Metabolite_name RefMet_name P_3D7_MIPS2571_1 P_3D7_MIPS2571_2 P_3D7_MIPS2571_3 P_3D7_gluc_1 P_3D7_gluc_2 P_3D7_gluc_3 P_3D7_1 P_3D7_2 P_3D7_3 P_2E7_1 P_2E7_2 P_2E7_3 P_2E7_gluc_1 P_2E7_gluc_2 P_2E7_gluc_3
Factors - cell_type:iRBC | treatment:3D7 + Compound 3-1 cell_type:iRBC | treatment:3D7 + Compound 3-2 cell_type:iRBC | treatment:3D7 + Compound 3-3 cell_type:iRBC | treatment:3D7 + Glucosamine -1 cell_type:iRBC | treatment:3D7 + Glucosamine -2 cell_type:iRBC | treatment:3D7 + Glucosamine -3 cell_type:iRBC | treatment:DMSO -1 cell_type:iRBC | treatment:DMSO -2 cell_type:iRBC | treatment:DMSO -3 cell_type:iRBC | treatment:PfAM17-HAglmS-1 cell_type:iRBC | treatment:PfAM17-HAglmS-2 cell_type:iRBC | treatment:PfAM17-HAglmS-3 cell_type:iRBC | treatment:PfAM17-HAglmS +Glucosamine -1 cell_type:iRBC | treatment:PfAM17-HAglmS +Glucosamine -2 cell_type:iRBC | treatment:PfAM17-HAglmS +Glucosamine -3
1-18:2-2-18:2-monogalactosyldiacylglycerol 187908.7500 199964.8594 205987.2344 204765.9531 307591.1250 179476.8125 217458.7813 190535.6406 171428.0781 200464.4531 228388.9219 164575.0156 170328.4688 191293.6250 143884.0469
15(R)-hydroperoxy-EPE 10367292 11165025 13491332 19021722 16525986 13455966 10570162 15744933 10631483 17691088 20855770 21631610 28890536 36556528 33343832
1-Guanidino-1-deoxy-3-dehydro-scyllo-inositol 1D-1-Guanidino-1-deoxy-3-dehydro-scyllo-inositol 224317.9219 224900.3750 551409.3750 47683.9570 50330.6133 47711.3008 90099.3203 67635.2812 70565.5156 79410.2812 131353.1563 83606.9453 101784.2188 127731.0234 83084.5391
1-hexadecanoyl-sn-glycero-3-phospho-(1^-sn-glycerol) 348611.2188 202167.7344 325692.5000 261927.6094 263351.0938 186799.5938 393311.2813 339032.5313 348383.8750 344996.8750 325015.3750 266136.5313 46587.5117 124829.4688 96792.0625
1-O-Cinnamoyl-beta-D-glucose 1-O-trans-Cinnamoyl-beta-D-glucose 305046.0938 301115.2813 201446.3594 206903.8281 414497.7500 364240.0625 247929.9688 252954.7188 195138.5156 243478.7656 260163.8750 192092.9375 144757.5781 253958.6250 248058.3281
1-(octadecenoyl)-sn-glycero-3-phospho-(1^-sn-glycerol) 260976 204778.5313 209763.4688 169282.8438 199362.0625 120708.9609 312079.6563 255979.3281 256356.3125 196942.5781 216150.1563 188557.0781 38230.4062 62336.5352 48137.1523
(1R*_3R*_3^S*)-1_2_3_4-Tetrahydro-1-(2-thio-3-pyrrolidinyl)-beta-carboline-3-carboxylic acid 100117.2500 107216.4531 125662.0469 13994.6611 20783.0820 17320.2402 75586.7422 112485 72208.1875
1-Stearoylglycerophosphoglycerol LPG 18:0 608931.7500 582760.2500 640298.1875 458378.7500 385069.1875 350129 778414.2500 623601.3125 613381.3750 510520.9063 678369.8750 546930.6875 147256.2188 233418.4531 218061.7969
2_3_4_5-Tetrahydropiperidine-2-carboxylate (S)-1-Piperideine-6-carboxylic acid 320733.7813 513787.0938 256641.5000 77486.9219 132456.0625 131276.6875 131591.2344 712430.3125 508608.1563 175611.7500 436601.0313 426690.8750 330626.8750
2_3_4_5-Tetrahydroxypentanoic acid 93463.1797 71876.3359 205117.9844 233222.6094 81130.3047 63078.3125 63075.6445 78177.2578 55831.8008 133963.8125 93677.3047 81714.3281 124062.9141 149981.2969 148269.4688
2_3_4-trihydroxy-butanoic acid Threonic acid 79257.0547 74967.2500 106335.2188 235326.4844 125120.5547 86140.2812 47459.5977 83792.7422 55407.1367 143270.5469 123659.4297 155821 219972.7500 245640.0625 251262.0625
2-{[(3_5-dimethoxyphenyl)(hydroxy)methylidene]amino}acetic acid 167532.7031 163794.5313 177970.9063 219478.4063 189712.5469 174619.5000 193644.9375 240570.7813 155450.1719 247476.2188 220358.7344 191216.8594 157791.9219 175850.1094 181351.1719
2-(4-sulfophenyl)decane 1168012 1214372.2500 1441508 1397709.2500 1946448 1046966.6880 554705.0625 2256670.2500 836760.8750 1118731.5000 1191679.3750 1284348 605812.2500 1173037.1250 798999.0625
2_6-Dioxo-6-phenylhexanoate 154311.6406 143654.0313 175014.2031 96412.7812 97739.9609 88978.5938 110276.7656 121866.9063 128476.3906 106156.0781 139545.7969 132675.2031 81720.9531 116385.5156 96143.4453
2_7-Anhydro-alpha-N-acetylneuraminic acid N-Acetyl-2,7-anhydro-alpha-neuraminic acid 99541.5547 107502.1953 107613.9688 139727.1250 87280.2969 86011.9609 100080.9922 106291.8672 98784.0938 108468.0156 119085.0781 111096.4531 84195.7578 92443.1797 83795.8672
2-Aceto-2-hydroxybutanoic acid 4685982.5000 3353917.7500 2063927.7500 2909887.2500 5622067 4465004 2863203.2500 640381.6875 1696898.2500 2605955 2720354.2500 2170413.7500 2073949.5000 2586577.2500 3513246.7500
2-Amino-2-deoxy-D-gluconate Glucosaminic acid 3628.4902 773408.8125 272480.6875 206329.4688 237872.1406 257616.5625 321611.7813
2-amino-3-(4-hydroxy-3-methoxyphenyl)-2-methylpropanoic acid 153271.7656 258128.3438 107736.5313 241490.6250 151847.6094 170521.5781 152492.2031 156888.1250 176089.7656 195308.9844 217255.5938 209751.4688 150735.5938 155355.8594 169260.5156
2-C-methyl-D-erythritol-2_4-cyclodiphosphate 79347.7969 69713.2109 104991.4609 40473.9258 47052.4258 33307.8477 79552.7266 74923.4922 64924.4727 73986.6250 106098.9766 55191.8789 89693.6328 93341.7891 81035.2422
2-C-Methyl-D-erythritol 4-phosphate 13478.9834 15047.6201 78893.1484 43728.9453 39285.3242 24140.1992 26460.0215 31709.8828 21603.3984 23223.6777 56632.6992 42207.5977 96051.5938 145383.3906 132017.8750
2-Dodecylbenzenesulfonic acid 2-Dodecylbenzenesulfonic acid 5207252.5000 4346922 4866507.5000 5276541 6830234 4116779 1890214.8750 8156813.5000 3471541.5000 4721708.5000 5169237.5000 4715431.5000 2787380.7500 5113314 3748627
2-Exo-hydroxy-1_8-cineole 109706.6016 129286.4063 168751.6719 63844.4688 132208.9688 177284.7813 146067.3281 128091.9844 188661.8594 103833.5078 106803.8203 187541.0781 85541.1172 124882.6563 97334.8516
2-Hydroxy-3-(phosphonatooxy)propanoate 3-Phosphoglyceric acid 27633.7891 26787.1875 53684.5703 46259.0195 46653.4219 36594.0469 39333.2148 39466.4492 29125.8457 34649.8984 36399.1523 29631.8906 195809.3750 202106.9219 153052.5781
