.5469 662072 385000.8438 1031461.1880 179704.5781 374910.9063 311148.9063
Cys/Phe/Pro/Arg/Arg 2404017 2514647 2785477.2500 2681807.7500 965778.6250 979747.0625 901523.7500
Cys/Phe/Trp/Trp/Trp 65218.9023 82723.0859 89968.7812 103535.3672 81078.7500 72317.7578 59451.4531 98879.1719 87138.7578 112839.0781 63980.2422 130884.8359 110154.8828
Cys/Ser/Ser/Tyr/Tyr 218435.5781 386153.3750 273843.6563 400532.5000 305821.2813 160139.1406 221859.6563 182976.4219 227110.3750 224660.9688 196918.0781 259468.0781 183897.5625
Cysteinyl-Hydroxyproline 826985.8750 738224.8125 230493.2031 776282.3750 1103406 813201.2500 1513714.6250 337507.0313 739596.5625 598353.5625 1330743.7500 702927.4375 651045.3750
Cys/Thr/Thr/Thr 243588.9219 367645.3125 386690.9063 355098.7500 82979.9375 79122.8984 89525.2188 217176.7500 218535.4531 192602.6250 86801.9375 77974.2109 93821.9375
Cys/Tyr Cys-Tyr 149751.9375 101610.7188 170658.3281 132302.5938 353404.2188 337947.6250 525381.2500 137980.9688 203467.1719 100831.4297 349318.4375 240955.0625 224126.3750
Cytidine Cytidine 1047511.3750 811989.5625 872727.8125 923497.7500 435812.8125 546369.6250 502130.0313 556452.6250 576560 612095.5000 352471.6250 254695.9688 329608.5313
Cytidine monophosphate CMP 2562265.5000 2631685.7500 2503217 2632565.7500 1246162 1274961.8750 1304594.1250 1757874 1499186.8750 1617159.2500 1248084.1250 1273042.1250 1267096.6250
Cytosine Cytosine 1180348.7500 1013582.3130 833837.1875 1093410.1250 593497.1250 618696.3750 600255.2500 749564.8750 652065.3125 839754.3750 400513.7188 385381.1250 420318.1563
dADP dADP 327322.0313 257107.5000 289791.4063 249380.8281 213558.4219 184188.9531 199894.6875 280858.9063 289530.4063 317113.3125 166128.5313 174133.9531 175026.2656
dCMP dCMP 1743939.3750 1682028.7500 1485414.3750 1613311.7500 2413917.7500 2423776.7500 2412620.2500 2740995.5000 2477553 2583782 2238946 2237987.7500 2286078.7500
Deidaclin 263576.3125 218985.9531 251293.6875 195449.2969 316904.4688 411207.8750 569362.7500 156089.6563 249414.5781 194023.7656 401825.2188 282088.5313 193920.7813
Demeclocycline Demeclocycline 328159.7813 223407.4688 245111.9375 201353.2500 336867.6875 264693.7500 242666.7500 446166.2500 459180.3125 408039.4063 399636.6875 257535.9688 285075.5313
Demecolcine 479880.2813 265735.1250 331708.3750 292179.4375 360052.8125 379600.0313 480185.3438 390392.2813 307111.3438 331578.0625 371484.4688 306841.4375 331964.6875
Demethoxyfumitremorgin C 1119800 1016950.6880 999296.1250 1024651.0630 882760.5000 1265568.8750 873681.5625 1313634.8750 1337349.1250 1137879.3750 1115142.3750 1203151.7500 1291690
Demethylated antipyrine 315150.4375 424783.5000 465978.1250 417682.3125 482986.7500 491478.3750 636747 400000.0625 405824.3750 413945.7500 271874.2813 323281.6563 310598.5938
Deoxyadenosine Deoxyadenosine 223932.2344 240489.3281 214764.8594 252140.2656 142377.3281 120016.0781 131612.7188 185469.0781 208279.7344 205451.3438 146564.5469 142914.8125 124279.5703
Deoxyadenosine monophosphate dAMP 7750822 6330331.5000 6033016 7101404.5000 1605591.1250 1628600.3750 1500797 5243766 4406335 5030924.5000 1291423.8750 1289549.6250 1474885
Deoxycytidine Deoxycytidine 3073797.5000 3035624.2500 3291660 2956095 640225.9375 640423.4375 522521.2188 1579860.5000 1324799.5000 1276795.5000 521391.9688 497964.2188 544914.6875
DG(39:0) DG 39:0 599419.2500 596454.5000 510175.1875 348322.7188 461070.7188 817252.5000 572992.6875 674209.5625 685233.8125 892043.9375 836187 502148.4688 875484.5625
diamide 165883.2813 214889.1406 219233.9063 263533.0938 147232.8906 135813.6406 188906.0469 169229.4063 168994.5313 172057.8906 159736.2188 122097.4297 146416.8906
Dieporeticenin 1033280.4380 846247.8125 998846.6875 909876.6875 442758.4375 315898.6250 306653.5000 477213.6563 505750.3438 544053.9375 280992.6250 392699.8438 437156
Diethanolamine Diethanolamine 403283.5313 546448.5625 507117.2188 426814.0938 617987.2500 650775.5000 827201.6250 528275.3750 393264.5313 797072.8125 532519.8125 401086.1563 713225.6250
Dihydrothymine Dihydrothymine 1564504.2500 1625482.8750 1918550.5000 1672777.3750 1889301.5000 1909892 2269851 1717396.3750 1717373.1250 1469688.1250 1617513.3750 1434705.6250 1721657.7500
dioctylamine Dioctylamine 2547456.7500 2166440 2061952.8750 2353234.5000 1758739.6250 2422684 2085811.1250 2669047.7500 1991698.2500 2502223.2500 2122789.5000 2085255.5000 1826436
DL-2-Aminooctanoic acid 2-Aminocaprylic acid 3353886.5000 3673202.2500 3435646 3787292 3887773.2500 3694734.5000 3402764.2500 3658177.5000 3584708.5000 3510171.2500 3480385 3805457.2500 3741940
dodecyltrimethylammonium 184705.9375 187362.6094 228551.7344 230236.9219 224275.1406 188143.5625 206543.5469 191564.1719 182680.9688 200837.4688 177570.6094 200883.0313 208938.2813
Dopa DOPA 15288662 12038945 13810474 13084196 14414035 13599701 13142707 11525967 13861862 11922765 14071157 13625014 12805977
Dopachrome Dopachrome 465657.1563 710028.9375 799713.0625 853106.3125 780835.6875 932702.0625 935183 684951.0625 932215.4375 1094402.7500 544710.2500 871440.3125 1020607.4380
"dTDP-3_4-dioxo-2_6-dideoxy-D-glucose" 338940.4063 462108.3438 387345.0625 408755.0625 245597.5156 259149.6250 247972.9219 319425.9375 272898.7188 292905.2813 210611.7813 270782.3750 241035.7969
Enigmol 2172404 2013667.8750 2071571.1250 2341759 1606618.5000 1917545.2500 1646226 2206841.2500 1038558.8750 2203803.7500 1650866.3750 1850738.8750 1856298.8750
Epinephrine Epinephrine 324179.6563 442242.6875 430153.2188 631282.0625 220542.4375 136211.7344 361985.0938 233692.7031 236287.0781 380396.9375 226290.4844 271099.1563 286938.4063
Ergothioneine Ergothioneine 1119085.8750 1877166.8750 1258807.8750 1411855.5000 998130.3125 690277.0625 450626.5313 1645904.6250 1421757.1250 1567383.7500 901499.5625 1258377.6250 1543249.6250
"erythro-(2R_3R)-dihydroxybutylamide" 1219591.5000 1184942.6250 957492.2500 1275046.3750 946660.8750 1057757.8750 832272.7500 1079292.7500 1147575.2500 1016122.8750 1050465.7500 929041.9375 748857.3750
Erythrose 4-phosphate Erythrose 4-phosphate 52236.0508 86280.8359 115000.2813 90749.1875 67779.7344 100070.0469 138918.4063 95704.3359
Ethyl -3-hydroxybutyrate 5232273.5000 3319845.5000 3499324 3380043.2500 2077996.6250 4049386 5062394 2658438.7500 5629636 5373700.5000 4466206 1537807.5000 7263757.5000
Ethyl beta-D-glucopyranoside 574848.0625 411461.2500 501654.7500 647164.4375 353016.5313 486758.6875 435439.9688 347204.1875 505002.8750 409045.9063 439609.0625 337773.8750 712503.7500
Ethyl carbamate Ethyl carbamate 1791785.3750 1665178.7500 1454450.3750 1634655.6250 278719.6250 299893.5625 281652.8438 974136 788469 842559.6875 293690.9688 278260.5625 293152.8125
Eucaglobulin 359083.6563 363900.1563 413946.6563 406059.7500 348136.7500 409302.5000 349981.4375 392310.0625 346827.4063 418539.2500 360502.6250 343902.9063 381845.3750
Fabianine Fabianine 423230.7500 398341.0625 461036.7813 474153.1250 421668.7813 392711.3438 431143.9688 479951.8750 422813.0625 438585.7500 445180.3438 441692.4063 429458.2188
FAD FAD 289448.8438 326356.7813 260046.5469 257330.1406 157931.5781 153920.8125 208265.5938 187066.9063 200534.9531 174527.8750 194397.1094 143054.0625 145780.7344
Fasoracetam Fasoracetam 323317.4375 440551.7500 376837.1875 412225.7188 378624.0938 473476.5938 1018091.1250 332887.3438 382741.0313 515117.0938 529936.5000 405895.2188 630593
FeHM 2160426.5000 2458714.7500 2401782.7500 2473122.2500 2242496 1635699.7500 1041367.0630 3106177 1885226.6250 3212696.5000 1195449.3750 2346389 2681769.2500
Fenugreekine 265883552 252078656 250883392 237021088 171405696 164176816 164694576 220574928 215185296 209631744 165563648 154947408 163190416
flutolanil 384846.0938 333832.5000 204742.2813 1437714.8750 1357200.6250 3293905.2500 598864 296106.7813 2108883.5000 872086.1250 556565.7500
Folic acid Folic acid 79093.3125 96762.2031 86472.7109 84973.9922 82953.2266 65534.5234 78265.3750 73522.2812 72187.5859 86307.3203 72836.6562 77427.2578 96524.2578
formylaminopyrimidine 1035253 660283.8125 1190406.7500 764930.8125 410171.9688 414915.5938 559356.2500 408659.7813 672297.6875 624524.3750 380425.3438 402113.7813 441090.9375
fumiquinazoline F-indoline-3^-ol 474113.5313 478735.1875 496114.5313 651966.3125 645165.8750 590603.4375 570161.5625 534705.1875 602212.5625 699089.8750 645588.7500 632368.8750 590624.3750
Galactose 1-phosphate Galactose 1-phosphate 72303.5312 66365.1172 68950.8672 59586.8359 46942.1836 75322.7656 83627.5078 44114.9414 54171.1172 57049.7891 52381.0586 65081.4922 71417.5547
gamma-Aminobutyric acid gamma-Aminobutyric acid 100823208 93858976 91136416 105775960 124807384 125167632 136730384 93056648 93090496 98023296 100821336 94122136 114781672
Gamma-Butyrolactone gamma-Butyrolactone 294023.0625 358639.6563 228827.2500 251358.4219 257832.4688 351994.9375 387874.3438 266101.3438 295162.7188 367145.4063 327746.5313 246096.3906 345204.2813
gamma-Glutamylcysteine gamma-Glutamylcysteine 5716179 5587888 4833911 5709662.5000 9659336 10326289 8796892 6160671 5816640 6263061 9758772 8705673 9947921
gamma-glutamyl-isopropylamide 333310.7188 236479.4375 345757.6250 306120.5000 281073.6563 267335.7813 268802.9063 324169.6250 241562.5313 285649.6250 240664.1719 279110.5625 298303.5625
gamma-glutamyl-L-alaninol 65886.3516 72391.0781 70861.6406 89708.5625 48146.5391 45481.2188 34857.5547 69704.4453 47596.7812 66926.9141 55688.4844 49188.5352 49274.3867
gamma-Glutamylleucine gamma-Glutamylleucine 514772.7188 610121.5625 598022.8125 580396.6875 561878.5625 458235.1875 483846.2813 592713.5000 546917.8125 659757.7500 560555.1250 524867.4375 534826.6875
Gamma-glutamyl-L-putrescine gamma-Glutamylputrescine 46365.0859 44920.9180 44906.7109 56171.1953 46895.3242 50284.8906 65502.5977 51630.7148 44801.1133 40650.6836 73073.5859 58307.0664 47736.8125
Gamma-Glutamyl-Se-methylselenocysteine gamma-Glutamyl-Se-methylselenocysteine 297677.4063 335887.5313 277400.7813 247470.8594 85351.0391 84792.5703 88283.3125 194861.9375 180370.6875 163206.3594 80358.2188 87149.9219 106491.6953
Gln/Gln/Gln/Gln 921831.8750 780540.2500 808464.5625 716821.5625 404337.5000 288165.0313 308421.0625
Gln/Gly/Pro/Pro 256641.0938 291491.9688 288511.7813 263268.9375 123149.4453 94207.9453 124515.0859
Gln/Leu/Thr/Gln 1592019.5000 1503981.1250 1518975.3750 1509090.8750 698500.8125 642692 740124.0625 1192804 1106233.5000 1165566.1250 995133.5000 906866.1250 1006136.7500
Gln/Trp/Pro/Tyr 519117.9375 553841.9375 546321.5625 582629.6875 238096.2188 276788.2813 273207.7500 491666.9063 429933.0938 447329.0625 271408.1563 273500.5625 290989.7813
Glu/Ala/Gln/Pro 166836.5156 167508.3438 137798.4219 170628.7656 92754.2266 41594.7891 55452.5938