2-hydroxy-3-(sulfooxy)butanedioic acid 4774.2520 10537.1787 6112.1636 4389.6768 15191.8711 5426.9253 41055.5039 16287.9531 28919.9902
2-Hydroxyethanesulfonate 2-Hydroxyethanesulfonate 117487.3750 148003.5156 211991.1094 437072.5000 146047.2813 130114.4063 92279.3281 125572.6328 94463.3984 241579.7031 155721.3906 201149.5938 167505.2031 191770.9375 235332.7813
2-Hydroxyglutaric acid 2-Hydroxyglutaric acid 237683.4844 267775.7500 388798.7813 775577.5000 251611.5625 206608.1250 152872.1875 233386.4063 186316.5313 443899.3438 237786.5938 252588.2656 355080.2813 341066.6250 547428.5000
2-Hydroxyhexadecanoic acid 2-Hydroxypalmitic acid 179765.9844 200131.6406 184372.4375 405395.8125 273571.9063 179644.6719 250873.8594 249383.1875 225870.4844 411833.1250 283408.8125 187011.8594 201391.8438 269487.6563 191460.8125
2-Hydroxystearic acid 2-Hydroxystearic acid 208642.3594 202679.1875 268416.4375 463090.8438 323819.6563 211233.8438 310791.6250 235227.5938 196094.2656 556421.6250 326593.6563 235781.6094 213439.8281 303198.6563 219278.5938
2-Keto-glutaramic acid 2-Keto-glutaramic acid 41913.1484 53942.7461 43825.8828 42238.5430 60708.7578 60181.3086 55371.7070 69203.9219 40173.4609 50989.6055 78312.3906 73196.3203 62852.8984 80990.0391 64574.9844
2-Methylhexanoic acid 1207712 1095820.8750 955115.7500 852060.3125 921462.5000 982922.7500 964156.6875 980518.7500 1462241.7500 1050347.6250 748055.8125 1238844.3750 961975.5625 1356754.3750 1138716.5000
2-oxo-5-chloro-4-pentenoate 44676.9883 28898.3281 56717.8086 21081.0977 32267.4316 63113.5703 46607.4414 26665.1074 29613.3301 65678.3750 19484.3516 43260.8516 132568.5781 71527.2969
2-p-Tolyl-5_6_7_8-tetrahydrobenzo[d]imidazo[2_1-b]thiazole 112548.8047 118223.5625 114649.9375 10568.5947 12691.0400 20276.1660 24215.0957 26780.6133 96129.0625 118918.8125 83902.6562
3-Oxooctadecanoic acid 251167.1094 245145.0313 238204.3594 323805.8438 294316.7813 300406.5313 228825.4063 331316.0938 285935.5313 395683.0625 237832.3125 258712.1875 212368.7188 299423.9375 207488.7188
3-(Phosphoacetylamido)-L-alanine 3-(Phosphoacetylamido)-L-alanine 8464.1934 7522.7261 7231.7798 6460.0967 18674.7422 9014.4512 60666.3125 66206.9453 83695.1797
3^-UMP 3'-UMP 1078737.6250 1172767.8750 1140887 540482.7500 743056.8750 699164.5000 1003880.9380 1094838.6250 940212.8125 957001.3125 1564525.3750 1319408.1250 345075.9063 439546.0313 382319.9375
4-Nitrophenyl-3-ketovalidamine 111832.2891 105284.3281 139947.8906 26272.9043 22180.6133 25235.6660 44260.0039 36687.2227 45357.3086 35704.1914 55923.1289 38487.7617 25903.5566 34347.7422 21902.2031
4-Oxoproline 4-Oxo-proline 232219.3281 244591.1563 291807.4688 469244.6875 296558.0625 231776.4375 193122.6563 264490.5938 224297.9063 461848.6563 460835.2500 442712.3125 249339.7031 290996.6250 338686.2500
5_6-Dihydrouridine 5,6-Dihydrouridine 174652.5938 153217.6719 382791.5625 146175.9531 119843.9141 72868.3906 150587.6250 192241.9531 66743.7812 374296.3438 1047426.8130 448215.8125 1983267.2500 2674536 996474.6250
5^-Oxoinosine 114735.9531 108184.6094 137819.7188 71144.6875 69675.4922 60880.0820 85544.7031 93005.6094 81801.8750 87501.9297 108038.8516 80878.1172 72917.3359 98102.7109 66183.5234
6_10_14_18-eicosatetraenoic acid 475416.8750 469564.7500 435877 518394.7500 378005.9063 313125.4688 598001.6875 505373.2813 389653.5938 450307.2813 626620.0625 528765.3125 333158.1875 469215.8125 367592.4375
actinorhodin Actinorhodin 17493.4902 18824.6250 20114.8164 17648.8242 27548.3457 14052.7285 15809.5635 17090.3945 6083.9282 51012.7227 25912.0488 13438.0098 15426.7168 10345.6436 16882.1973
Adlupone 467863.5313 419028.1875 476241.6563 363200.7188 435825.2500 528771 391830.0625 464897.0625 394900.3438 427970.6250 432921.5938 545111 408476.2813 437987.7500 550676.5625
ADP ADP 405083.1250 376049.5938 582719.8750 253388.7656 314227.9688 285678.0938 337223.2188 367597.3125 267933.2188 267731.2813 354099.5938 248587.2031 402691.9375 426517.0313 330417.4375
Ala/Ala/Ala Ala-Ala-Ala 1042802.3750 1094032.2500 1179621.6250 61407.7773 68221.7812 83753.6016 112802.3594 112587.0234 102615.9609 141257.7188 210091.1094 175359.4063 617350.8750 773861.2500 598514.8125
Ala/Ala/Ala/Asp 131850.3750 134940.8281 206501.6406 16268.4688 12161.5498 700552.5000 883621.6875 682950.3125
Ala/Ala/Asp/Tyr 99077.9688 94867.5000 93407.0625 49203.7031 46923.0195 44642.5938 70712.9844 83718.4141 59047.2344 66615.6719 106598.5547 93541.9844 92172.2891 89197.3359 67172.8828
Ala/Ala/Ser Ala-Ala-Ser 374171.4688 363638 436481.0313 11287.8750 11292.2344 14178.1963 32650.0410 32397.8828 29166.8359 35834.8789 64069.9062 56929.3516 858083.3750 1088346 838982.1875
Ala/Asp/Gly Ala-Asp-Gly 327330.5938 330737.0938 243586.1094 53412.7969 53849.1289 59409.1914 110677.8828 78977.5234 109869.7891 80222.1719 118839.7969 99994.2812 274583.5000 320439.9063 249455.3750
Ala/Asp/Ile/Ile/Gln 179648.8125 139451.7344 232355.1563 221578.6719 140591.7656 185530.7656 194716.0938 188754.2813 130238.4766 175263.3281 201271.7031 152596 225410.6563 256171.9219 171422.6250
Ala/Glu/Gln/Glu 82000.2891 77834.3438 94046.5703 7434.3657 21681.8535 20135.9238 93211.5547 108950.4609 89244.0469
Ala/Glu/Ile/Pro/Thr 5681657.5000 4422810 3897808.5000 4537489 4941347.5000 3637227.5000 6439782.5000 6285038 6217657.5000 5304337.5000 7731097 6510813 2393069.7500 3178612.5000 2416517.7500
Ala/Gly/Ser Ala-Gly-Ser 795931.4375 730172.9375 835097.8750 68444.1250 77519.7422 78378.2969 139266.6250 134930.0156 111349.5781 157040.5781 284403.0625 204746.3906 1195515.7500 1476435 1099112.8750
Ala/Ile/Ile/Lys 2531592.2500 2380190 2401491.7500 2373083.2500 1888272.3750 1492703.5000 2517420.7500 2231030.5000 1762861.8750 2306040.2500 2801425.7500 2104195.2500 2470671.7500 2468279 2224348
Ala/Leu/Thr/Ala 131325.3281 138003.9688 133386.8906 164289.8281 93514.1953 94040.4531 150005.8281 157164.8906 111783.5781 149222.5938 159157.3750 130321.1406 74108.5625 132563.7188 81937.0234