Glu/Arg/Arg/Arg/Tyr 827941 624628.5000 652789.6875 353803.2500 1621250.2500 1439901.8750 1534334.5000 991127.1875 768566.1250 865045.4375 1689640.1250 1317587.7500 1342126.7500
Glu/Cys/Cys Glu-Cys-Cys 340397.8750 229139.8438 287092.2188 266815.2500 380616.0625 308225.8125 284478.3125 283568.5313 302524.4063 244416.8125 312082.9063 325745.3125 331865.2188
Glu/Cys/Thr Glu-Cys-Thr 709123.9375 538613.2500 571568.3750 620461.4375 327363.0938 341177.5938 383968.9375 522237.5313 409138.7188 458585.4688 314782.5000 402980.2188 329699.5938
Glu/Gln Glu-Gln 417928.8750 425486.4063 369040.8750 385595.4375 290668.2500 226714.4844 294856.7188
Glu/Glu/Gln/Ile 229994.4375 264828.0313 243875.8125 203402.5156 147225.1250 157412.7813 141486.8906
Glu/Glu/Gln/Leu 236637.7344 236297.3438 246750.6406 251518.2031 141075.2031 197263.4844 154768.0781 219380.1719 174220.2188 177404.0625 134352.5000 179254.1406 146778.1406
Glu/Glu/Glu/Ile/Met 438334.0625 442132.2500 399049.3750 362911.1250 96887.4609 92349.6250 92442.6016 239423.9375 201229.9531 203184.5469 48512.1602 50215.3398 74948.3672
Glu/Glu/Glu/Lys/Trp 313354.4063 360187.0625 336602.0938 276564.4063 139978.2969 143471.3438 150654.4375
Glu/Glu/Lys/Pro 903168.4375 1018904.1250 825229.9375 992721.3750 169661.7188 142814.3594 195126.1094 647793.8750 496153.6250 499226.5313 120664.3125 138921 142684.0313
Glu/Glu/Met/Ser 321904.0313 271313.9375 289533.0938 305528.9063 156025.2656 128851.1250 129600.5000
Glu/Glu/Phe/Phe/Arg 364866.0938 347105 310985.1250 287096.1250 176154.4375 161007.5000 139956.7656
Glu/Glu/Pro/Pro 124006.8828 97489.9297 117891.5469 98224.6953 30709.5840 71946.6562 57309.4766 67181.7109 42012.2031 39218.2891 45162.7969
Glu/Gly Glu-Gly 66619.7031 73676.5078 91006.8203 84360.5547 37843.4102 45038.4648 61639.7422 68102.4219 67204.8594 30391.7461 31714.1836 35216.4336
Glu/His Glu-His 1689128.1250 1329899.2500 1781972.8750 1816489.8750 774730.3750 890530 791495.6875
Glu/Ile/Gln/Gln 234048.7969 274044.7188 286673.7188 266986.8438 67688.5234 3759
Glu/Ile/Gln/Thr 7216753 7403603.5000 6387442 6766161 4558343 4735698 4935113.5000 6167686.5000 6060257.5000 5690483 4473211.5000 4315194 4458811
Glu/Ile/Ile/Gln/Trp 606333.6250 538010.9375 472364.1250 577987.3750 3759 326908.0625
Glu/Ile/Lys/Pro/Arg 294928.1250 265114 293304.3750 231185.5781 66342.3906 61117.2656 59907.7266 314006.1250 218709.2344 263799.3125 61287.9023 45922.1992 57907.3555
Glu/Ile/Pro/Pro 1137448.3750 1227049.8750 1124011.7500 1162992.5000 307488.4688 299267.3750 347536.6563 923395.1250 975745.3750 777001.5000 313890.0313 286734.0625 263419.3125
Glu/Lys Glu-Lys 3750430.7500 4085631.5000 3872891.5000 4222320.5000 1337834.6250 1337622.6250 1232007.2500 2515924.5000 1955834.2500 2190398.7500 1122195.1250 1311220.8750 1457711.8750
Glu/Lys/Lys/Gln/Tyr 439749.2500 428753.5313 540406.7500 566553 315726.5000 316112.3125 288452.8750 469448.8438 342266.5625 367906.6563 283963.4063 307925.8438 330274.8438
Glu/Lys/Pro/Gln/Tyr 543426.5625 603820.8125 614113.8750 335777.4688 794940.6875 945250.8125 590012.3125 860439.4375 772301.6250 697356.4375 750171.8750 700878.6875 901294.5000
Glu/Met/Phe Glu-Met-Phe 1225244.8750 967053.6875 1834130.2500 2584479.7500 808503.3750 1111877.5000 547258.5625 723851.8750 1078111.7500 1389820.8750 731469.3750 683240.3750 580994.5000
Glu/Met/Thr Glu-Met-Thr 250961.9688 251320.0156 235209.4531 194737.8125 184903.7188 215113.9531 188159.7500 190463.3438 199830.9375 188155.9688 233809.5625 234804.0781 195888.4688
Glu/Phe/Lys/Gln/Val 1245279.6250 1219986.3750 1041403 1109703.3750 838837.1250 790141.3125 1299960 1495203 962162.8125 1096393 976717.1875 925838.4375 802377.1875
Glu/Pro/Glu Glu-Pro-Glu 643466.8125 656634 623458.5625 603572.9375 55639.4961 68792.4688 46500.2266 331830.7813 308322.3750 323862.0625 52227.9531 39797.2734 58302.1211
Glu/Pro/Pro Glu-Pro-Pro 1535081.3750 1628501.3750 1619006.2500 1537413.8750 1424236.1250 1232842.6250 1302385 1314509.3750 1184286.2500 1117711.1250 1356994.3750 1206850.3750 1202042.1250
Glu/Pro/Val Glu-Pro-Val 183593.3438 189817 178949.1094 215849.2969 62795.0039 166111.8438 175473.4844 180891.2969 57487.8477
Glu/Ser/Thr Glu-Ser-Thr 249981.3125 207808.8594 193683.0469 239032.0781 175789.5469 197753.0156 161417.5000 224974.1094 188260.2813 231258.3125 182837.9688 173575.8906 169123.5000
Glutamine Glutamine 237932496 227426352 227467536 215894768 284443200 264690496 277231072 240224544 225145024 228327888 271954528 246007200 271442368
Glutathione Glutathione 199932272 239699968 222976096 232858512 112058608 104838488 96027456 189230816 164448688 181707568 104967144 113418520 123713920
Glu/Trp/Trp/Cys 496751.9375 1035796.6880 1254067.1250 305092.8750 170770.7031 1256853.8750 535586.6250 564566.7500 306829.1875 522891.4688 372672.6875 1022331.9380 480839.0313
Glycerophosphocholine sn-Glycero-3-phosphocholine 174196128 173564624 165346704 173674256 254777488 246955984 244858832 326149344 317055072 314249440 265598176 238955424 249627680
Gly/His Gly-His 14075606 13931653 13757788 15732167 14947993 14461639 14471962 14436506 14062368 13976699 14583014 14397669 14996213
Gly/Leu Gly-Leu 3752532 4346317 4481572 3914693 265551.7500 261963.8906 308591.6875 1926642.8750 1477967.6250 1736182.6250 285479.0938 273274.5000 319444.5313
Gly/Pro Gly-Pro 1905319 2115561.2500 1976429 1783943.7500 751111.6875 649807 667793.4375 1819064.7500 1336819 1422813.7500 722725.6875 689639.8125 690646.3750
Gly/Pro/Arg Gly-Pro-Arg 236727.6250 226264.4531 204027.7656 216227.3750 93140.0703 197166.8594 139475.9531 153360.9375
Gly/Pro/Pro Gly-Pro-Pro 2769080.5000 2784161.5000 2862662 2775660.7500 297483.7188 239005.7656 315595.3438 1342414.3750 1235123 1212756.6250 249651.2813 287762.3750 238501.2500
Gly/Ser/His Gly-Ser-His 347320.4688 331829.9688 333682.5000 289760.8125 264010.9688 271463.6875 274268.7813 345115 291568.1250 318824.6563 258419.9844 257339.8438 217812.1094
Guanine Guanine 2712397.2500 3367460.2500 3478011.2500 3118183.2500 1521898.1250 1657731.5000 1599453.6250 4791028.5000 3760998 4236503.5000 1638905.1250 1680999 2015671.6250
Guanosine Guanosine 442415.8750 557860.2500 589354.6250 570122.3750 139975.2344 126902.6484 155397.6094 700848.8750 530998.6250 675702.8125 109484.4844 121247.3359 145984.2500
Guanosine diphosphate GDP 72630.6016 63623.5859 69118.6484 64440.6055 46607.1055 44296.5273 39811.9727 59836.4062 45819.0273 57679.8711 42336.1406 41296.8672 36182.8398
Guanosine monophosphate GMP 225657.3594 243328.4375 243013.4688 233355.3906 85721.7656 50475.9805 77408.2812 32979.1797 32327.1797
Heliamine Heliamine 5350807 5787340.5000 5601009.5000 5838632 5841183.5000 5722776.5000 5493510.5000 5661926.5000 5917637.5000 5678782.5000 5789052.5000 5738569 5475141.5000
Heterophyllin 66330.6094 149712.7031 78227.9609 89699.8047 55283.9023 79814.0781 73254.8906 95791.8438 97356.0938 104074.3281 78669.3516 115907.5859 118995.8281
Hexaethylene glycol Hexaethylene glycol 19648836 10401225 12216719 10723380 407436.7188 10095336 5063877.5000 1949582.1250 1639329.7500 75634864 25995162 661784.6250 18126978
hexenedioylcarnitine 196812.5781 215647.3125 146471.2344 159496.6406 219355.1094 187221.4375 161828.2656 155716.8750 160704.3906 170044.4219 170963.7813 174019.5469 174472.4844
Hexylamine Hexylamine 364938.1563 304901.0313 301148.9688 311153.4063 471911.3750 401386.1563 371617.6563 354613.2500 300331.3438 392406.8750 425042.9063 420299.0625 408313
His/His/Asn/Trp/Trp 596871.1875 332482.6875 366023.8125 382929.4063 1203490.6250 890062.7500 1072914.8750 668978.3750 643151.1250 521846 1185218.7500 828390.2500 766729.5000
His/His/His/Lys/Gln 443886.5938 458494.7188 379965.5000 492516.3125 129218.9063 160633.9844 137667.1563 443183.0313 328721.1875 366886.6875 147516.7344 135022.1719 146272.0781
His/His/His/Lys/Tyr 215017.6406 222691.0313 176023.6094 180524.5469 119446.8750 115836.0078 115723.4844 180457.7188 96802.3594 160051.9531 127481.9609 102421.6250 105503.8984
His/His/Lys/Met/Val 1751038.5000 1804983.3750 1932630.8750 1609536.6250 705387.9375 536031.6875 617018.9375
His/Ile/Met/Arg/Thr 294042.8750 302113.5000 302671 269868.3125 297487.7500 328956.3438 309979.6250 319213.5313 252607.3281 311116.2188 314292.0313 261132.6563 258429.3594
His/Ile/Met/Met/Thr 280009.3125 339504.4375 297505.8438 294284.0938 187841.3906 160576.1719 149649.0938
His/Ile/Met/Met/Trp 156990 240833.9375 271605.2188 233984.9375 40238.0078 44338.6992 52033.4297 149054.7500 139091.7813 159235.7188 38383.5312 55386.1641 48209.4922
His/Ile/Met/Pro/Arg 899929.7500 939050.8125 844390.8750 766466.1875 684992.5625 604389.8750 504620.3125 863224.7500 957155.5625 944766.5000 560863.5625 706083.0625 633633.9375
His/Leu/Lys/Pro 534398.1250 674281.6250 603859.7500 539953.4375 304280.8750 337982.0938 342907.8750 560380.8750 436012.3438 439977.8750 287937.6250 300889.3438 240414.4063
His/Lys/Trp/Ser 807980.6250 834283.1875 990075.9375 835573.5000 292467.1875 298343.6563 399741.6563 670331.2500 611050.1250 665933.3125 261229.6719 316934.0625 280458.4063
His/Phe His-Phe 289201.7500 357420.5625 346172 367432.1875 55414.3281 112248.9063 122168.3203 141350.2656 50414.3984
Histidine Histidine 2993591.5000 3185254.5000 3440197 4693575 878764.1250 1195515.5000 1482200.8750 1493671.5000 2003753.8750 2298782.5000 913749.6875 1212593.2500 1882154.3750
Histidine trimethylbetaine Hercynine 9072493 8950183 8685820 8717865 8582828 8890834 9189387 9210604 8238135 9746346 8494006 10058853 8956978
His/Val/Asp His-Val-Asp 200795.4375 188108.6094 157781.7188 171034.0156 95108.4062 105806.9219 93603.1016 166691.0156 146698.3594 127832.9531 95894.7578 101901.0859 82434.4531
His/Val/Asp/Asp 2880249.7500 2879028 2706121 2750278 96221.1172 92723.5312 122793.3984 1299850.6250 1163531.5000 1356731.2500 84840.5859 89307.5625 111217.1406
Homoglutathione Homoglutathione 3728030.7500 3731482 3603741.2500 3793656.5000 3667050.5000 3733164.5000 3542964.7500 3998739.2500 3565011.7500 4060063 3941338.5000 3619293.2500 3993825.5000
Homo-L-arginine Homoarginine 622277.7500 708341.2500 635813.3750 655588.6875 132645.5938 124467.2969 137308.9844 421329.2188 356081.1875 406990.2813 113152.0938 121482.7109 119530.6016
hydroxyisovaleroyl carnitine CAR 4:0;OH,Me 2354114.5000 2446258.2500 2405792.7500 2574459.5000 2409283 2532474.2500 2689575.7500 2675199 2354033.2500 2506577.5000 2519436.7500 2394294.7500 2410401.7500
Hydroxyprolyl-Proline 336280.7813 403432.7500 356354.7188 352672.1563 172225.9219 196210.8438 152135.5469 268696.5625 222154.0156 247639.6719 195276.9531 152261.0781 159390.8438