Ala/Leu/Trp/Ser 9997441 7375561.5000 9049199 543397.4375 733972.7500 646508.2500 1274805.1250 1771846.1250 1049677.2500 1639025.5000 2651605.7500 2055848.8750 3984363.2500 6701428.5000 4090381.2500
Alanyl-Asparagine Ala-Asn 84946.4609 77493.5156 108868.3125 9093.4033 18872.7793 11453.1934 23126.7734 25430.7480 25226.1953 27977.2109 36215.9727 26344.6738 39146.3633 35557.2461 26029.7461
Alanyl-Serine Ala-Ser 135528.6563 131556.3594 155037.4688 31767.2012 51511.9766 43525.4492 65580.7734 64686.0312 64166.9727 83543.0391 129602.5781 89763.7578 86342.5312 96658.1250 73999.0547
Aliarin 4^-methyl ether 3534144.2500 3319272.5000 1457984 2271975 4596301 2396017 2511324.5000 3108541 1223642.5000 2445524.7500 1914995.5000 1514008 1187850.6250 2444019.2500 2558782.2500
alpha-Ketoisovaleric acid Ketoisovaleric acid 167896.1406 152139.3750 153430.2500 151425.4063 135914.8125 143926.6250 82376.9609 137426.1719 189885.5000 139865.2656 102375.9531 155577.8594 115445.4531 124895.6094 122258.1563
Alvaradoic acid 256736.9531 274048.5313 326895.4375 283782.5938 255266.2344 224828.5000 337073.9375 355604.8438 292566.7813 320013.5313 362283.2500 279373.4375 266386.6563 266905.8438 255111.3906
ancymidol Ancymidol 112849.6719 122737.2578 113067.4922 138279.0156 149502.8594 126947.5313 125948.5313 145964.9531 100036.6875 127868 101835.2422 109029.4219 88845 116907.2109 130201.8359
Antirhine Antirhine 236882 424015.4375 488991.2813 167866 526718.3750 668564.6250 426207.2188 283835.4688 164467.5469 202464.2969 272271.5938 259095.9688 133467.1563 121519 126538.8906
arabinonate Arabinonic acid 69102.0312 124154.1250 136386.0156 141358.6094 74418.8359 144379.5156 118488.8750 150893.5469 141751.0781 129784.3203 44930.2070 107390.0938 93804.5703 83012.5156 125943.5938
Arachidic acid Arachidic acid 389923.8438 338160.1563 308669.6250 387557.8125 408612.9063 401406.2813 319657.6250 476703.9063 372490.6875 311781.5625 382897.4063 347951.5625 336411.9063 363856.6875 428268.3750
Armillatin 399052.3125 834810.9375 3364006 2605778.5000 842359.1250 1423827.5000 2338691.2500 696410.0625 1975141.1250 1274705.6250 1145295.2500 801077.0625 418767.2813 62104.5820 119829.7578
Asn/Gly/Pro/Pro 99419.6406 94527.4453 131663.4063 43342.0312 50857.3750 40683.4922 66363.1406 95717.5859 45928.4609 73601.3828 107583.3750 134951.0781 564964.1875 754060.3750 659591.9375
Asparagine Asparagine 737014.8125 780460.5000 760631.1875 844575.4375 483052.0625 404749.5938 399039.6250 555559.0625 396284.2813 900394.3125 797633.6250 649411.8125 440834.5625 500009.4063 622826
Asparaginyl-Asparagine Asn-Asn 387552.6875 383351.4063 903545.3750 84412.9453 79600.3125 73705.2812 139582.5313 127958.0234 113754.3047 155566.7500 229940.1406 117384.8906 179617.5156 241665.8594 180785.6719
Asparaginyl-Aspartic acid Asn-Asp 215738.7188 197320.3281 149429.2969 45337.8125 46893.8594 48852.2344 62035.8633 74449.7891 102514.2266 79344.6094 94580.6641 83171.2812 277004.1250 395263.2813 244731.8281
Aspartic acid Aspartic acid 2767496.2500 3309013.2500 3449480.5000 2044194.1250 1426878.5000 1090219.8750 1251459 1577763.6250 1308302.2500 2983496.5000 3406342.5000 2677897.7500 1712041.8750 2097049.5000 2329485.2500
Asp/Phe/Asn/Gln/Tyr 913945.3750 729450.3125 387821.6875 471636 761702.8750 982894.2500 468354.6563 767649.1250 819926.5625 879201.3750 940747.1250 506235.8125 557152.6250 774371.2500 627186.1250
Asp/Phe/Pro/His 314760.3125 217732.1094 318708.5625 14450.5322 15906.1211 44270.7617 35687.4023 181858.5000 202309.3438 153242.4844
Asp/Pro/Ser Asp-Pro-Ser 49830.6133 52889.2617 59060.8477 7306.2300 17668.2871 9748.1777 9016.0635 21341.0176 10312.7930 57520.8555 74093.2969 72561.3906 353617.5313 468694.3125 297928.6250
Asp/Val/Pro/Ser 404501.9375 384511.8750 404190.5938 279527.8750 313017.0938 293436.1875 379263.2500 416041.5938 364405.3438 351631.9063 508768.6875 442594.6875 378829.1563 472400.0938 358068.9375
avenolide 210974.5938 369927.5938 467197.3125 120583.8750 495433.1563 528826.3125 676237.8125 396880.9375 178058.6875 168150.7031 202935.1406 200515.2344 109465.7344 232751.6875 239949.7969
Bay-K-8644 188167.2188 46296.3281 32856.4570 70747.3984 114293.7656 98210.1016
Benzoic acid Benzoic acid 49488132 32185726 36322324 53736616 36348920 31531058 67119496 46583416 57284556 50902624 37645624 50990784 44784036 66907980 62806548
beta-aspartyl-L-alanine 304981.0313 380933.5625 345166.5938 48762.3516 53822.8594 43122.7070 96528.3984 54397.6094 65447.9297 132345.7500 144356.0781 88490.9297 421357.9063 477960.5625 435680.5000
beta-aspartyl-L-aspartic acid 112829.6797 127377.9063 123364.7344 36402.1055 46879.4805 43372.9414 56660.6758 63528.6172 45946.3906 81123.3516 94257.3203 64305.5469 205564.8438 235742.5938 180774.9688
beta-aspartyl-L-leucine 659189.8125 636655.1875 617890.1875 48063.8594 46322.6953 59815.7695 87639.3125 82365.1172 75574.7500 68491.4766 122439.2500 106315.4766 514390.7813 694032.8750 458288.9688
beta-aspartyl-L-serine 458320.9375 418228.2188 286000.4063 45909.5391 63589.3672 63640.9805 125090.4141 121064.9375 106396.5313 137857.5625 171874.3281 138520.2500 251129.2969 310972.1875 188480.5781
beta-aspartyl-L-threonine 481284.9688 492381.4063 546283.8750 52115.3555 44514.0273 50180.8281 90042.3828 74765.1172 85478.6016 69563.2500 106942.0078 75031.7500 589147.3750 675604.6875 571500.9375
Botrydial Botrydial 368935.1875 459551.9375 1485352.5000 936573.7500 409367.2188 966619.5625 916769.8750 424289.0938 638779.2500 518021.9688 347578.4688 604697.9375 311171.2813 285650.4688 275032.5313
Butyric acid Butyric acid 66877.8672 54450.3672 89751.0156 102494.9531 90020.3281 69733.2031 98926.7500 98843.4844 55156.2227 65934.5938 57480.2617 62615.9609 48963.4609 44869.7812 47804.6680
Capric acid Capric acid 873709.1875 1071667.6250 929165.9375 383565.0625 984343.5625 1261705.5000 911536.5625 1075309.5000 775050.5625 695089.9375 672466.5000 637206.5625 461150.5938 603307.5625 589104.6250