Hypoxanthine Hypoxanthine 91242560 87795272 87236288 84131544 88145808 92135096 89808208 93821952 99400816 86258936 95589720 87962736 94589504
Ile/Ala Ile-Ala 23338772 27607786 28468712 28150550 816896.0625 930808.6250 795272.2500 11815135 9773822 10506097 1184201.1250 1107937.7500 1004359.8130
Ile/Ala/Gly Ile-Ala-Gly 193623.3125 178307.9531 141321.8438 176945.3438 82422.9766 113953.4375 75630.7109 125322.8984 97283.8516
Ile/Arg Ile-Arg 298998.4063 362196.7500 373327.5000 338683.2500 127447.9688 128807.2500 87569.1328 231473.3125 146225.8438 201603.0938 124301.5078 129473.5156 108086.5859
Ile/Asn Ile-Asn 1553892.8750 1658102 1603612 1531975.5000 136237.2656 132868.0313 128497.9844 693892.5000 509088.8125 535195.8750 136251.0313 134091.4531 144441.1563
Ile/Cys/Phe Ile-Cys-Phe 565753.8125 766756.7500 628009.6250 735694.1875 1081424.1250 1126682.8750 1083166 812357.4375 1141693.5000 798864.0625 1098061.5000 1062670.2500 1115882.6250
Ile/Cys/Tyr Ile-Cys-Tyr 129054.7969 158657.2656 144296.2656 215918.0469 397524.4063 314419.1875 293438.6875 215333.1563 244651 201587.7344 345805.7500 239311.2188 311210.5313
Ile/Gly/His Ile-Gly-His 1401850.6250 1368386.7500 1234178.5000 1175565.1250 721506.3125 793561.5625 737429.6250 1068159.3750 1129303.8750 1105735.5000 839593 850219.0625 729983.3750
Ile/Gly/Met Ile-Gly-Met 251716.2500 251585.2969 225828.5781 139883.9688 65472.4492 91023.2422 3759 109742.9531
Ile/Gly/Phe Ile-Gly-Phe 131131.5313 156246.7344 144921.5469 129475.3281 87320.7969 81763.6172 74413.2969 139882.9844 94122.5391 124485.1406 92439.8906 110958.7734 87931.6016
Ile/Gly/Pro Ile-Gly-Pro 221291.0781 249580.8438 262596.5625 252291.5938 95281.8516 82515.1250 85949.9453 186013.1406 151770.7656 163956.4844 101168.1250 91142.4844 65435.6953
Ile/Gly/Val Ile-Gly-Val 703003.0625 763836.6250 842417.5625 926638.9375 133635.3438 97699.4766 558150.6875 436954.2813 446803.2500 184604.3594
Ile/His/Ser Ile-His-Ser 332235.7188 299843.8125 308621.4375 390855.6250 175678.4219 165019.5469 141697.3750 191427.5469 194222.1250 205530.2969 175368.6406 140844.0938 146211.9844
Ile/His/Val Ile-His-Val 17524540 20545610 18918614 20411310 10343398 9651385 9399704 17308972 16348684 17875674 8251473.5000 10720984 10241530
Ile/Lys Ile-Lys 403467.5938 402716.6250 386904.2813 416863.7188 154299.5625 192748.9375 125427.3516 248119.9688 207540.9063 240827.9844 180690.0469 113890.3281 153960.9844
Ile/Lys/Met/Met/Tyr 327147.2813 451301.1563 238261.8750 285919.4688 293029.5938 366174.8750 321469.4688 375129.3750 245868.8750 271416.8438 266262.7188
Ile/Lys/Pro Ile-Lys-Pro 46057700 50584992 49296052 46695564 46952484 44078868 44040576 53616856 48351452 51239792 43706076 43738556 44666380
Ile/Lys/Ser Ile-Lys-Ser 157685.1250 159428.5625 158559.8438 162757.8125 151674.7031 152362.2188 130740.2969 124025.3125 143265.3125 149644.7188 136705.7344 163790.7188 139131.0469
Ile/Met/Ser/Thr/Tyr 259164.0156 323491.9688 325542.1250 282194.7188 147078.4063 131181.1563 139839.2344
Ile/Met/Ser/Tyr 806884.5625 1034336.4380 850619.0625 835746.2500 42673.8516 65862.2656 57855.8750 476312.0313 462330.2188 452849.4063 37321.8633 49725.3008 48111.6406
Ile/Met/Thr/Ser 855168.0625 753667.6875 908874 886431.3750 392787.4063 494918.1250 330659.0313 646570.1875 452991.0313 620829.5000 265032.5938 308778.6563 404929.7500
Ile/Phe/Thr/Pro 303600.1875 196360.9375 117515.2578 101479.9063 118225.2813 61994.8711 51862.1445
Ile/Pro Ile-Pro 2410296 2527141.2500 2622716.2500 2643750.5000 2766085.5000 2597107.5000 2710138.2500 2670750 2428568.2500 2842920.5000 3005954.7500 2583224.2500 2681197.7500
Ile/Pro/Pro Ile-Pro-Pro 368856.6875 303373.0313 307525.4063 559215.8125 81137.0391 112838.2031 117743.3906 143713.4844 175889.2656 140638.6875 76585.6484 152911.8438
Ile/Pro/Ser Ile-Pro-Ser 451269.7188 423616 400905.5625 419513.3438 120587.3125 64372.4375 129177.6484
Ile/Ser/Val Ile-Ser-Val 926432.7500 836013.5625 833189.4375 1017745.1880 423973.2500 452745.2500 466587.1563 638103.9375 602030.5000 644718.4375 513278.2500 493403.6250 486488.8125
Ile/Thr Ile-Thr 1863060.8750 2035983.6250 2006477.6250 2250529.5000 462803.1875 649476.6250 369094.3125 1072460.6250 900194.3750 1263592.3750 396041.7188 381937.4688 677514.9375
Imidazoleacetic acid Imidazoleacetic acid 161786.5781 159362.7813 206891.4844 152793.8125 151587.8750 159090.4375 122509.1016 201444.7813 159547.8906 194865.7344 160468.2656 128792.4766 125626.0156
Iminoglycine Dehydroglycine 602899.5625 561179.2500 455110.8438 525203.8125 190933.9844 260328.8750 266275.7500 396757.2188 324308.2188 385509.1563 266881.1875 276724.2188 242235.0156
Indenestrol A 183021.6563 234573.3750 163489.1875 157382.1250 207786.0781 184367.2656 241353.3125 212913.0625 163432.6094 185538.5313 264439.4063 157916.9375 189049.3281
indole-3-acetonitrile oxide 162779.3438 162945.1406 147426.6563 154907.4219 387196.6563 402842.6250 576415.3750 92443.1016 245306.7344 184025.4375 275720.3750 194211.4063 158512.9688
Inosyl-L-homocysteine 864187.9375 752464.5000 563907.1875 625773.3750 609033.4375 512352.1563 656818.3125 747665.2500 610628.1250 526921.1875 572885.7500 503622.6563 582012.8750
Isoleucine Isoleucine 25842858 24541426 25305942 23405288 24128056 23579172 27594804 22048910 24717530 26159990 17886314 18545698 19711762
Isonicotineamide 24783214 24425826 24839420 23031476 16228926 16587496 16155131 20902720 21107052 21427708 14686249 16380458 15762329
Isopentyl beta-D-glucoside 2074282.3750 1281761.5000 1798763.8750 1115748.2500 523977.8125 1750263.1250 1624145.6250 1316913 1614314 991933.3125 1274759.2500 461211.0625 4711744
Isosophoranone 203700.7500 195936.5000 199417.2656 186830.0313 175242.1875 168269.4375 206483.5000 165208.5938 184955.2813 198627.9688 184234.9063 143238.6094 163296.2656
Jasminine 337760 590098.3125 545439.3750 692753.4375 461772.8438 431306.7188 468807.0938 524930.3125 465867.4688 528628 468129.6250 366904.0625 767926.1875
Kanzonol V 297646.9063 264622 252382.8438 328835.4688 269336.4688 260436.1875 257979.0156 258727.7188 285337.3750 294899.0938 194982.0313 228238.5781 200583.8281
Labienoxime 440181.2500 504401.9688 625233.5625 455452.5313 483670.4688 501387.2813 478677.1563 483474.9063 520378.6563 501599.8750 491492.1875 492954.2500 537026
Lenticin Lenticin 16091498 17592304 17737020 17577494 15653913 16335283 16251708 18488956 16404531 17130242 15863293 16878060 16371249
Leu/Ala Leu-Ala 5166674.5000 5731417.5000 5949675 5774998 5511888.5000 5536332.5000 5660373 6119864.5000 5177780.5000 5689891.5000 5618723 5309766 5562153.5000
Leu/Asn/Gly Leu-Asn-Gly 812546.1875 821387.9375 794496.6250 780967.9375 163016.6250 139747.5938 195744.2188 574390.8125 497463.2813 469004.8438 128444.4297 132236.2188 163905.3281
Leu/Asp Leu-Asp 2191934.7500 2327218.5000 2212435.2500 2027559.3750 916400.8125 978999.6875 1005353.4380 1546185 1410362 1532792.1250 1037603.6880 943787.1875 930819.5625
Leucine Leucine 38190176 35630176 34722688 36125532 58749836 53665356 55557140 45181460 45012876 51130392 41594488 43799236 49640544
Leu/Gly/His Leu-Gly-His 351272.5938 291513 318985.8125 374323.1250 131216.7031 148094.8594 148338.1719 239358.3750 242027.8281 251877.0156 197372.6094 134877.2969 133491.6719
Leu/Gly/Pro Leu-Gly-Pro 261156.1406 330682.1563 273805.8125 247672.4531 44349.0078 52825.3594 56490.3711 244893.9375 176880.2031 198859.8438 52329.0625 88050.7812
Leu/His Leu-His 4373876.5000 5593065.5000 5350646 4596658.5000 168027.3750 199752.2188 180476.3750 2002263.6250 1771483.8750 1803697.2500 241819.5781 232489.6250 229375.8438
Leu/Leu/Pro/Ser 20521436 23161012 22596840 21900824 559045.5000 529343.0625 540322.7500 10371411 8364479 8827520 510103.5625 534802.6875 546623.8750
Leu/Met/Thr/Ser 747498.4375 755254.1250 618015.0625 729250.6250 238945.0781 143201.5000 128525.0703 497350.5938 496790.1875 386737.5625 188752.6719 122936.4297 404929.7500
Leu/Pro Leu-Pro 15586539 18240074 17467614 17482210 2985597.2500 2960742 3239462.5000 10080426 9588691 10308809 1656814.5000 1646579.2500 2970272.2500
Leu/Pro/Ser Leu-Pro-Ser 171282.5469 227875.0781 224720.5625 200895.8438 56208.9375 43080.5117 57156.3398 99671.7812 93763.8672 105731 43511.6211 54744.1602
Leu/Ser Leu-Ser 268932.9063 287627.6250 274431.8750 274400.2813 165024.4531 156624.2500 144537.2188 193243.0938 185822.2188 195909.4844 150070.7969 150303.0313 144035.9688
Leu/Ser/Tyr Leu-Ser-Tyr 1415601 1610945.8750 1699954.6250 1651513 564249.6250 527360.8750 590712.8125 1044331.5630 1007872.2500 1025001.6880 567745.9375 554938.6250 524347.7500
Licoricone Licoricone 485916.5000 479221.0313 545663.3750 652008.2500 276735.4688 335356.4063 380497.5938 342891.9688 426201.1250 506026.8750 225882.4688 268283.0625 382841.0938
Linamarin Linamarin 184223.5000 170432.3125 161786.5781 144967.9531 212366 140509.6719 167296.5156 190376.8906 182727.3750 184865.0938 137511.9375 154040.2344 158618.2500
"L_L-Cyclo(leucylprolyl)" 207977.7969 185508.5313 197632.3750 153812.2188 152957.3906 163280.9219 169024.6406 184257.7188 247450.2969 195063.6406 131656.0156 167478.4844 128831.3672
Lotaustralin Lotaustralin 12946137 14390661 13790662 14175007 13141482 13060252 14205969 14796824 13188916 13079747 12989170 12887583 13871407
LPC 259869.0156 212209.2500 192652.3750 231960.0938 151342.6406 351902.5000 202986.8750 330587.1250 222384.9063 283051.2813 210510.8594 226511.6094 193556.7969
Lupinate Lupinic acid 192360.1563 150235.6250 145878.5156 166819.2031 142718.7188 191631.6250 180334.7188 184972.7344 163702.4531 160809.9688 183170.5781 159548.2500 204565.0625
Lycoflexine Lycoflexine 1685282.8750 1834962 1736407.1250 1598852.2500 1700818.1250 1728940.6250 1705276.2500 1652120.6250 1728763.2500 1646633.5000 1679802.6250 1648495.2500 1698157.8750
Lys/Asn Lys-Asn 55699.4180 53713.3555 56885.8398 61721.0078 34413.2148 34913.3867 49298.2539 42208.6328 66114.2734 34098.4453 48838.3555
Lys/Asp/Pro Lys-Asp-Pro 154636.7500 181478.5469 158597.3906 197053.0938 148159.9844 112229.9688 126987.6875
Lys/Gly Lys-Gly 326110.5313 325152.2188 291105 283039.2500 144643.5000 127222.8516 124702.6016
Lys/Gly/His Lys-Gly-His 448523.6250 367133.5313 388793.7188 397764.4688 242692.0156 197368.4063 272402.6250
Lys/His Lys-His 1227919.7500 1130004.8750 1208466.6250 1421758.1250 132437.4531 129588.4453 140160.4844 503070.8125 391249.3438 531294.3750 129071.7031 130150.9375 148862.8125
Lysine Lysine 39523340 34213816 34923116 35483752 6473186.5000 6263894.5000 6730905.5000 19332102 16066301 17394676 6282698.5000 6104705.5000 6305512.5000
"Lysine 1_6-lactam" 4525810 4989384 4615028.5000 4815760 5047433 4074205.2500 4927412.5000 4454063.5000 4957525 5131844 4829000 5135941.5000 5297225.5000
Lys/Met/Met/Val/Tyr 195752.8906 175805.5469 209785.9219 185084.9844 73537.9844 84909.4141 105302.1094 119708.7266 106361.1641 94692.3594 100918.3594 82557.3984 77333.4688
LysoPC(14:0) LPC 14:0 205208.4531 249325.2344 192613.1406 252574.8750 118721.0781 130010.7109 167191.3125 204966.2969 138178.9844 200965.6406 135018.5313 126839.0469 123111.3906
LysoPC(16:0) LPC 16:0 2401605.7500 2743680.7500 2863455.5000 3667798.5000 3461700.7500 3446315.7500 3655542 3157516.5000 3393180.2500 3415110.2500 3283792 4051801.7500 3723662
LysoPC(18:0) LPC 18:0 1475583.1250 1865068.2500 1860372.5000 1707708.1250 3015376.5000 3402036.2500 3343002.7500 1961740.2500 2611847.7500 2267235.7500 3087517.5000 3862496 3176484.7500
LysoPC(18:1) LPC 18:1 2589613.7500 3405104.7500 3049072 3504322.5000 3137472.2500 3103562.2500 4237648.5000 2766478 3636427.5000 2938950 2828952 3237621.7500 3202315
LysoPC(18:2) LPC 18:2 1057872.7500 1097404 1002411.8750 1069902.7500 882077.5000 886425.5625 1145016.6250 826261.0625 983736.1875 1019671.1880 869033.2500 886273 1150358
LysoPC(P-16:0) LPC P-16:0 2012038.2500 2211306.5000 2452935.7500 2522762.7500 3366048 3341168.7500 3402669.5000 2795085 3327499.2500 3191668.2500 3241600.2500 3780402.7500 3541588.7500
LysoPE(14:0) LPE 14:0 138550.6719 116533.8281 122547.7188 104064.1094 139801.7813 139979.2656 164192.3281 132327.3281 162319.9375 112100.8516 98257.6953 116948.3906
LysoPE(16:0) LPE 16:0 910448.6250 1013216.8130 1000161.5630 1599090.5000 1025384.5630 1309497.1250 1441434.1250 1716881 1303047.3750 1748018.5000 1292807.5000 1226830.3750 1395236.8750
LysoPE(18:0) LPE 18:0 285289.2500 307149.8750 262188.5313 413947.7188 251583.3438 305463.8125 339132.7500 376637.9375 276420.5313 357700.5313 275557.1250 262371.3125 309826.0313
LysoPE(18:1) LPE 18:1 2730418 3658716.5000 3436249.7500 3287145.2500 3684571.7500 3375981.2500 3922926.2500 3715812.7500 4197426 3851274.2500 3358108.7500 4136192.2500 3531075.7500
LysoPE(O-18:0) LPE O-18:0 434692.9375 568293.8125 383402.4375 678572.0625 378379.3750 455736.1563 455622.5000 612389 367862.8125 706617.8750 477494.7813 462860.9063 511385.2188
LysoPI(13:0) LPI 13:0 838827.6875 892849.8750 857947.9375 737054.1250 80364.0781 104909.7266 91434.9609 400829.4375 380817.5625 318839.0938 76739.7344 39315.9766 69725.3125
LysoPS(18:2) LPS 18:2 692381.5625 582358.3750 550572.1875 455209.9063 525254.8750 532251.9375 591354.1250 594163.3750 637999.5000
Lys/Phe Lys-Phe 111329.3594 99390.5781 98357.3359 85344.5469 143883.2344 132866.1719 132479.2344 111908.2031 123224.3984 137408.5156 125986.8125 121667.4766 83061.4062
Lys/Pro Lys-Pro 19922282 20507122 20383982 18789984 856812.3750 1136231.1250 983965 10315966 7945902.5000 8194147 683933.8125 900304.4375 879275.9375
Lys/Pro/Pro Lys-Pro-Pro 548873.3125 530858.9375 500959.8750 508868.7813 128305.3594 142009.9844 115918.3984 337673.4375 253379.5313 308700.5625 131386.3906 105390.2578 139128.4844
Lys/Ser Lys-Ser 438574.9063 444905.6875 409879.9375 408387.0938 209366.9688 256681.6094 222602.7969 310198.7188 253339.1719 306656.8438 201394.9063 201865.0156 211014.3281
Lys/Thr/Ser/Tyr 1864940.8750 1636497 1472907.8750 1534385.6250 1158409.3750 1072463.6250 1199785.7500 1585437 1422075.3750 1558165 1178022.7500 1066434.2500 1157092.7500
Lys/Trp/Val/Gly 193185.3594 246476.2813 216315.0313 285491.8750 109091.2422
Lys/Tyr Lys-Tyr 912951.5000 923947.1875 897953.9375 1066225.7500 348964.9063 300197.4063 319448.4063 671134.6250 655979.3125 608614.6875 318971.1875 297988.6563 327331.7500
Lys/Val/Pro Lys-Val-Pro 184164.6719 180350.1250 240643.6094 162976.2656 121155.0391 168280.0313 135306.9531 173965.3125 152803.2188 158055.8906 140581.8281 154152.1563 166706.7344
magnesium-protoporphyrin IX 13-monomethyl ester 482460.8750 402308.6563 364051.4375 375830.4375 240917.9688 264758.6875 167241.7656 417971.1875 416661.6563 366182.3438 192578.7188 323026.2813 338028.9063
Majusculoic acid Majusculoic acid 320923.9375 246322.1563 199522.0156 233891.9688 147852.7188 129733.2266 184214.9219 155102.1406 158729.1719 192833.8906 190246.2813 122684.1406 176050.4844
manumycin B 240639.8594 292071.6250 304736.4688 362488.3750 108165.6328 102108.0156 75929.8516 224287.0469 191875.0313 197822.8750 73370.0156 90322.2891 91702.4766
Mayolene-20 432249.7500 330716.6250 456745.9063 473130.1875 156838.1563 271279.8125 194688.9531 211289.3438 136746.5156 191560.6250 223444.1563 124800.3750 151354.0781
Mercaptoethanol Mercaptoethanol 2025577.6250 1196369.2500 1910210.8750 1140630.2500 350063.6563 304044.4688 570463.2500 341762.0625 247189.8438 581378.5000 378877.8125 494377.1875 450910.1563
Mesuol 330304.7500 361039.6250 363147.3125 394992.3125 525502.5000 433782.2500 464727.6875 393008.8750 380241.2188 419613.9063 456761.9375 429693.3750 490987.5625
Met/Ala/Gly Met-Ala-Gly 739159.9375 655586.5000 574519.7500 732143.6875 610550.5000 491598.6875 608629.6250 685982.6875 506535.2813 693797.8750 535868.8125 613961.5625 595791.8125
Methionine Methionine 5923820.5000 5420492.5000 5134894.5000 4933716.5000 10214564 10069206 10560905 6668101.5000 6594656.5000 6963072.5000 7837654 7415668 8638113
Methionine sulfoxide Methionine sulfoxide 716613.9375 642731.0625 742732.5000 759461.8750 715313.2500 666587.4375 788141.5625 723007.6250 766209.4375 747035.6875 705842.5000 686946.9375 827318.1875
Methocarbamol Methocarbamol 3107492.2500 3266970.2500 2675741.7500 3197720 1495770.1250 1610663.8750 867955.9375 3046884.7500 3189134.2500 3989173.7500 1500885.5000 3261208 3046076
Methyl 2-diazoacetamidohexonate Methyl 2-diazoacetamidohexonate 561170.2500 611079 605223.3750 601705.1250 439355.3125 467553.6875 343031.4063 594367.3750 672449.6875 548659.5625 500710.7188 474420.3438 538803.1250
Met/Met/Met/Pro 248821.8594 297170.4688 196702 250009.7813 60639.0781 64503.6758
Met/Met/Thr Met-Met-Thr 304029.2500 386497.2188 387144.3750 467332.3438 94245.6328 138178.9219 196128.8125 165420.8594
Met/Phe/Asp Met-Phe-Asp 154833.7500 170755.2813 165224.3906 173644.1094 105890.8438 99398.2188 93468.0938 141220 168429.8906 157449.4844 99271.1719 116395.8750 122013.4844
Met/Ser Met-Ser 90509.6016 75928.5078 76728.0703 67501.5859 320684.5938 214928.0781 389202.0313 80525.8984 119683.4922 242378.5938 554982.4375 243153.2031 144716.8125
Met/Thr/Asp Met-Thr-Asp 190583.4375 192597.5313 266273.2500 231688.4688 207958.7344 212002.3438 177238.1719 234389.3594 218962.6563 212247.1719 216761.4688 221754.4219 215619.2969
Met/Thr/Thr/Thr/Thr 846484.8125 786590.2500 870673.5625 808023.2500 486998.6250 494147.0625 451412.0938 882880.0625 765982.8125 756028 517579.9063 530340.1875 470062.8438
Mimosine Mimosine 633417.1250 639054.9375 551660.6250 580754.3750 66335.2422 80705.2422 81457.3594 325159.5313 245064.6719 275361.3438 115430.1016 86988.8203 95438.0469
Montecristin 2951827.5000 2452946.2500 2605525 2619347 1296002.6250 1407902.7500 1312291.1250 1856297.3750 1568547.6250 1843927.5000 1360622.8750 1449077.5000 1295144.5000
Muramic acid Muramic acid 1160303.8750 1239845.2500 1296996.1250 1400756.7500 1221501 1262835.2500 1310595.8750 922859 937082 1221425.3750 1046260.7500 1220634.2500 1291793.2500
mycaminose 836373.0625 876110.7500 877382 965070.5000 924667.8750 853210 938863.1875 849014.1250 719464.5625 816187.3125 805111.4375 793213.3125 827908.1250
Myxochelin A 927751.4375 519143.3125 662232.6250 920128.6875 588617.3750 460389.1563 629747.1250 714517.0625 495698.0938 555558.5000 415930.5000 513562.3438 579197.4375
N-(1-Deoxy-1-fructosyl)leucine 684012.1250 597758.6250 768778.7500 590601.4375 534119.5625 588091.1250 541158.6875 619471 547425.6250 546182.0625 572269.5000 496104.8125 524118.7500
N-(1-Deoxy-1-fructosyl)proline 184600.3281 212103.0156 252336.9219 200747.9375 189116.1250 173122.5156 166459.5625 194075.2969 170750.6250 187165.5625 202331.3281 178025.1250 187001.2969
N-(3-oxooctanoyl)-L-homoserine 282249.9063 316296.5625 302449.3750 304285.2500 255642.3438 224376.1406 322705.2500 280517.6563 270047 286054.9375 326140 257705.1250 271321.5625
N4-Acetylaminobutanal N4-Acetylaminobutanal 6783342.5000 6691045 6601947.5000 6956732 6371026 5931262 6483485 6390924.5000 6593099.5000 5805839 6099763.5000 4175990.5000 4250493.5000
N6-Acetyl-L-lysine N6-Acetyllysine 855221.6250 972615.8750 932752.3750 845543.4375 567581.1875 547410 565630.3750 681963.4375 690059.5625 629240.8750 522033.1250 466938.6250 437099
N6-Acetyl-N6-hydroxy-L-lysine N(6)-Acetyl-N(6)-hydroxy-lysine 412622.8750 362988.4375 362237.9375 436345.7500 414530.5938 380678.7188 439296.6563 433955.2188 318665.7500 399824.0625 401836.6563 402146.1563 397636.6250
N(6)-Methyllysine N(6)-Methyllysine 412495.9375 321673.9375 319129.3438 320163.0938 203182.8281 191133.9063 164901.3125 421304.0625 263658.5313 315113.6875 210675.0938 183576.4219 174164.6406
"N6_N6_N6-Trimethyl-L-lysine" N-6-Trimethyllysine 110777576 102936848 105657280 108897000 69058744 68154648 69733368 92875704 85560360 87081128 76431264 70357736 70173920
N-a-Acetyl-L-arginine N-Acetylarginine 527937.6250 491864.9688 419469.9375 474536.9063 288554.4063 312131.9688 306305.9063 373144.5313 340910.2500 388571.8125 292633.5938 321329.0625 303495.2188
"N-Acetyl-2_3-dihydro-1H-pyrrole" 385262.1563 351133.0938 444429.7188 363369.1250 341665.6875 361235.2500 422983.5625 391763.5000 391761.7188 513570.0625 363426.6250 350533.6875 326438.6250
N-Acetyl-D-fucosamine N-Acetyl-D-fucosamine 470910.3438 428538.9375 450176.4688 480985.9688 468173.9063 501506.9063 520993.9375 490068.5313 414977.7188 471604.4375 595543.8125 495933.5938 515556.8125
N-Acetylhistidine N-Acetylhistidine 924149.8125 833618 1043384.4380 852623.8750 1014027.5000 947700.8750 1142218.1250 1037872.2500 875189.9375 1259975.2500 1012708.7500 1071108.6250 949875.8125
N-Acetylisatin 281502.7188 229319.4219 693548.8750 182021.5938 342002.1563
N-acetyl-L-2-aminoadipate(2-) N-Acetyl-2-aminoadipic acid 476426 388755.4063 219218.1406 342834.2500 300675.5625 385403.7813 291367.0313 363887.5313 336894.1250 298760.3750 462496.2813 307309.2188 273796.2813
N-Acetyllactosamine N-Acetyllactosamine 1757810.3750 1806499.8750 1720083.8750 1745112.1250 1434437.5000 1593103.6250 1584915.2500 1866221 1585526.3750 1811352.2500 1593212.3750 1549497.7500 1742396.5000
N-Acetylmannosamine N-Acetyl-mannosamine 645021.1875 737469.5625 617347.8125 648332.8750 644977.5625 552053.7500 524601.3125 650383.4375 562973.5000 680652.5000 555613.8125 515917.3125 532404
N-acetyl-O-acetylneuraminate 767034.0625 826019.3125 1213275.1250 568521.1250 1291080.2500 1213035 1004744.8130 1327173 1642186.7500 1194799.8750 1027010.1880 1188503.6250 1229968