Caproic acid Caproic acid 1789156.1250 1296728.5000 1238271.3750 1410898.2500 1242113.8750 1199262.7500 1331238.2500 1469900.2500 2072787.6250 1429799.7500 971461 1754630.5000 1343435.7500 1696582.3750 1266197.3750
Caprylic acid Caprylic acid 2782912 2613590.7500 2559685.7500 1389420.5000 2500066 2677703.2500 2673436 3148529.5000 2978377.5000 2257531.5000 2592552 2594267.7500 1712089.7500 2179976 2538001.2500
Carglumic acid Carglumic acid 22276.8242 28735.7207 30034.7324 16585.5566 19772.2617 18523.9258 21348.8789 26331.8438 19005.0059 29313.0801 31410.3438 39057.5703 98358.8125 121661.7109 106244.0703
castasterone 22-O-sulfate 132094.3281 90351.1484 130971.7734 133150.6563 90393.3203 85516 109272.7656 98597.8438 93922.3594 106879.9531 108416.9609 88721.4297 102203.2188 137703.2656 86075.8359
CDP-Ethanolamine CDP-Ethanolamine 369215.4063 399850.4063 442357.6875 245844.5938 329264.1563 299802.7188 317568.0938 382155.2500 371099.4688 328196.5938 552341.8125 401846.0625 190279.5469 234231.0625 192769.4063
Cer(d18:0/22:1) Cer 18:0;O2/22:1 188913.0313 206634 196505.2031 204986.2344 166328.5000 176531.9219 180142.7031 183072.7656 160268.5469 194987.3750 166254.0156 188846.6563 154988.6875 199320.5938 167846.4063
Cer(d18:1/24:1) Cer 18:1;O2/24:1 959067 1032321.9380 911293.9375 1246838.1250 1142787.2500 959568.5000 945148.4375 1198646.2500 818052.3125 1086851.6250 787121.1250 1151291.7500 899932 1088480.2500 1001999.7500
Cholesterol sulfate Cholesterol sulfate 413442.5313 431231.9688 439508 545689.2500 478188.1563 365302.5625 450852.5625 457846.1250 382449.0625 408290.6563 564367.3125 425555.0313 438004.5313 503004.3438 427011.2500
Citric acid Citric acid 201420.5000 215912.2969 174334.4688 265803.5625 308685.7813 193113.0469 323363.6875 253823.3750 235157.1875 245532.0781 260444.3125 191887.5000 183315.8750 170073.0469 141214.1250
CMP-2-aminoethylphosphonate CMPciliatine 59713.3672 62587.5312 63713.1641 62821.6406 54900.7344 44633.5430 44732.2812 53512.1914 42970.3203 59798.5898 77365.1250 70651.8984 56414.6953 72787.2188 70922.2656
Cyclic ADP-ribose Cyclic ADP-ribose 779227.3750 726954.5000 762739.2500 637769.5625 640002.4375 505387.7188 681598.7500 765917.5625 491828.3750 665133.0625 932929.8750 684834.4375 758979.5625 952899.2500 577878.0625
Cytidine monophosphate CMP 346081.7188 312371.5000 346452.7813 141843.0938 186905.8125 165327.2813 264913.5000 301646.4063 224792.8594 241900.9844 394465.8125 308428.9688 87664.0078 133261 92946.6562
DGCC(20:5/20:5) 1141773.6250 1140476.8750 1151609.2500 1171328.5000 1244186.5000 947506.6250 1075882.3750 1084117.7500 1068919.2500 1163645.3750 1183986 1160776.7500 974202.3750 1190645.2500 1167434.5000
Diacetyl Diacetyl 2050382.6250 1454124.5000 959427.9375 1141447.6250 2359074.5000 1455142.5000 1293908.3750 1426458.1250 883028.5000 1093531.6250 1367673.1250 930672.3750 931011.6250 1274531.2500 1566623.1250
Dibenzo[a_l]pyrene 90908.4062 92575.1250 110298.1953 23472.8398 21851.4883 21173.5410 60727.3086 49426.4688 99032.8516 106579.2813 82611.6641
Dide-O-methylsimmondsin 66588.8750 155471.6094 71122.0938 64270.2812 86837.4062 133701.3750 102335.0391 17314.7441 76929.9609 57726.5625
Dihydro-4_4-dimethyl-2_3-Furandione 2-Dehydropantolactone 486185.6563 363762.6250 228239.5000 363183.0938 349819.5000 182190.1406 432532.8125 332308.6875 324957.4375 335954.0938 269446.0313 98458.1953 406667.7188 317668 284398.5000
dihydroxy-15-oxo-2_3_4_5-tetranor-prostan-1_20-dioic acid 43635.2305 193645.6250 144916.8438 102835.0547 150711.7969 149814.8750 34119.7656 121571.9063 91974.6250 76631.0156 93329.1719 27267.0254
Dimethylthiophosphate Dimethylthiophosphate 1138015.2500 879467.7500 2049279.5000 1427310.1250 1130356.8750 1118349 1423787.2500 1428589.6250 959511.8125 875993.5625 1266218.8750 932500.1875 1719442.1250 2097586.2500 1243742.5000
Docosapentaenoic acid (22n-6) Docosapentaenoic acid (22n-6) 305407.4375 318753.3750 313177.6875 365782.5000 256371.3750 236998.3281 461784.4063 438952.4063 301286.1250 300020.4375 424105.0313 309601.1563 204880.1563 231900.4063 218903.8438
Dopamine Dopamine 1460121.2500 1278489.3750 1408894.1250 2085206.3750 1428106.8750 1223858.1250 889045.1250 1487484.1250 1666438.3750 1471341.7500 1707642.6250 1740993.6250 1096071.2500 1168252.1250 1478109.3750
Eicosatrienoic acid Eicosatrienoic acid 171906.3906 194211.7344 175876.9844 250055.3125 197763.1563 138379.3438 263352.4063 222526.4844 196743.8438 178427.8438 235744.5469 220237.0156 192725.6250 260902.7031 204107.5781
epsilon-Tocopherol 513973.0938 430637.0938 391358.3438 200549.4219 430665.8125 522642.6563 251058.0469 482285.6250 343370 436624.5000 370985.7188 541171.8750 338928.2813 400875.3125 502529.3125
Eupatocunin 776174.7500 532803.1875 299355.3438 662656.8125 1122877 670940.3750 645046.2500 760531.3125 407996.2813 603822.9375 570355.4375 506499.7500 430358.8438 680043.3750 719428.7500
FA methyl(12:0) dodecanoic acid Lauric acid 199976.2500 141401.0469 364983.2813 179913.9688 258674.8906 167872.1875 389990.8750 271005.1250 263421.3125 193443.1250 181436.2031 214251.1406 118578.2109 159629.7656 207999.2500
FA methyl(14:0) 662339.2500 590504.1875 719432.3125 860092.0625 953804.4375 556107.9375 786415.0625 1165268.5000 650982.4375 736767.6875 641780.3750 506615.5625 454378.9688 598898.1250 703939.6250
FA methyl(16:1) 120984.4531 131041.0859 145666.8594 235049.2500 219885.8906 119876.8359 194382.7969 256857.1719 133715.2969 202974.8125 138225.8281 138930.4375 101355.5625 126379.1172 122958.1953
FA methyl(8:0) 6326152 8529191 8396588 3252685.2500 9663307 9459880 10877919 9321727 7032854.5000 5428329.5000 7297457.5000 5876921.5000 3845434.5000 6367356.5000 6595935
FA methyl (8:1) 208604.6406 186142.8281 196168.1875 146261.5000 188183.9844 230920.8750 144537.3438 189558.9375 307730.1250 162943.2031 155832.2188 266314.1250 144137.2500 141881.3125 171561.6719