N-Acetylputrescine N-Acetylputrescine 23724858 21650522 20407412 22214912 20564718 20944826 22856610 23454410 20357520 22566108 22079610 22339430 23472276
Nalpha-(3-hydroxy-3-methylhexanoyl)-L-glutamine 548144.1250 523132.7813 491328.3438 486568.3750 317515.1875 317601.2188 301430.4688 453925.3438 355978.5625 388873.1875 212602.3750 248821.8906 291777.9688
Nalpha-[-3-methylhex-2-enoyl]-L-glutamine 400333.5938 408982.1563 400621.9063 469513.8125 430900.0625 478326.8438 441273.4375 445708.8125 494317.3750 492476.2500 491015.7813 488789.2500 471682.7188
Nalpha-Methylhistidine N-Methylhistidine 198217.2344 164677 169639.9531 163554.3906 100387.0313 90261.2812 111370.5547 162553.6250 129221.4297 103443.5781 110206.0781 74242.2969 69765.0312
N(alpha)-t-Butoxycarbonyl-L-leucine 465601.1875 577004.6250 496006.2188 509065.8438 441456.3750 448326.5313 452136 496297 409460.7813 512237.5000 509130.4688 442998.8125 451258.2813
N-Desalkyl flurazepam 232783.5000 234996.0469 287816.2188 256681.2969 119423.2969 142159.6406 142771.6250 235147.9844 225003.7188 215020.4531 106296.4453 123692.9922 135768.2656
N-D-Glucosylarylamine N-D-Glucosylarylamine 1092510.7500 800509.6250 776867.4375 825002 502584 643340 533487.8125 821540.1875 610558.1250 707671.3125 575049.6875 636111.0625 802259.0625
N-(docosanoyl)-pentadecasphing-4-enine-1-phosphoethanolamine 15698067 21922154 16378058 14110033 24769104 18995676 18019754 26086838 21685482 25059690 26113356 17594698 18304886
N-(docosanoyl)-pentadecasphingadienine-1-phosphoethanolamine 3898346.2500 3880747 3925579.2500 3808080.5000 4589593 4666219.5000 4355484 4350184.5000 4659994.5000 4704750.5000 5032095.5000 4948298 4708749.5000
Nebrosteroid M Nebrosteroid M 1243399 1466874.8750 1330416.7500 1291501.2500 1728482 1936060 1960107.7500 1574541.8750 2075991.6250 1669582.8750 1560873.5000 1772345.3750 1580259.7500
N-(eicosanoyl)-hexadecasphing-4-enine-1-phosphoethanolamine 3509108.7500 3120795.5000 3045566.2500 3173919 3575959.7500 3512448 3523786 3536046.7500 3729559 3249948.7500 3874801.7500 3526069.7500 3631692
"Ne_Ne dimethyllysine" N(6),N(6)-Dimethyl-lysine 613907.5000 567741.6875 643591.1875 560583.5625 169917.1406 184374.5938 181462.1250 459469.0938 385302.9375 403098.4063 183334.9219 161491.8281 175800.9219
Neotussilagine Tussilagine 357063.9063 323369.0938 346341.2188 360006.3438 319053.4375 333148.2813 377317.6875 321899.3438 305597.4375 454231.9375 317763.8750 386565.2813 359708.4688
N-(hexacosenoyl)-sphinganine-1-phosphocholine 1663140.5000 1278005.8750 1346658.8750 1303503.3750 998957.3750 1256049.2500 1147459.6250 1442794.6250 560075.3750 1033857.9380 927862.3125 1143707.8750 1193041.2500
N-Hexadecanoylpyrrolidine Ethyl 2-pyrrolecarboxylate 257917.2031 229739.4844 253702.3750 232534.1406 338639.8750 314505.5625 317733.8438 321248.4688 207894.6406 306446.8125 347123.2813 350820.4688 314071.5625
N-hydroxy-L-dihomomethionine 1086516.2500 1020305.3750 1027710.8130 1008484.3130 1053254.1250 950616.7500 1018147.3130 1054385.1250 861210.5000 1081021 972922.4375 956785.3125 929803.1875
Niacinamide Niacinamide 44115272 41997368 47101876 50090408 60341308 67764448 59071164 50403864 61168488 57427564 50636668 68394384 53696932
Nicotinamide hypoxanthine dinucleotide Nicotinamide purin-6-ol-dinucleotide 6178229 5996750 5766821 5884538.5000 3888295.7500 4214509 4326372 5642500.5000 5378532.5000 5402424 4030224 4052332.5000 3896734
Nicotinic acid Nicotinic acid 1783142.6250 1752877.2500 1756669.7500 2125001.5000 2168756.7500 2311345.7500 2205918 3307578.2500 3342682 3513996.5000 2176795.2500 2030448.7500 1934613.7500
N-Methylalanine N-Methylalanine 1396691.6250 1321278.5000 1462631.7500 1490755.2500 1556393.8750 1636551.7500 1501854.1250 1645213.1250 1358843.7500 1489178.7500 1673409.2500 1504155.5000 1468171.2500
N-(tricosanoyl)-hexadecasphing-4-enine-1-phosphoethanolamine 5218220 4555993 5317524 4718320 6437120.5000 5807351 5447292 5484087.5000 3913145.7500 5111115.5000 5196313.5000 4458300 4895537
nva-FMDP 121868.9141 168854.7031 164643.2188 200433.9531 178776.9063 182295.6563 205903.6563 214524.7969 204197.9375 217030.7500 177359.6719 203562.3750 168075.6719
O-(17-carboxyheptadecanoyl)carnitine 57696.0078 55983.9258 69954.9531 57320.5586 63537.4297 102622.8828 60767.5391 106424.8125 55581.9414 67464.9609 57261.6914 73198.6016 61388.8555
Octylamine Octylamine 7442559.5000 7946160 7448509 7688840.5000 7891292.5000 7404946 7703619.5000 7979128.5000 7810217.5000 7822381 7534498 7850057 7727779.5000
Oleoylcarnitine CAR 18:1 674014.3125 633351.2500 857412.1250 739717.1250 845648.8125 879291.7500 909916.1250 704759.6875 1049804.2500 657733.3750 1010077.4380 1105822 850026.1250
O-methylandrocymbine 291956.1250 288898.7813 226749.2500 213872.8125 68015.6172 54119.3164 39993.4961 176839.7500 149820 133089.0781 72370.3047 56116.1758 55745.9688
O-Phosphoethanolamine Phosphoethanolamine 5420720.5000 5249537 5121076.5000 5187685 2965208.2500 2952112.2500 3071123.5000 3583893.5000 3298550.7500 3631610.5000 2998460.7500 2907693.2500 2847161.7500
Ophthalmic acid Ophthalmic acid 887959.4375 793900.1875 786679.6875 773345.8125 709104 683668.6875 706164.3750 700371.0625 724289.0625 670866.5625 653247.7500 724562.3750 712001.0625
O-Succinylhomoserine o-Succinylhomoserine 542495 502244.6250 518203.3750 539757.3125 151322.8438 181695.4844 186954.4844 353196.9688 304920.8125 263807.1875 177384.7969 143544.3750 154940.1875
Otonecine Otonecine 1055681 1078887.6250 1113052.5000 1063020.3750 1056405.1250 1120713.3750 1152913 1084267.2500 991985.2500 1057857 997279.6250 1027043.9380 1034169.4380
Oxidized glutathione Oxidized glutathione 1979096 1519307.6250 1535164.6250 1665986.3750 1717360 1462380.2500 2104534 1065035.7500 1223673.7500 1039024.6880 1693008 1102117.3750 1079531.2500
Palmitoylcarnitine CAR 16:0 477303.4688 404156.4375 541505.8750 526970.1250 707328.7500 876865.6250 875329.9375 659109.5625 690730.0625 645364.1875 800562.4375 709326.4375 781193.6875
Pantothenic acid Pantothenic acid 2766672.5000 2482585.5000 2356628.7500 2404315 1171863.8750 1260126 1204046.6250 1569526.1250 1568506.8750 1455355.3750 1292787.8750 1174505.5000 1178244.6250
PA-PI 895160.2500 771236.1250 952887.5000 1022399.6250 1476306.6250 1386857.7500 1155453 1631580.5000 1511566 1749779.6250 1793721.1250 1670074.6250 2308841.2500
PC(13:0) PC 13:0 626800.3125 789680.1250 861962.1250 795738.9375 1190632.1250 1243977.8750 1335923 1137287.6250 1235781.6250 1448281.1250 1047795.5000 1182551.5000 1410438.8750
PC(14:1) PC 14:1 970877.6250 1250167.5000 1192026.3750 1172167.8750 1322012.1250 1205585.2500 1282894.1250 1211363.6250 1443803.5000 1416797.8750 1326748.1250 1263988 1197629.3750
PC(14:2) PC 14:2* 305696.0313 315609.5000 328986.4375 411840.6875 252562.9531 307801.0313 270527.5000 462168.8750 246507.8750 465908.9375 304092.8750 319400.0938 310248.5313
PC(15:1) PC 15:1 711915.0625 782392.8750 699993 964683.8125 562330.7500 683413 788024.2500 840167.8750 604710.2500 761047.3750 633859.7500 643488.7500 693570.9375
PC(29:1) PC 29:1 4105373.7500 3875704 3593036.5000 3672049.7500 2686283 2505909.2500 2883705 3329268.7500 2374674 2905348.5000 2907966 2538796 2422119.7500
PC(30:0) PC 30:0 10135988 9762106 10663725 9360573 8718849 9670576 8889411 9071021 9488585 9170471 8230758.5000 8266485 6983131.5000
PC(31:2) PC 31:2 4722733.5000 3847258 4026175.2500 3523854.7500 4210537.5000 4125985.5000 4287501 3854097.7500 2472281 3558194.7500 3842753.7500 3751816.7500 3435304.7500
PC(32:0) PC 32:0 18359982 15311208 16312134 16315324 14355797 15014928 14887587 16058413 9040501 15104113 14429214 14234748 13471021
PC(32:1) PC 32:1 79250832 68730408 77578144 74183240 45221224 43329696 37005024 52529588 44560268 53153832 46062424 46863432 47356580
PC(32:2) PC 32:2 9125820 9070067 9265821 8819255 4708700.5000 4520845 4862040.5000 7126300.5000 6898098.5000 7070912.5000 4577306.5000 4153697 2484338
PC(32:3) PC 32:3 2016148.6250 2360450 2695728 2301923.5000 1192450.6250 1242307.5000 1363107.1250 2049053.8750 1887858.2500 1981333.5000 1021626.1880 983314.3125 1183128.7500
PC(33:1) PC 33:1 32808298 32605590 18987566 35258488 23373660 24367780 24548170 29990260 21474540 32046924 9726172 9421865 8306569
PC(33:3) PC 33:3 5009735.5000 7858595.5000 7288902 7582186 6839365.5000 7404085.5000 6935062 3769796.2500 3241132 2437438.2500 6033605 4774210.5000 3706399.5000
PC(33:4) PC 33:4 2520640.2500 2243776 2429708.7500 2428337.7500 3174033.7500 3154364.5000 3072643.2500 3002557.5000 2144324 3018276 2967553.5000 2829185.5000 2661305
PC(33:5) PC 33:5 1866170.6250 1954479.5000 2181173 1761128.6250 2300957.5000 2446989.2500 2181525 2259745.7500 1697941.7500 2026576.5000 1507926 1741740.8750 1108115.3750
PC(34:1) PC 34:1 334520352 309534784 341150720 305063872 295264704 279943136 297979872 346531616 241455888 305441760 74136832 71092048 67516272
PC(34:2) PC 34:2 133971520 135241280 148929984 134529024 110797816 113759384 123437200 128709264 114003568 125089432 117080736 107165416 102750048
PC(35:1) PC 35:1 6407200 6322707 5835461 5571400.5000 4561982 4500538.5000 4858138.5000 5332422.5000 3864846.2500 4900190.5000 4701670.5000 4290905.5000 4080252.5000
PC(35:2) PC 35:2 1878320.1250 1675324.8750 1575500.6250 1573689.6250 1126776 1228209.3750 1085961.2500 1496105.7500 1100541.6250 1331309.7500 1072806 1170736.7500 1032315.9380
PC(35:4) PC 35:4 2791717.7500 2630937.7500 2887208.2500 2304366.5000 1903368.1250 2618168.2500 2037439.1250 2861618.5000 1399737.8750 2839693.7500 2806710.7500 2208860 2437239
PC(35:5) PC 35:5 7554514 7700908 8726618 7140668 7202002 8503776 8539045 7839108.5000 6137365.5000 7938686 7924399 8022725.5000 7645680.5000
PC(36:1) PC 36:1 251143472 236972016 235899568 224310848 235812288 243683568 249662256 241672480 194081968 222103952 248660800 240039280 237491008
PC(36:2) PC 36:2 133838448 135219792 140308592 130061360 124030344 129070656 135336352 129568128 110338104 129577328 131420208 123195944 117226984
PC(36:4) PC 36:4 32405034 36887556 33967612 30680804 39293508 38094232 37414656 31049714 34243808 39896020 29870420 36094316 32360046
PC(36:5) PC 36:5 10457008 11438812 12725920 11502232 9548174 9174188 10055142 10639217 10488412 10366175 8807426 8913270 8408987
PC(38:3) PC 38:3 8289680 8709609 8782748 8770396 9074349 8796087 9629681 8124627 7735929 8286060 9015292 9436994 8051357
PC(38:4) PC 38:4 19505876 19960280 19100560 18157864 20409494 20153730 20897312 18501088 17309148 18489166 20287408 18829122 18873190
PC(38:5) PC 38:5 3883014.2500 3885536.5000 3825191 3363494.7500 3541537.5000 3369670.2500 3928713 3488805.5000 2834501.2500 3426320.7500 2994923.2500 2749524.5000 2866045.2500
PC(38:6) PC 38:6 1176550.6250 1181534.8750 1220327.6250 1082525.7500 958954.0625 957462 1045706 1076846.3750 937868.3750 1081090.7500 966590 862717.8750 768325.8125
PC(40:5) PC 40:5 7674134.5000 7523500.5000 8742606 7803577 8269151.5000 8572371 8596195 7443851 6642232 7574943 9117536 7928114.5000 7473400.5000
PC(40:6) PC 40:6 6609113 6522401.5000 4738034.5000 6729287 6162250 5871131.5000 6472676.5000 6189330 5355107 5838599.5000 5934985 5132315 6571716.5000
PC(40:7) PC 40:7 1938829 1951803.3750 2550439.7500 2588918.7500 2863870.5000 2746979.7500 2582949.7500 2490088 2888270.7500 2601880 1817945.2500 1348040.2500 1619643.5000
PC(O-16:0) PC O-16:0 1081732.1250 1073068.7500 1358902.3750 1456164.1250 1550878.7500 1751882.8750 2116679.7500 1433270.8750 1630606.2500 1524217.5000 1683585.2500 1865038 2056311.1250
PC(P-32:0) PC P-32:0 1142153.6250 1144195.1250 1050150.1250 1212102.5000 1409468.7500 1407427.6250 1404140.7500 1231948.3750 1025264.7500 1175511.5000 1455922.2500 1134405.6250 1545560.6250
PC(P-34:1) PC P-34:1 7841270 7691128 7581382 7423091 9067781 9111329 9091137 8875825 9043149 8486198 10034818 9221384 9977450
PC(P-36:1) PC P-36:1 1837460.7500 1894168.6250 1963159.7500 1983908.7500 2174471 2176947 2331445 2245407.2500 2211964.7500 2125464.2500 2219752.7500 2624629 2388143.7500
PC(P-36:2) PC P-36:2 1290508.5000 1225408.3750 1166679.1250 1140836.1250 1755172.5000 1828077.7500 1619441.1250 1474823.2500 1697308.8750 1581888.5000 1808463.8750 1594621.5000 2071498.3750
PE(19:0) PE 19:0 777491.3125 782392.3750 756095.3125 1115012.7500 682725.9375 740549.0625 841732.2500 818330.2500 493139.5625 765007.8750 742491.1250 785054.6250 743441.6250
PE(32:1) PE 32:1 1282681.1250 1298988.6250 1447774.5000 1292108.6250 1048303.8130 1050749 1065152 1300207.3750 792533.2500 1279780.2500 1104063.1250 891963 830968.0625
PE(33:0) PE 33:0 4287024.5000 3528026.7500 3357576.5000 2642590.2500 2361138.5000 3429900 2498000.2500 4041588.7500 2935383.2500 3706004.7500 2370275.7500 2468004.2500 1944935.6250
PE(33:1) PE 33:1 6445927.5000 6103660 6367875 6264163.5000 2938846.7500 2909835 2926224.2500 4464257.5000 3708184.7500 4018406.5000 2957693.2500 2752341 2933650
PE(34:0) PE 34:0 7903408.5000 6952175 7651751.5000 7165816 7128591.5000 6486818.5000 6535134 6530996 5613258.5000 5823165 6528169.5000 6053887.5000 6124016.5000
PE(34:1) PE 34:1 37026764 34208088 33652296 33839148 33603232 33366458 34188664 36319972 23019818 33388162 31786264 33189238 34534316
PE(34:2) PE 34:2 14082783 13901505 13808586 13164509 13900362 15386453 11019985 15242205 12831911 14627682 16070596 15589210 15325173
PE(35:0) PE 35:0 95379000 94342704 94838904 94393872 95808016 99656096 98949728 96088424 68463648 94839208 95728968 96898688 96208472
PE(35:1) PE 35:1 28288140 25642540 27311910 23800912 13751955 13564860 15460813 21601282 15586779 19290712 12474879 8445731 12153013
PE(36:1) PE 36:1 12718036 11051359 11621528 11015204 7115961 7773391 7722783.5000 10097349 5966484.5000 8751463 6391998 7145331 6764637
PE(36:2) PE 36:2 19907116 19349186 20683226 19061642 15636559 16388975 16047347 18569256 12776272 17325872 15421750 16096485 15092539
PE(36:4) PE 36:4 8242435.5000 8162291 7866024.5000 7635878.5000 9006067 9307187 9897204 9283737 6835240 8789192 8978341 8575235 8196282
PE(37:2) PE 37:2 55989700 56601332 59785860 54347176 45276636 47509796 50221276 52171448 27863990 40591816 46050000 43861196 40163760
PE(37:3) PE 37:3 11746064 13666777 13834196 12628128 7310124 4763294.5000 4615232.5000 11679281 10456896 11419518 8109894.5000 7962346 6396063.5000
PE(38:1) PE 38:1 42552108 39630036 42159984 41747096 34767424 36269244 35806864 38890528 35234168 35517532 35588152 35492676 34095528
PE(38:2) PE 38:2 11375315 11043850 11355584 10113936 8086166.5000 8791841 8884175 9524363 8883630 9770402 9273932 7970544.5000 7467504
PE(38:4) PE 38:4 5926431.5000 5951304 5541428.5000 5524428 5128096 5145255.5000 3230074.2500 5578934.5000 3292145.5000 5273384 5333697 4944857.5000 4988973
PE(38:5) PE 38:5 4525211 4423906.5000 3329638.7500 2106901.2500 5339418.5000 5219506 5449462.5000 4834681 3733271.2500 5118613 2362504.2500 2064330.3750 2302385.2500
PE(39:1) PE 39:1 50119496 44336992 47665540 43549852 44426184 43469996 45076344 33790688 22101074 30979648 40775620 33693624 35958432
PE(39:4) PE 39:4 34114804 37969332 36894236 35263704 32267556 30698738 32509372 31938210 34243808 32161558 29645764 29723254 26812420
PE(41:1) PE 41:1 3167491.7500 3032116.5000 2920962.5000 2749630.5000 3323260.2500 3454547.7500 3112210.2500 3080119.5000 3104030.2500 3013241.5000 3341963.5000 3116569.2500 3330381.5000
PE(41:2) PE 41:2 2057910.5000 2312386.2500 2220078.7500 1920141.8750 2500707.7500 2534997.7500 2592484.7500 2096650.5000 1912424.6250 2295622.7500 2521869.7500 2393458 2219851.5000
PE(41:4) PE 41:4 6196836.5000 9099786 6366907.5000 8982841 10901564 9872543 11099831 9557154 7421488 9272767 10016512 9333047 8151961.5000
PE(41:5) PE 41:5 6933661.5000 6386601 9102951 5713804.5000 8241253 8513601 9239614 8465473 7795870.5000 8655153 8698908 8270895 7086208.5000
PE(41:6) PE 41:6 2013889.2500 2152562 2141801.7500 2033755.2500 1667888.8750 1749111.3750 2020892.6250 2222374.2500 1832367.6250 1910739.3750 1823379.7500 1908563.8750 1571705
PE(42:5) PE 42:5 1274395.1250 1388848.3750 1381820.5000 1345283.8750 1188389.7500 1042596.1250 1142931.3750 1285877.8750 1178107.2500 1252313.1250 1114559.7500 1241834.6250 1220667.8750
penem CGP31608 390396.8750 274853.5625 302179.3438 305783.4688 270337.1250 271270.9063 390080.9688 248306.9063 255684.7031 216711.4688 262853.6250 255056.4219 212024.2813
pentaethylene glycol Pentaethylene glycol 57098112 37140496 44089220 39089596 8416107 56461332 52622708 18216910 23686870 78627832 70952608 9207088 109024824
pentetate 810305.2500 900271.0625 753591.7500 1022500.1880 388371.0313 354154.3750 391966.1875 646938.5625 766502.6875 642979.6875 300952 482644 510248.3750
PE(O-38:5) PE O-38:5 4992110.5000 4205178.5000 4470794 4136356.7500 4723842 5594959 5332850 4800979 3360591.7500 4500503.5000 5820230.5000 5363921.5000 5497159
PE(P-20:0) PE P-20:0 786783.0625 786480.3750 771901.8750 769095.1875 938073 792871.5625 900917.5625 856758.4375 1245602 940641.1875 954471.6875 948755.5000 961381.6250
PE(P-36:1) PE P-36:1 5170250.5000 4897815 5257192.5000 4897226 5505420 5731744 5822962.5000 5489246.5000 5079218.5000 5311831 5897528.5000 6444883.5000 5243967.5000
PE(P-38:4) PE P-38:4 4104518.5000 3696146.2500 3242454.2500 4765210.5000 4994431.5000 4260572 5096080.5000 4202053.5000 3083371.5000 4500503.5000 5820230.5000 5363921.5000 5497159
PE(P-40:4) PE P-40:4 1539829.6250 1120129.3750 1194249.7500 1156288 1208839.3750 1348396.2500 1238262.2500 1176212.2500 876185.6250 1229414.3750 1334919.1250 1446574.6250 1337443.6250
PE(P-40:5) PE P-40:5 1627200.5000 1607604.2500 1736310.3750 1569299.5000 1749079.5000 1825250.2500 1999277.1250 2031978.2500 1039214.8750 1531722.6250 1701365.6250 1894742.1250 1818850.7500
Phe/Ala Phe-Ala 1865195.8750 2112218.2500 2157011.5000 2264742.5000 408756.6250 551591 550275.5625 1063769.6250 1033864.7500 1141917.5000 496045.9063 459161.8125 423992.3750
Phe/Asn Phe-Asn 10181902 9093876 7538044 8938002 911677.4375 657889.0625 566979.8125 4713335.5000 4106803.7500 3624538 768401.1250 815730.8750 941164.1875
Phe/Gly Phe-Gly 4381679.5000 5027616 6044203.5000 6699871.5000 205104.9375 274062.7500 259579.0469 2423616 1967429.5000 2289307.7500 268476.6250 277412.7500 294028.2188
Phe/Gly/Arg/Arg/Trp 298923.4688 195649.0469 193652.5156 245686.0156 90179.4141 108538.9219 133925 124039.0859 106194.6953
Phe/Gly/His Phe-Gly-His 363648.9688 338209.8125 365516.7813 353450.5625 36274.3477 55443.3008 214763.5938 167189.5781 175589.3594 53446.1523 50995.8164 51635.8711
Phe/Gly/His/Lys/Arg 1763216.7500 1428487.1250 1408599 1686172.3750 970922.4375 1046922.7500 905824.6875 1654781.7500 1334123.8750 1524766.8750 1131712.7500 994266.1875 956240.4375
Phe/Lys/Arg/Thr/Tyr 327962.3750 226945.5156 250982.2344 238663.9375 581894.3125 726769.8125 714918.5000 355325.8750 371062.6250 601735.6250 967526.6250 517147.6875 473052.0313
Phenylalanine Phenylalanine 26472796 24774380 25218752 24674494 17223122 18338906 19067760 21904416 20856072 23162294 12660971 12219153 13768140
Phenylethylmalonamide Phenylethylmalonamide 561424.5000 602038.9375 502850.3125 505014.3125 181985.5000 217085.1406 191704.7188 407888.0313 347609.3750 338355.5313 192735.5469 230785.7031 185623.6875
phenyl sulfoxide 111244.3594 139456.3594 90675.4062 123410.1094 161202.0156 137244.0313 147585.9375 167541.7500 150675.8906 136835.5938 157024.9375 142435.3594 155663.8750
Phe/Pro/His Phe-Pro-His 498942.7188 489924.9063 522574.4688 478749.1563 106342.5078 80059.1719 121258.4453 266908.9375 224812.7344 307336.0625 134375.8906 107752.5547 101747.9531
Phe/Thr Phe-Thr 1032832.3750 1007912.3750 1101070 1145338 324191.2188 331298.2813 239111.6250 876162.3750 574203.3125 626218.1250 325012.6563 322355.1875 262882
Phe/Thr/Pro Phe-Thr-Pro 1014222.0630 1426266.1250 1221677.7500 1328995.8750 99700.1328 471175.1563 208344.8125 374682.9688 85364.8125
Phe/Thr/Thr/Tyr 161089.1406 154781.4688 136492.2500 167292.2813 157429.1719 172729.3281 139533.4063 152494.3125 176238.6094 179055.1875 164010.0313 144363.8750 174167.1406
PHODiA-PG 750831.3750 488284.5625 581987.2500 526035.3750 201880.9531 221080.4375 205894.4531 536356.3125 386171.9688 496457.1250 213077.7188 165341.5156 193592.1406
Phosphinothricin Phosphinothricin 106093.0625 119797.6250 140831.1719 156441.0938 72114.6562 98654.6484 114933.2734 108034.9297 128551.0469 130186.4766 96586.9609 104682.4453 98121.2109
Phosphonoacetaldehyde Phosphonoacetaldehyde 14997399 12966180 13846162 13330863 15381188 13931617 13898424 17109300 15326002 16548210 14706743 14184590 14537178
Pipecolic acid Pipecolic acid 164180128 155151696 155110208 166211744 25717950 26992400 28286106 76567792 63095744 72869080 18711196 18174480 20187708
Pipericine NA-Pipericine 201635.3906 195414.7813 187660.9375 214216.8906 269157.2500 265919.4375 308542.6875 273859.5938 218754.4844 273521.8438 220651.0938 279722.1250 301415.7813
Piperidine Piperidine 4944709.5000 5867111 5416805 6069773 836364.6250 786318.2500 624968.5000 3104214.5000 2221330 2455436.2500 695723.6875 668136.4375 667048.1875
piperidine-3-carboxylate 6405405.5000 6116483.5000 5981351 5889810 3904753 3912591.7500 4102109 5459397 4894934.5000 4754604 4160714 3780177.7500 3663578.5000
platensimycin 9363011 7155720 6546868.5000 8633227 365484.9375 374373.2188 413476.6250 3117740.5000 2417687 3159293.2500 354742.8438 315268.9375 378213.5625