FA oxo(16:0) 119355.1797 158376.4219 111819.1016 171955.2500 128182.0859 106049.3594 157624.5938 149677.2813 117598.2734 195326.6719 124333.7188 110572.9141 106009.0313 145568.6250 121376.3594
FA oxo(7:0) 164030.3125 216001.2344 190317.3906 173402.7500 184561.0156 166775.9688 171764.5938 140451.5469 139561.9375 150816.5469 146726.4219 194602.4219 166335.4375 159505.3281 141453.9844
FA oxo(9:0) oxo-nonanoic acid Oxononanoic acid 250061.9375 228727.3438 363224.4375 248339.7031 320042.6875 255842.9219 326187 319672.4688 240143.3125 255531.0938 230658.4531 216020.6563 212761.2344 209461.3906 220580.6719
Fenamiphos Fenamiphos 20653.3613 21935.1641 67678.0703 7358.1885 8230.0635 21134.5410 50709.9609 20445.2793 118490.8438 179401.5313 88825.7734
Fenugreekine 3066949.7500 3114632.5000 3241053.7500 2589945.2500 2584404.5000 2361765 2629318.5000 3008918 2302626.7500 2730404 3696600.5000 2955445 3029339.5000 3867880.7500 2641401.7500
gamma-Glutamylalanine gamma-Glutamylalanine 569723.9375 538516.0625 565946.6250 24367.7070 22008 24733.2715 53563.6484 42778.0469 38795.7422 54065.7695 82691.2109 53289.8945 861047.2500 1118903.6250 912327.7500
gamma-Glutamylisoleucine gamma-Glutamylisoleucine 484193.9375 519615.2188 371903.9063 110032.0234 103692.8750 83701.3203 142516.2656 148252.3438 100271.4453 145099.0625 146751.8750 137306.5781 470683.8438 560873.7500 451251
Gamma glutamyl ornithine gamma-Glutamylornithine 27798.0938 33014.0039 40330.8438 18459.3164 25799.3281 23869.2988 27482.1895 33685.2227 25127.1758 28926.8887 42073.5977 44730.6992 79513.2266 104057.5781 84241.3438
gamma-Glutamyl-S-(1-propenyl)cysteine sulfoxide 12887.3369 15563.9502 11892.8271 13863.0254 21843.5566 19935.3066 18240.5156 12768.8389 35105.3633 42078.9727 80482.1406 107921.2578 91545.3516
gamma-Glutamyltyrosine gamma-Glutamyltyrosine 239300.5000 194061.2500 446292.1563 30689.7969 30717.9844 27743.5898 80519.6406 45097.4219 71858.8359 63507.6055 101306.7969 57038.0312 85966.3359 103737.0781 77075.4141
Genipinic acid 169645.7500 130227.6328 50148.7500 705866.3125 214084.8125 146494.2031 43252.0898 437952.0313 267361.9375 63717.6094 129079.4531 116065.4375 63837.9570 271884.3125
Glu/Ala/Glu Glu-Ala-Glu 216862.2188 235205.4688 293382.0938 43501.1367 65870.6562 66420.9219 84054.3438 89932.4141 59047.6523 87922.4844 132877.5781 109689.8438 938508.5625 1164202.1250 848686.3750
Glu/Ala/Ser Glu-Ala-Ser 83988.4219 96256.8516 104298.0234 66334.5625 85994.5234 66551.9531 75932.5000 85219.1797 78400.3125 89239.2812 116578.0234 95348.0078 64792.9062 77429.7812 68053.7109
Gluconic acid Gluconic acid 720300.6250 530930.7500 2003711.8750 295861.2188 219751.2969 143741.2813 374933.5313 665830.5000 306718.5313 941854.3125 949951.6875 712876.2500 1527458.2500 2085535.6250 1603731.6250
Gluconolactone Gluconolactone 110927.5078 117474.1250 176420.8906 458521 133203.4063 107961.6797 60240.4570 95113.4453 70708.3516 210561.3125 92434.6719 127294.4688 170782.2656 181964.3281 228012.2344
Glucosamine 6-phosphate Glucosamine 6-phosphate 485037.6563 683588.3750 544226.9375 822673.1250 1003606.4380 639606.8125
Glucose Glucose 112418.5156 133860.4063 144272.9844 305540.1250 156142.0625 122674.5000 90244.1328 121416.8438 117880.9844 225871.8125 156628.1406 161266.4219 204749.0469 227660.2500 236427.2344
Glucuronate Glucuronic acid 21695.0078 21424.3301 30349.5215 128260.2344 41447.1523 36967.2344 8122.1089 16708.8789 16139.1191 34849.8555 21118.1191 36537.8555 62354.2383 73394.7188 105106.1719
Glu/Met/Met Glu-Met-Met 7429.5986 6709.2427 19663.5410 5363.6587 34884.6250 37713.8594 51028.2852
Glu/Phe/Gln/Gln/Tyr 1610643.3750 1275831 707656.0625 737719.5625 1448812.7500 1639362.3750 758926.5625 1551063.1250 1361103.5000 1641297.1250 1635300.5000 992107.4375 933464.5000 1296660.2500 1016454.3130
Glu/Ser/Val Glu-Ser-Val 105992.0469 130965.5938 143669.6563 36770.5430 51863.4414 41993.5859 61180.1367 77033.4062 38716.1211 69622.6875 82903.4141 89094.6484 555649.4375 728108.6875 585163.8125
Glutamic acid Glutamic acid 3364008 3785937.7500 3979435 6565018.5000 4737362.5000 3643593 2570164.5000 3946897 3408501.7500 7652320.5000 7969263 8356977.5000 3249233.2500 3765141.5000 4846271
Glutamylglutamic acid Glu-Glu 302433.2500 248877.4688 620727.3125 149323.7656 107796.0703 62363.2500 110261.6484 142269.3906 35225.8516 248565.4844 417680.7500 173868.6719 9049708 13486132 5293607
Glutamylthreonine Glu-Thr 129539.7266 121693.0313 126984.2266 109872.6406 125686.5703 110023.5078 158395.0156 165136.8906 108491.1641 211910.0469 241445.8438 189468.4063 193861.9375 298942.8750 217121.4531
Glutathione Glutathione 3675783 3937024.5000 5368467.5000 7837483.5000 2865177.2500 2675577 3929480.7500 3752113 3740458.5000 3606760.2500 4566547 3958443.5000 2555150.5000 2946171.5000 2793549
glutathione sulfinate 63752.4688 63851.5117 66882.6484 118200.2656 54708.9062 64297.8789 59965.7305 78655.9766 65448.2031 82139.2891 82837.9844 79538.3125 49989.0625 52204.5664 65625.0078
Glycerol 3-phosphate sn-Glycero-3-phosphate 100474.1875 143556 124322.5313 254767.2969 264937.7500 177223.4688 126811.8359 209260.9844 109485.2891 329848.8750 313486.8438 301393.5938 438812.7188 509790.9688 501988.0625
Glycerophosphoglycerol sn-Glycero-3-phosphoglycerol 57204.3203 70536.9297 69600.1016 54222.9375 52699.4570 54248.1641 50043.9648 80200.8125 40987.6523 55446.3711 96692.9219 71087.3281 57776.3516 68436.8828 51006.3320
Gly/Lys/Lys/Met/Arg 38271.9531 67023.8828 58159.8906 43628.4648 24035.1777 6709.9434 16617.9141 15502.2686 15412.0908 45031.5117 45299.2695 28163.8633 155856.8906 143538 180914.1563
Gly/Lys/Pro/Pro/Val 252995.6875 159077.7656 334605.1563 254673.0156 251304.2969 215319.3594 257323.8750 249296.4219 200126.3906 195750.7031 261136.3906 213836.5313 287612.8750 343049.4375 239456.2344