Polyoxyethylene dioleate Polyoxyethylene dioleate 810660.9375 372414.9063 530572 478658.4688 200547.7500 279846.2500 196942.7500 318393.4063 164003.2500 276556.4688 194590.0469 220681.0156 102572.9063
POV-PG 578331 561911.1875 639403.9375 925687.0625 324475.3125 484438.5313 483813.5000 590128.4375 334619.5000 562329.0625 505228.9063 435646.7813 478298.2813
Pro/Ala/Asp Pro-Ala-Asp 2338789.5000 1954894.2500 2570856.5000 2113313 196189.8906 78561.2734 81417.9922 1011922.6880 860546.6875 665832.7500 103817.1484 138069.0781
Pro/Ala/Glu Pro-Ala-Glu 1705261.3750 2116844.5000 1694654.2500 1815100.2500 102060.2500 110822.0234 779335.6875 741971.0625 711966.4375 94510.4766
Pro/Ala/Glu/Phe 507132.5313 687548.6250 829130.1875 578391.4375 138086.6719 152694.1563 123451.1484 270521.9063 270531.8438 367335.5625 148300.3906 124486.0547 103249.9453
Pro/Ala/Pro Pro-Ala-Pro 315500.6250 248252.1719 328882.8750 261052.0156 227705.0313 254386.2500 221260.9063 260943.2656 280575.3125 282479.4063 223837.2188 220946.1719 210205.9844
Pro/Asn Pro-Asn 29921396 31151132 28908048 27718776 2296249.5000 2743536.7500 2293778 18678588 15123553 16527519 2302308.2500 2217130.5000 2270307
Pro/Asn/Ala Pro-Asn-Ala 401285.8438 554592.0625 373025.2500 428912.4375 85148.0078 85960.3516 295567.4688 300509.2813 336014.3125 69101.7656 76606.3203
Pro/Asp Pro-Asp 263377312 256197232 258292400 271517216 14673830 15581973 15166517 125717776 102900504 118020320 13926538 12988110 13654685
Procaterol 109908.2188 107885.1875 193069.9063 120233.7344 131595.2344 120489.2578 108718.7266 120218.1250 131091.1094 138951.8906 121530.9844 122223.8438 105047.7188
Pro/Glu Pro-Glu 51755612 51708936 50755832 54646452 4129735.5000 4198954 4052812.5000 28057186 23206768 25417702 4307633 3793488.5000 3897994
Pro/Glu/Asn Pro-Glu-Asn 219808.1875 254303.5938 223004.2656 208629.2500 112639.4375 115536.5156 132743.7344
Pro/Glu/Asn/Phe 292066.4063 318155.1875 297824.0938 262286.4688 162227.5000 174446.4688 182892.7969
Pro/Gly/Ala Pro-Gly-Ala 1699064.5000 1779282.5000 1680075.8750 1797053.8750 829741.6875 871641.1875 781929.6875 1421332 1279215 1289579.1250 786486.8750 707402.4375 843800.7500
Pro/Gly/Gly/Pro 562513.1875 615096.1875 600744.1875 605767.3750 288631.8750 274109.5000 335657.3438 533953.8125 496806.0938 474552.9375 224592.7969 374139.9375 299252.2188
Pro/His Pro-His 3017891 3183179 3416437.5000 3061327 234109.5313 223586.3750 251591.1875 1789355.5000 1282733.5000 1593179.2500 192897.7188 205588.9844 201249.4219
Proline Proline 276702624 261196432 261598976 264961056 158567504 162193008 176694320 211583248 198162576 202596496 136602608 123737440 132565648
Pro/Pro/Pro Pro-Pro-Pro 658141.1250 667855.7500 594248.1875 599888.5625 189147.5000 225621.4219 224520.9531 441396.5000 351169.6563 407400.9688 172519.8438 220963.9688 191188.7188
Pro/Pro/Ser Pro-Pro-Ser 892335.4375 889244.1875 969874.6250 912710.4375 154831.6875 156553.9844 130159.4141 572881.1250 587234.5000 492328.2188 125081.6250 143219.2656 132184.8281
Pro/Pro/Val/Gln 22096598 24752788 25223806 23855770 272212.5000 235018.4688 286005.8750 8713497 6182322 6790231.5000 256507.8281 340190.3438 243308.9375
Pro/Ser Pro-Ser 1881998 1762211.5000 1704535.6250 1570838.1250 601760.3125 587703.2500 558591.4375 1382348.6250 977805.1875 1299523.7500 609619.9375 545980.3750 538818.9375
Pro/Thr Pro-Thr 165775696 164100624 159380176 156849248 8955385 9044861 9158185 103004080 79571160 89692640 7973357.5000 8110353 8451192
Pro/Trp Pro-Trp 12403523 13219183 13012731 12444619 414247.4688 384064.4688 398533.6250 6078830 4358503 5039032 357342.6875 374147.2813 450400.4688
Pro/Trp/Thr Pro-Trp-Thr 2805547.2500 2784456.2500 2730362 2713522 76639.7188 95450.3828 87066.1797 1096654.6250 802177.0625 952160.8125 75113.3203 72720.6250 63500.3984
Pro/Tyr Pro-Tyr 1086847.2500 1315140.6250 1070456.8750 1230702.6250 183898.7969 239418.1094 222856.1406 656870.5000 581400.8750 515095.0313 233651.8125 252543.5625 187351.0781
Pro/Val/Asn Pro-Val-Asn 1826476.2500 1807893.8750 1800029.2500 1820126.1250 78831.6328 88520.7500 109982.1250 749897.5625 540168.8125 653234.5000 89682.2891 80003.0078 136077.2031
Pro/Val/Asn/Phe Pro-Val-Asn-Phe 98343584 103073504 100702776 97098760 2016899.8750 1908245.7500 2082123.8750 58552504 41968520 50125496 1985238.2500 2345181 2108514
Pro/Val/Gln/Ala 8793847 8624172 9197518 8609870 1859839.2500 1823309.2500 1847213.5000 5631547 4402486.5000 5038864 1860738.8750 1758502.5000 1953778.7500
PS(36:0) PS 36:0 1616912.1250 1737851.2500 2091133.3750 2022139.5000 852550.5625 1266373.8750 967852.6250 1600227.5000 1233678.1250 1126253.5000 847627.6250 791385 677969.5625
PS(36:1) PS 36:1 5103314.5000 4435209.5000 5161085 5254336.5000 3435045.2500 4278301.5000 4087870.7500 4042157.2500 2596835.5000 4352181 3127639 3984838 3553305.2500
PS(38:4) PS 38:4 3373008.2500 3665207.5000 3671029.5000 3812135 4032187.5000 5300623.5000 5180109 3940460.5000 2743965.7500 4081241 4361669 4601287.5000 3682162.5000
Pseudoconhydrine 432697.0938 547006.6875 588701.8750 525519.6875 394570.3438 431382.3438 443933.9688 604823.3750 498497.2500 486956.2500 356526.0938 448146.6875 366811.0938
Pyrene Pyrene 2188053.7500 1526942.7500 2247814.2500 2314083.2500 2185132.5000 1944063.1250 2023821.8750 3057318.2500 1996905.2500 2280827.5000 2049348.8750 1991897.3750 2141591.5000
Pyridoxal Pyridoxal 1698290.2500 1629984.5000 1672911.2500 1481211.1250 2488197.2500 2331772 2432857.2500 2219609.2500 2025006.6250 2047669 2594585.2500 2182792.7500 2416386
Pyridoxine Pyridoxine 11932551 12114763 12134634 12456783 11079608 10808708 10575812 12206816 13491972 12757887 10367250 9356236 11758381
Pyridoxine 5^-phosphate Pyridoxine 5'-phosphate 1148228.8750 1012779.3750 1037378.6880 1092066 567010.9375 440071.7813 482701.0313 834748.9375 714692.8125 703124.8125 464020.7188 397793.8125 452549.9063
Quinaldic acid Quinaldic acid 944845.4375 842292.1875 879853 1034671 2069448.5000 2658119.5000 4383460.5000 774495.1875 1458556.2500 1009277.6250 2311731.7500 1161751.1250 1125154.5000
quinocarcin 336074 236057.5156 116569.5625 87539.0781 63702.1055 48856.4062 33423.0273 202819.0938 119133.2266 98190.3203 58130.3555 42213.9883 26157.5996
quinoline-4-carboxylate 350426.7813 311784.3125 354684.5000 373811.5313 868170.8125 1107306 1560495.2500 252660.4219 536457.5000 245512.6406 823263.3750 391521.5313 315231.7188
Riboflavin Riboflavin 811474.1250 733402.6875 758439.2500 546219.6250 976311.2500 958092.1250 710163.4375 751772.6250 490190.8750 737790.6250 959511.3125 936594.6250 890035.6250
Roxatidine acetate 208914.6719 228132.9375 231761.0156 242769.7500 196991.3281 201988.3594 201791.1250 245821.9219 208658.9688 247368.4375 224657.1875 211298.9688 226254.7031
Sarcodon scabrosus Depsipeptide 288430.4063 172960 157515.3281 239714.5625 205974.2188 236300.0469 238819.8125 197772.9844 191641.7500 206420.3125 152032.3438 172628.8438 178694.2969
Se-Adenosylselenohomocysteine 644115.9375 505513.8750 1011149.8750 197359.4844 465971.5938 395011.3125 872374.3125
Senecionine Senecionine 1163590.3750 1458368.8750 1817403.7500 1102689.1250 657100 602182.6875 590075 787703.9375 669003.7500 860426.8750 588528.7500 668185.4375 588596.2500
Ser/His Ser-His 296000.6563 260240.5156 389237.8750 285553.2188 96210.3516 107459.0938 75610.9922 187461.3438 219630.0313 199663.3281 115727.4609 98533.4062 78788.7109
Serine Serine 1798195 1699933.5000 1490085.5000 1773251.8750 1490495 1621796.5000 1530606.1250 1487391.7500 1378369.5000 1505942.5000 1470614.2500 1304270.8750 1581890.2500
Sesaminol glucosyl-(1->2)-[glucosyl-(1->6)]-glucoside 359144.9063 254989.9531 274510.9063 195874.7500 728786.2500 729754.5625 690736 483871.6250 469455.1875 446188.5000 826244.5625 822207.8750 665630.4375
Slaframine Slaframine 6576252.5000 6895524 7002397 6957234.5000 6917454.5000 6393633.5000 7038900 7299755 6114260 7016764.5000 6829594.5000 6804555 6849287.5000
SM(d32:1) SM 32:1;O2 3441600.2500 3295735.2500 3101299.5000 3174901 4141110.5000 3777888.7500 3354341.2500 3167074.7500 3699192.7500 3798213.7500 3714235 4011363.5000 3483390.2500
SM(d36:1) SM 36:1;O2 2721081.7500 2506345 2697117.2500 2251283.5000 3202908.7500 2942482.5000 3009281.2500 2692167.7500 1882056.8750 2659119.7500 2813867.7500 2286997 2473869.7500
SM(d36:2) SM 36:2;O2 2589280.2500 2477788.5000 2461168.7500 2654292.5000 3042172.5000 3403616.5000 3165556.2500 2608602.5000 2523322.2500 2849725.7500 2908243.2500 3237098 3120797.5000
SM(d40:1) SM 40:1;O2 10244492 8281163 8052617.5000 8183146 8422518 9469196 8719382 9265086 3779696.5000 8128491.5000 8580264 8712167 8448306
SM(d40:2) SM 40:2;O2 4039900.5000 3491947.2500 3688947 3523116 4143094.5000 4369117.5000 4868888.5000 3803598.7500 3311126.5000 3777604.7500 3984223.7500 4407355.5000 4180837.2500
SM(d41:1) SM 41:1;O2 3156817.7500 2141748.7500 2084679.3750 2278664.2500 2368905.2500 2596598 2633122.7500 2591335.7500 1040325.1250 2147046.2500 2168610.2500 2355702.5000 2272955.7500
SM(d42:1) SM 42:1;O2 29352642 22959734 21553902 22540320 21920774 24303906 23698668 25019042 8122404.5000 21120810 20521760 21390674 20979436
SM(d42:2) SM 42:2;O2 44761704 37002352 33836376 35228220 41070328 41958792 42720840 43639536 22381582 35456476 43496628 40477812 39356204
SM(d44:2) SM 44:2;O2 2459477.5000 1916276.8750 1869749.6250 1989640.2500 1833510.5000 2233607.2500 1609264.8750 2292226 1043035 1898674 1919751.8750 2083992.2500 1972058.2500
sn-glycero-3-Phosphoethanolamine sn-Glycero-3-phosphoethanolamine 261966.6406 279932.3438 207617.2813 296965.7813 284668.8438 319355.2188 281016.9063 373023.5938 340365.5313 375907.1563 331668.5313 324226.0625 307043.3438
Sphinganine 1-phosphate Sphinganine 1-phosphate 433549.2813 291391.1250 227648.4063 413129.6250 302822.3438 267957.1563 239174.5625 291855.8438 202640.6250 341437.2813 273049.2188 332713.3125 313439.1875
Stearoylcarnitine CAR 18:0 1315677.5000 1310160.3750 1184521.7500 1352014 1667631.1250 1503051.6250 1784713.5000 1476759.3750 1620685.6250 1761452 1557826 1666622.1250 1261537.6250
Swainsonine 428019.0625 428373.7188 417525.5625 496139.9688 458794.8125 441635.6250 564405.2500 543987.8125 423644.5313 450803.1563 463381.2500 441561.7500 469538.2188
Tenuazonic acid Tenuazonic acid 343955.2188 378904.7188 412776.0938 576006.6250 255424.5781 429305.7813 409590.0938 417691.1875 471869.5000 369498.2500 376520.3438 474326.7500 449818.5625
Termitomycesphin A Termitomycesphin A 10913928 8337353.5000 9073355 8084179 6085107.5000 6055983 6330838 8054689 4781117.5000 6703073 6370623 5478832.5000 5055171.5000