Grayanotoxin I Grayanotoxin I 64829.6914 210213.9063 764153.4375 472742.8438 265448.8750 438117.5938 421095.2500 153825.8750 439425.1875 206018.1563 209088.0781 179825 129907.2266
Guanosine 3^-phosphate Guanosine 3'-monophosphate 348957.6875 337020.5625 321651.3438 89795.3906 150385.2344 151147.4063 226613.2813 282905.4375 182490.2500 208115.7344 342378.1563 280066.0313 164357.1563 198727.3281 153085
Heptadecanoic acid Margaric acid 1035308.9380 1109346.6250 1164547.1250 1029613.1250 1043007.1880 1122940 795291.2500 1301103.5000 878384.5000 1067932.5000 1087904.2500 930587.8125 713795.6250 851004.5625 1004414.9380
Hexose phosphate Hexose 6-phosphate 101372.2344 96607.0234 107451.8984 100361.8047 115819.8906 84646.1250 111474.1328 121501.2500 92662.2969 129903.0703 158051.5000 93833.0547 122527.8906 125496.1484 115297.0078
Hippuric acid Hippuric acid 94842.0703 123245.8281 107206.7188 163628.6094 120626.8281 77611.1406 113122.4375 120306.7031 80779.3750 193086.8906 153829.5938 134421.5469 82885.1250 117275.8125 102813.1875
Hydantoin-5-propionic acid Hydantoin-5-propionic acid 31982.9082 34378.5039 42180.8477 20524.6914 24677.5059 24602.7520 27901.5449 36936.5000 20330.2051 32405.5273 48240.7773 55126.9844 159337.1563 204601.5781 192364.6875
Hydroxyphenylacetylglycine Hydroxyphenylacetylglycine 361133.3125 300558.9688 457330.9375 471527.3438 420257.3438 332069.6563 309549.2500 423918.0313 284923.8750 426492.2813 435451.8750 438401.2500 284501.0625 479185.4375 324483.0625
Hydroxyprolyl-Proline 105415.2813 119899.4063 106221.2734
Hypogeic acid 7Z-Hexadecenoic acid 315927.9375 339115.7188 545128.3750 931418.1875 678395.8125 380626.5000 787271.6875 967236.9375 454682.2188 430723.2500 399605.2188 449504.7813 268332.0625 327971.3438 373086.5938
Ile/Asp/Asp Ile-Asp-Asp 125837.6563 139552.4219 179545.2656 12758.3838 16930.0625 19862.0430 15377.5615 25368.3047 8491.8857 36737.3516 48823.9531 41973.5000 370399.1250 453155.0313 355186.9688
Ile/Lys/Gln/Tyr 109507.6719 108645.1250 130298.7031 106914.4375 110852.6797 106815.6094 105838.9375 99353.4297 131579.4531 108018.4531 114094.8984 108179.2813 105430.0391 112557.6875 101892.7266
Ile/Phe/Pro/Pro 145799.8281 232340.5781 250302.2656 129468.0625 168861.8281 133696.1563 145864.9375 197616.6719 137414.5469 161713.6719 242992.3750 180465.5156 245200.0156 264327.1563 296781.8750
Inosinic acid IMP 620867.1875 611178.9375 581763.7500 602572.5000 545426.1250 397809.0938 835778.6875 602655.5625 515427.7500 573042.6250 744881.7500 510504.4375 525327.9375 601660.3125 542396.1875
Isoleucyl-Alanine Ile-Ala 1027677.9380 819318.2500 1166769.6250 102047.7500 123210.4297 285188.4688 158972.6094 343745.3438 287861.4063 369569.3438 494506.7813 312750.9063 847617.5625 1000092.9380 770684
Isoleucyl-Asparagine Ile-Asn 1010574.5630 1111997.8750 1138662.1250 92021.3203 103960.7500 113089.7656 171419.9688 204261.5938 163460.6094 164058.8750 343892.3438 264436.1875 1082171.3750 1449920.8750 1136454.3750
Isoleucyl-Lysine Ile-Lys 443283.9375 406492.8438 497647.6250 69380.3984 68129.4531 102829.5156 157418.9531 116316.8672 169610.2344 102616.6484 210439.4531 167707.2188 31804.7832 42937.2461 28145.0742
Isoleucylproline Ile-Pro 1395734.2500 1285703 1026672.3750 243204.3750 265809.5000 239975.6875 438553.7188 496111.6875 431910.4375 578921.8125 531460.8125 518530.7813 434516.3750 382890.6563 284769.0313
Isoleucyl-Threonine Ile-Thr 3780633.2500 3207389 3173967.2500 480387.8125 377758.1250 532039.4375 894401.1250 969046.1875 818381.0625 782052.3125 1375762.1250 975091.3125 1672530.3750 2122893 1378613.3750
Isoleucyl-Valine Ile-Val 1147203.7500 1219892 1190835.7500 116341.8516 124677.8750 91922.9453 202303.5156 227394.7188 182094.9375 166489.1719 314891.8750 255884.3750 1764015.6250 2242651.2500 1661154.7500
Isopropylmaleate Isopropylmaleate 96741.2891 96612.1016 41170.2617 76234.5938 77523.5391 88028.4297 98513.7734 99281.5078 112915.9297 101692.7969 43287.3906 72229.3359 84190.6562 83159.5156 103035.3828
Isotridecenoic acid 168321.9688 148353.3438 220136.3125 185296.8125 154204.7656 210640.9688 346033.9688 149383.4219 53275.3945 219438.0781 40223.0547 111690.8516
kifunensine 260030.9531 234917.7656 261872.8438 55578.3789 67237.7578 62938.3516 86825.9844 94697.5312 80110.3281 273635.2188 379402.3438 313654.2500 607659.3750 930465.9375 509447.1875
Lactic acid Lactic acid 219648.6719 186674.1719 219867.6250 648973.1875 261124.5000 224768.7656 345313.1250 321380.3125 216744.6250 330364.9063 220888.2031 294798.5000 283701.9063 453176.3750 496654.1875
Lysergic acid Lysergic acid 605324.3125 506819.3125 253522.5625 479780.7500 922471.8125 488366.1563 565526.3750 531298 323435.1875 415024.2500 440654.3125 365560.5313 384845 506090.5313 542319.8125
Lys/Lys/Trp/Pro 176870.3906 169826.6719 223424.5625 197104.4219 199691.3438 165386.3438 134456.0469 169394.4531 173808.2813 192832.7031 224453.9063 221270.6719 170001.9219 249176.7656 199376.5000
Lys/Lys/Tyr/Tyr 1278092.8750 792609.5000 913779.9375 690240.9375 530447 380767.0625 878986.0625 886220 812716.8750 692992.6875 1436121.5000 1109397.6250 518060.9688 468397.8125 304933.3125
Lysyl-Asparagine Lys-Asn 288984.9375 259415.9063 257674.5625 52889.4258 54093.1797 63920.0664 116098.9453 79118.3125 121833.1953 68707.1484 138158.3281 95258.0078 27398.0293 37962.6523 22616.7832
Lysyl-Glycine Lys-Gly 244084.5156 243801.5781 323950.5938 47487.4961 61430.4023 63498.9102 105057.3125 92731.2500 80830.6562 114421.7891 153820.8438 100555.9141 85779.2891 104486.0938 76751.1406
Lysyl-Serine Lys-Ser 266834.7500 256057.2031 349299.7188 52318.5781 51359.6484 47266.1328 84644.1016 85738.8203 77300.5625 71182.0234 116559.9922 80175.1875 90349.9688 98421.5781 74065.6094
Lysyl-Threonine Lys-Thr 405167.0313 403465.0625 462888.5000 38676.9805 45332.7305 44571.1992 76977.3203 69207.5781 79490.7422 69884.6875 113674.9297 76636.4141 170605.3594 212274.6563 166256.5625