Tetradecene Tetradecene 1372278.2500 2232548.5000 1236447 2015982.1250 2036199.7500 1273946.2500 2912441 1767750.1250 1142428.2500 1913302.8750 1821437.2500 1124089.2500 1182542.1250
Tetraethylammonium 356564.0313 376857.4375 405907.6250 412940 386283.6563 447218.2813 419242.1250 366582.9063 358658.7813 417021.2188 433438.0313 361448.2500 362050.3438
Tetraethylene glycol Tetraethylene glycol 7980657 9889393 19630772 14189758 10673543 15795173 23512972 11301089 22942920 8577396 12708837 8329682.5000 19797430
TG(50:3) TG 50:3 1065489.2500 1331938.8750 1553256.1250 1945066.1250 475895.8438 574192.8125 355978.3750 984165.3750 430516.5625 787237.9375 636520.5625 506002.3125 687099.2500
TG(54:5) TG 54:5 2966226.2500 2825306 2769995.5000 3706867.7500 1958485.8750 2168258.5000 2049291 2710000.7500 1235769.7500 2559088 2032938.5000 2304155.7500 2578230.5000
TG(54:6) TG 54:6 2097420.5000 1510014.6250 1945625 2523790.5000 1118060.8750 1537424.5000 1213967.6250 1810876 777080.0625 1730237 1302020.7500 1453756.5000 1461451
TG(56:8) TG 56:8 761872.0625 738056.7500 400378.1875 843553 516029.8438 621846.3750 498581.0625 732863.7500 353515.5313 588369.6875 475012.6563 664585.6250 608197.6875
Thiamine monophosphate Thiamine monophosphate 4052608 3718386.7500 3649610.2500 3838477.7500 1138501.7500 1102876.3750 1007997.2500 2786563 2258795.7500 2276129.2500 1175855.1250 938703.6875 1075601.6250
Thiamine pyrophosphate Thiamine diphosphate 2984116.5000 2986166.2500 2894035.7500 2697517.7500 771210.5625 733251.5625 883321 1557343 1437051.2500 1307916.2500 871206.6875 798702.4375 755193.8125
thiazolidine-4-carboxylate 150769.9531 148396.6250 148078.9531 136133.7813 300183.4063 166182.5469 186526.6406 163315.6250 193248.3906 159130.9688 259132.2969 188371.9063 225301.6719
Thiomorpholine 3-carboxylate Thiomorpholine-3-carboxylic acid 190147.2813 280621.8438 313500.1563 270968.1563 215752.4688 174707.6250 174425.3906 237826.0313 292916.2500 319248.7188 143613.8594 178946.8750 153288.2656
Thr/Ala Thr-Ala 159841.8438 200312.2344 230424.2500 155888.6875 204825.8594 160508.9219 148888.9063 192582.1406 164324.8125 254058.8594 164837.0469 174073 169273.7188
Thr/Ala/Ser Thr-Ala-Ser 1752787.8750 1542285.3750 1560236.3750 1803430.3750 1078914.7500 1085292.8750 1099700.3750 1375948.1250 1395689.7500 1415829.6250 1133977.7500 1127584.8750 1123249
Thr/Cys Thr-Cys 461183.3438 377633.4375 369676.1250 474552.5313 426860.9375 563090.6250 666977.8750 554694.0625 407045.0938 334000.3750 596531.8125 384689.5625 381378.3750
"threo-2-Amino-3_4-dihydroxybutanoic acid" 181504.4844 225183.3438 190978.2344 232547.9219 143565.4688 124551.8672 130398.1797 161593.1563 143088.5000 146397.0625 124461.6875 117467.1328 133061.8906
Threonine Threonine 16984286 17309494 17535358 17813512 11531948 12423557 12567189 13821328 13465449 13554764 13021704 11762571 12701144
Thr/Gln Thr-Gln 377026.4063 405165.4063 459894.3750 392931.1563 123432.2891 120524.8359 116036.9609 262347.1875 215277.5781 237128.3438 104814.3594 125943.8672 119628.1953
Thr/Gly Thr-Gly 394602.9375 365251.6875 506836.1875 415653.5000 101181.2656 84033.2812 93801.0312 294118.5625 262740.4063 250510.7969 96627.4531 89454.4688 76661.2578
Thr/His Thr-His 355252.2188 316684.7188 358424.6563 329184.5938 108400.4375 141469.3906 127063.1875 292416.2813 197192.1250 171732.4688 93309.2188 100207.7813 104080.1250
Thr/Lys Thr-Lys 491116.7500 396575.1563 467934.2500 470133.4375 98983.6797 80903.7969 80404.3203 216305.9688 160860.6094 184868.9375 79342.0156 74828.3203 78420.5156
Thr/Pro/Glu/Glu 198703.1563 204114.1563 190001.7188 194468.3125 51639.7266 45251.9961 50599.1328
Thr/Pro/Pro Thr-Pro-Pro 325694.5000 277278.2813 288264.5000 322197.9688 133522.4844 173083.8281 113668.0781 219328.9375 229214.1406 203389.2656 121892.1875 144253.0938 101178.3203
Thr/Pro/Thr Thr-Pro-Thr 2475576 2356406.2500 2325527.7500 2318660.7500 81493.6094 95505.4375 102517.5234 1365614.8750 1148762 1100671.3750 108996.4844 70822.5547 122319.3750
Thr/Thr/Thr Thr-Thr-Thr 1254170.2500 1169002.3750 1184794.8750 1315438.6250 208212.6250 212638.6719 271265.5000 713296.5000 579862.6875 601346.3750 218157.5156 224919.4531 247236.5938
Thr/Thr/Thr/Thr 987963.3750 914722.5625 979587.5625 1116438.5000 260827.3906 256979.3594 243500.7969 749308.9375 684061.3750 714654.3125 272545.8750 275162.6563 268165.8438
Thr/Trp/Cys Thr-Trp-Cys 674187.2500 597265.2500 707096.3125 558588.5625 532004.0625 491268.2500 440977.7813 640241.3125 828180.1875 655601.9375 565319.0625 570309.0625 455126.1563
Thr/Val Thr-Val 1534646.7500 1644640.5000 1389259.5000 1667885.3750 332125.4375 302248.9375 287930.1250 628398.8750 575202.1250 587618.5625 371751.1250 317226.3750 272740.4375
tridecadienoic acid Tridecadienoic acid 5642716.5000 6671801.5000 6574601.5000 8921230 725143.6875 8121181.5000 5610322.5000 3072708.5000 833424.9375 25605354 11438091 892363 10713529
Triethanolamine Triethanolamine 192731.8594 179931.9531 194997.6406 196973.4063 240903.5000 264244.0938 243606.1719 255935.9219 213971.3750 236145.6406 258625.8906 200169.6250 257740.1406
triethylene glycol 2766892 3908016.2500 1922943.8750 3903536.5000 5020328.5000 2997720.5000 5573825.5000 3828414 5748421 3007649.7500 5793685 3865404 3018952.7500
Tritoqualine 175066.6094 145766.5156 139644.7656 165799.4219 138123.6719 191418.6875 181307.2969 138517.7344 127007.7266 137641.6563 168012.0625 170770.6719 156730.4375
Trp/Cys/Gly Trp-Cys-Gly 137802.0938 155597.8281 169752.8750 129924.9531 155656.7031 227981.8281 181489.4531 152502.6875 161752.6406 137840.4531 209737.8281 181293.6094 182457.7969
Trp/Gln Trp-Gln 406932.5313 339088.1875 319941.6875 306293.0313 200094.5156 216080.2969 203589.9688 358057.6563 294107.0938 274852.9375 208519.9844 174685.4375 188387.5625
Trp/Gly Trp-Gly 481693.4063 509653.0625 530198.8750 472125.2500 202898.6094 154725.7188 183315.2969
Trp/Gly/Ser Trp-Gly-Ser 144737.0313 132735.4063 103940.2813 138559.5938 88493.2266 98723.9141 100835.0078 132329.4219 101554.2969 97073.0625 96404.8281 79656.4453 86808.9375
Trp/Val Trp-Val 281655.6563 308136.8750 207423.3906 285606.4063 105575.6719 143037.7969 135177.7344 308006.7188 199575.3750 195091.7813 95077.1328 119725.0859 94858.8984
Tryptophan Tryptophan 7951304 7871523.5000 7918504 7891552.5000 4887726 4802859 4453751 7330578 7058868 7906302.5000 3713314.5000 3873914.2500 4672361
Tyr/His Tyr-His 1299159 1285225.1250 1248698 1319487.3750 58519.7070 490670.1250 443201.6875 439889.1563 92516.6953 48353.4414 47905.7891
Tyr/Tyr Tyr-Tyr 2531255.5000 2633162.2500 2687661 3417356.7500 1167693.7500 1203294.7500 1508629.8750 2589258 3005857.5000 2332832.7500 973145.8750 1073357.6250 1732770.6250
Uridine 5^-diphosphate UDP 505310.1250 383690.4063 410511.5313 500391.1563 454826.5625 446041.4688 477669.5938 405833.8125 391870.1250 445811.1563 420291.1875 333339.4688 482469.0938
Val/Ala Val-Ala 392978.5938 395596.0938 382769.8750 452594.1875 386018 357632.4688 358269.5625 357148.7500 356813.3750 343877.8750 278544.8125 261035.2500 365403.2813
Val/Arg Val-Arg 425504.3750 365716.7188 416067.3438 346560.6563 206019.7656 183053.6406 185422.0625 314006.7188 228165.2344 291761.9375 246662.3281 170089.1406 228195.1406
Val/Asp Val-Asp 2704073 2807350.5000 2781128.5000 2863306.5000 1397492.1250 1267127.2500 1390277.1250 1721876.6250 1465611.6250 1713798.5000 1422468.6250 1301210.1250 1503463.3750
Val/Asp/Asp Val-Asp-Asp 135742.2969 129810.9141 121461.8359 129153.4453 81988.8594 62030.6875 77423.9297
Val/Glu Val-Glu 1547140.6250 1544821.1250 1561903.3750 1703407.7500 722766 686832.1250 743431.8125 1250006.5000 1125815.6250 982108.1250 843048.6875 664593 690553.7500
Val/Gly Val-Gly 1106597.8750 1077299.7500 1032251.2500 1039376.1250 137033.8594 132256.7500 150162.4375 604189.3750 395536.0938 467323.9688 139562.6563 118806.4922 126093.3281
Val/Gly/Ala Val-Gly-Ala 914517.3125 853007.1875 937687.1875 1058863.1250 447534.7188 427964.8438 505592.4688 726475.3125 675888 634183.4375 507221.4688 467386.9063 464344.4375
Val/Gly/His Val-Gly-His 232900.2188 180321.5469 171455.6094 184979.0625 161327.7344 112724.4609 126154.9375 221490.8125 200945.2031 320825.4688 214353.0156 172440.8281 267496.2188
Val/Gly/Pro Val-Gly-Pro 958164.3750 972019.0625 977926.2500 956509.9375 86004.7031 113332.4844 101729.9688 683229.9375 425718.3750 549548.8750 96281.9609 81149.1953 97517.6641
Val/His Val-His 3511036 3735210.5000 3951150 3644734.2500 752255.6250 942538.5625 1047274.3130 1723251.6250 1381059.3750 1457372.7500 712630.4375 877181.6250 905591.6250
Valine Valine 30699666 29029098 27106602 27372774 29333380 24753296 25859188 30698240 28486538 30038620 29579496 28192878 30088462
Val/Leu Val-Leu 3902844.2500 4131214.2500 3716085.7500 4190506 994000.6875 1142792.1250 1027524.4380 3030869.2500 2163223.5000 2777903.7500 1101703.2500 971855.0625 1043989.2500
Val/Leu/Gly/Ala 740961.1875 785977.6250 804937.2500 816496.8125 433388.3125 354136.5938 306573.6563
Val/Lys Val-Lys 6522860 6169489.5000 6316180 5973397.5000 328046.3438 352628.5938 300483.5313 3182146.5000 2280818 2591800.7500 313579.5000 284440.7188 283418.4375
Val/Pro Val-Pro 11218205 11476892 12236475 12856136 918435.8750 1076643.1250 2922608.7500 2203654.5000 2434320.5000 3131684.5000 1510087.2500 1146894.3750 1301943.7500
Val/Pro/His Val-Pro-His 140086.7813 185858.6875 172185.3750 185818.9063 153589.8438 67170.7578 92350.3047
Val/Pro/Pro Val-Pro-Pro 1536140.1250 1671352 1525233.2500 1539324.3750 73158.9844 68912.0234 73242.4297 577632.1250 292671.2500 408128.8750 71757.4375 64013.3398 77925.3359
Val/Ser/Ser Val-Ser-Ser 1888288 2144432.7500 2203878 2263309.2500 1572403.8750 1461995.5000 1784455 1684602.1250 1855469.6250 1991507.7500 1566143.1250 1426318.3750 1494756.6250
Val/Val Val-Val 5128475 6014386.5000 5821695.5000 6081035.5000 452932.2500 458519.8750 460701.8125 2704454 2042953.5000 1941952.5000 393775.4375 383543.7500 565514
Val/Val/Tyr/Pro 2752809.5000 2654075.2500 2526845 2781465.7500 588214.8750 586476.4375 604760.5625 1486697.5000 1383378.7500 1531937.6250 580199.8750 581927.6875 544751.3125
VIM-II(d42:1) 1042565 871165.6875 1034298.0630 603718.2500 2638505.5000 2369540 2980315.2500 1600347.3750 1425375.2500 1283199.8750 3065648.2500 1905991.7500 2098827.2500
Vindoline 367513.7500 372459.8750 385934.7188 369315.8438 58944.6914 45036.9648 50212.0234 184229.2656 151863.6250 163311.1250 60688.3828 62901.8359
"xi-4_5-Dihydro-2_4(5)-dimethyl-1H-imidazole" 350308.0313 382863.4688 447695.4688 478476.9063 131383.4531 148127.8438 157086.5000 299657.6250 228932.5313 251608.2969 136372.4688 141357.3906 150850.6250