Lysyl-Valine Lys-Val 2285810.2500 2162717 2158927 140258.3125 169967.5938 180793.4063 315053.8125 294282.3125 231645.2969 421122.2813 544427.7500 474303.4375 1170501.5000 1545736.7500 900900.6250
Malic acid Malic acid 1830075.2500 2184969.2500 2872549.2500 3110407.7500 3490522.2500 2701068.2500 1943531.7500 2884070 1787187.5000 4152109 5003094.5000 4493594 2252433.2500 2767790 2315712.5000
Mannitol Mannitol 32634192 34477288 5244972 52974080 3396395.7500 2842969.5000 38739152 37467292 1770314.5000 43332648 21936506 2098529.7500 46168556 56263084 2702719.2500
Melanin Melanin 182684.4844 208708.9844 228831.3906 203582.8281 211602.5625 173818.8438 187582.9531 220214.1719 187946.4844 192296.3750 290234.9063 202447.3125 195273.5156 260388.7969 186087.8281
mercapto-2-propanol 37623.4453 37676.5391 43108.0352 28461.2363 42535.8906 38338.6719 35454.5938 27433.0332 31851.2734 27333.9863 29781.1797
meso-tartrate
Met/Cys/Cys Met-Cys-Cys 279328.7500 303076.7188 258821.4688 607546.7500 278591.3438 277374.0938 313587.3125 359422.3750 295124.8438 361682.5000 356471.5000 337921.6563 186555.6563 229720.8438 267411.9688
Methionyl-Valine Met-Val 72642.5859 44036.1250 106078.7188 256974.4688 253557.2500 242626.2656
methyl dihydroxy-11R_18-diacetoxy-prostadienoate 62099.5781 158090.9063 474021.0938 396131.6563 207016.6250 336381.7500 368772.8438 123448.4609 294882.2500 202206.0156 190266.6406 213035.1719 69514.2891
monomer 396051.4688 403679.2500 386969.8125 393247.2500 421779.6250 415412.5313 396183.3125 431946.2813 421091.4688 373079.8125 392746.1563 373374.4063 411638.8750 411420.6875 390987.9063
Monomethyl sulfate Methyl sulfate 59298.2891 83116.6094 67540.2188 116154.0234 93777.7734 69431.0625 70334.5859 99435.2344 68324.7500 149274 105662.0547 98980.2812 96186.2891 4809172.5000 95669.9141
Myristic acid Myristic acid 1772682.2500 1939295.8750 1488568.7500 2034779 2075016.2500 1560726.3750 2267562.2500 2879218.7500 1567528.3750 2012277.1250 1672398.7500 1391926 1337440.5000 1544888.8750 2124936.2500
N2-gamma-Glutamylglutamine gamma-Glutamylglutamine 109280.7656 116015.9141 129658.0625 7336.0815 13356.4150 14125.4668 24415.4434 22461.9805 19106.1250 28415.8867 42099.5000 39438.7383 165955.8438 228809.7031 200543.0781
N2-Succinyl-L-ornithine N2-Succinylornithine 2184569 2290006.2500 4546377.5000 106153.7031 118760.9531 99791.4531 245649.3281 195376.0156 177881.0625 350611.1250 552786.1875 359166.9063 5032951 6728574.5000 4696087.5000
N-(4-oxoglutaryl)-L-cysteinylglycine 34129.3047 26626.2910 37331.5586 93561.5000 115155.2031 78673.8828
N6-Acetyl-N6-hydroxy-L-lysine N(6)-Acetyl-N(6)-hydroxy-lysine 388146.9063 410546.1875 476336.5938 51420.1055 64184.5234 63303.8906 90722.9922 96950.7500 93388.6797 90421.1016 163522.2031 139579.0313 421516.2188 465224.3750 389421.5000
N-a-Acetylcitrulline N-Acetylcitrulline 172352.4375 158717.6406 194170.8438 11174.5273 12535.9717 13067.0732 27429.0996 26387.5000 27678.4375 33239.1992 44879.9414 42572.7539 139255.0469 178187.8125 134676.9219
N-Acetylglucosamine 6-phosphate N-Acetyl-glucosamine 6-phosphate 18936.4629 25141.6543 23472.3633 287176.6250 330443.8125 273639.4688 21723.8535 21989.7090 17067.2305 27049.2402 29740.3340 24695.6152 282223.9688 329909.1250 264863.6250
N-Acetylglutamic acid N-Acetylglutamic acid 67641.1016 55538.7344 113138.7188 77934.2578 73947.2969 33032.5195 65752.2969 64138.7695 39579.2539 54345.6914 106501.5938 56238.3164 34348.9219 44835.5586 34990.4375
N-Acetylleucine N-Acetylleucine 72935.9375 69350.1250 88594.6250 91372.7266 65931.3828 46995.2930 53690.8398 53562.2734 53349.1758 45215.7891 82114.3125 51942.1055 55437.3828 109310.4453 50657.2188
N-Acetyl-L-methionine N-Acetylmethionine 1863157.1250 2092721.6250 1535836 1836171.2500 1759357.7500 1007218.3750 1459574 1744053.5000 1321641.6250 2880278.7500 2877858.7500 1774415 514582.8438 816943.3125 649038.8125
N-Acetylornithine N-Acetylornithine 222377.7969 238056.1250 267767.6250 86299.4609 92379.7812 87034.0781 115772.1797 142192.0469 75859.1328 152926.9375 186402.9063 162485.7969 259826.2031 272849.6563 232964.7969
NADP NADP 124536.7422 103768.2969 148580.6094 67928.5391 93679.9766 87595.5781 101295.9609 115691.3516 85519.7109 87982.2109 125677.0469 82637.8125 86715.6328 115290.0781 76470.8672
N-D-Glucosylarylamine N-D-Glucosylarylamine 75924.7266 93834.2266 96151.3281 120315.5859 123781.1328 73907.3438 90901.7656 98397.0938 107460.7344 114743.1250 84852.9922 95953.1953 100513.2266 132684.4219 113421.2969
nicotinate beta-D-ribonucleotide Nicotinic acid mononucleotide 125766.2422 155055.6406 128074.9453 122925.0703 131857.2500 110410.4219 118000.8750 141712.8125 101110.3672 133938.9375 167165.1094 146132.0313 183981.9219 224489.2969 184077.3125
Nicotinic acid adenine dinucleotide Nicotinic acid adenine dinucleotide 112610.6875 108614.7813 123788.7813 110403.3516 100157.2891 87821.8672 109514.4141 108385.4375 102130.3047 86241.5703 125836.7656 73080.3359 94132.2656 94273.4062 78091.0391
N-lactoyl-Tryptophan N-Lactoyl tryptophan 43818.7266 56144.3516 62779.5586 304560.4688 400721.8438 289048.5938
N-Lignoceroylsphingosine Cer 18:1;O2/24:0 206105.3438 166741.7813 172951.7656 206079.6719 151107.3125 132929.6094 167705.0313 184010.2500 149042.5469 210971.2813 203577.6406 203256.5000 164289.0313 173772.8750 179081.3906
N-Palmitoylsphingosine Cer 18:1;O2/16:0 360786.1563 460099.0938 432532.3125 484143.8438 489825.8125 254140.3281 382906.7188 540456.1875 388949.4375 503160.4688 477603.7188 498882.7813 428144.8438 638605.6250 452992.3438
N-Succinyl-L-glutamate N2-Succinylglutamate 218267.3906 214403.4375 310579.1250 196014.7031 168393.7188 135545.7813 216414.7969 233195.1250 165931.5781 199641.4844 344997.6250 198461.5000 37250.4805 56032.2891 49049.7422
N-Undecanoylglycine N-Undecanoylglycine 257003.2500 139330.1563 184658.5781 295005.4063 127510.2500 129446.0469 218707.4063 222441.4531 188772.1094 218311.4688 149419.4375 127108.3281 181941.6406 155773.2188 228386.7031
N-Undecylbenzenesulfonic acid N-Undecylbenzenesulfonic acid 4610158.5000 4143504.5000 5292936 4062312.7500 6193046 3728022.2500 1845781 7734888.5000 2838054 4293846 4799400.5000 4843274.5000 2394176 5022331 3030495
octadecadienoic acid Octadecadienoic acid 271106.7188 283366.1563 263444.8438 308690.0313 316708.5313 273176.5313 283381.3125 282615.9063 308437.6875 267511.4688 255409.9063 259945.1250 299584.6875 271540.4063 279038.8125
Oleic acid Oleic acid 3403047.2500 3761885 3471002.2500 4454524 4134023.5000 3023185.7500 4783312 5101479 3824346.7500 3823811.7500 4761712.5000 3799685.2500 1264757 4432131.5000 1286095.3750
O-Phosphoethanolamine Phosphoethanolamine 258598.8906 304121 307866.3125 277687.3125 358192.4375 259158.6094 250972.2188 278074.0313 280114.1563 284531.7188 395351.7500 286406.6875 479110.4688 583264.1250 420815
Orotic acid Orotic acid 14201.5811 22404.6074 19560.0039 49544.8633 54570.0781 24602.9023 41387.9258 60249.6328 21860.9316 62659.8867 73828.1797 57742.1758 18401.4414 12307.8691
Orotidine Orotidine 43662.5938 50393.7500 62922.1289 116895.5859 56818.6641 48980.5430 38102.5039 45165.0938 35083.5273 89497.8594 52037.6055 58792.1602 58334.4805 67413.5703 73312.5703
Oxidized glutathione Oxidized glutathione 762833.4375 662581.1875 930815.8125 628853.3750 960793.3125 617950.8750 569053.9375 948252.2500 401875.1563 1279827.5000 1114819.3750 781804.8750 517533.4375 648310.5625 561367.1250
Oxoglutaric acid 2-Oxoglutaric acid 786203.1250 844538.9375 881023.3125 2262552.2500 2759147.2500 2031064 1262244.3750 1660067.6250 1007598.8750 3243555 2870493.2500 1882680.8750 1348455.5000 1585655.8750 1384401.3750
PA(16:0/18:1) PA 16:0/18:1 570196.6250 628471.5000 506516.8125 718462.1250 615169.8750 567323.4375 529270.1250 697921.8125 551707.1875 640750.0625 713737.6875 692193.5000 508746.9375 567357.3125 533287.4375
PA(16:0/18:2) PA 16:0/18:2* 279031.1250 240797.5313 229917.3281 343548.1563 256319.3906 203832.4688 194279.1875 293610.1875 238109.5781 262433.9688 291662.8438 266175.9688 211259.0938 295171.6875 283961.0313
PA(16:0/20:4) PA 16:0/20:4 149322.1094 208086.1250 175592.2188 246342.1094 134362.3281 139106.4531 155071.1406 141516.1094 189570.4375 199006.4375 250012.2813 174497.2813 149405.8750 186193.9219 189926.9219
PA(16:0/22:2) PA 16:0/22:2* 564626.8125 519778.7188 615269.5000 465955.3750 628557.5625 520531.3125 298986.7188 767265 476390.8750 472343.1563 518275.9688 530007.0625 354851.7500 522945.8125 513496.6875
PA(18:0/18:2) PA 18:0/18:2 244785.7188 223374.5938 231253.1094 260451.2656 300063.5000 190433.4688 247901.9375 207519.8750 229932.4063 287711.7500 273592.3438 295511.2813 212422.1094 306772.4375 274713.4688
Palmitic acid Palmitic acid 27737508 29429766 23981666 30863398 34835196 25085910 19128008 47425912 27892124 29960820 27755086 21403814 23240532 31051782 30868068
PA(P-42:4) PA P-42:4 646628.1250 693424.6250 697987.5000 716597.7500 657376.3125 600537.1250 609476.1250 595987.3125 627426 587306.9375 620447.5000 610265.2500 603478.3750 593697.8125 665412.6875
PC(29:1) PC 29:1 233664.6563 205211.8125 156537.4063 141810.4688 210835.1250 142012.2344 244086.4531 233006.4375 259793.1875 204969.5625 191313.7188 193685.5781 160794.8438 171491 131420.8438
PC(35:6) PC 35:6 410965.3438 362805.5313 453976.2188 366584.1563 508923.5000 380039.1875 391178.5625 378666.3125 458869.0313 324630.6563 317079.6250 356182.8438 339512.8750 447188.9688 376828.6250
PE(14:0/22:4) PE 14:0/22:4 1181133.2500 1116691.8750 1144147.8750 994634.5625 1374711 945993.8125 1080929 1170938.7500 1040550.7500 1041911.1250 1178448.2500 1056893 982418.6250 1048112.4380 989165.0625
PE(16:1/18:1) PE 16:1/18:1 387003.4375 439902.4688 424573.8750 294980.0625 366158.1563 352293.2813 390017.9688 390032.6875 380693.1563 384832.9063 316380.4375 388900.5000 322538.7188 323109.0938 286975.6875
PE(18:0/16:1) PE 18:0/16:1 694518.9375 756427.8125 737670.1875 609226.2500 682811.7500 606417.8750 736415.8750 693916.1250 652696 644032.6250 847282.2500 707210 504141.6563 617884.6875 532898.0625
PE(18:0/18:1) PE 18:0/18:1 547353 491995.9063 356536.3750 383987.0313 615201.8750 460420.9375 470315.1563 475695.4688 450834.3438 452919.0938 532971.1875 458104.6563 425380.0313 487344.6875 462670.8125
PE(18:1/18:1) PE 18:1/18:1 525789.7500 566579.2500 482885.9063 439607.8125 604357.3750 436976.4375 446134.4688 553096.1875 474721.3438 488055.7500 445880.6875 430526.8125 452190.7500 500427.4688 465035.9063
PE(18:1/18:4) PE 18:1/18:4* 567685.0625 579352.4375 518928.8125 367279.9375 541092.2500 461890.5000 499016.3750 576402.4375 521783.7500 476221.7500 614914.3125 445597.6563 486767.5000 526675.1250 469885.5625
PE(18:2/16:1) PE 18:2/16:1 438970.3438 462538.8125 484850 302583.2500 433356.1563 379531.3125 474324.0938 525217.1875 413254.5000 286868.3750 418012.9688 370309.7188 291651.9375 343335.7813 288709.6250
PE(18:3/P-18:1) 316340.9063 232568 255031.3125 236464.9063 324795.4063 166542.9375 212471.7500 247199.3125 212192.2969 231217.7188 247806 205472.6250 202792.2500 239473.1719 242502.6094
PE-NMe(11M3/11M5) 2570768.5000 2692808.5000 2886831.5000 3125088.5000 2549267 2150317.2500 2332963.7500 2708728.2500 2366657.2500 2602656.2500 3411587 3021902.7500 2244926.5000 2732255.2500 2475202.2500
PE(O-18:1/20:4) PE O-18:1/20:4 652111.6875 606321.1250 493182.1563 652421.2500 673923 469744.4688 492264.0938 542032.1250 495991.5625 518927.2188 557529.1875 492538.2500 485277.3750 546857.2500 561241.9375
PG(16:0/22:5) PG 16:0/22:5* 624847.2500 600425.6250 782778.3750 421741.8750 536643.0625 427205.1563 600386.1250 653988.0625 517888.7188 578776.3750 762216.8750 649006.8750 577553.0625 694252.6250 550108.4375
PG(18:0/18:1) PG 18:0/18:1 1611756.6250 1668376 1665458.7500 983357.8125 1204451.2500 1049875.5000 1638270.6250 1604773.5000 1365692.3750 1408816.3750 1855336.8750 1559603.6250 1195566.2500 1468834.5000 1309866.2500
PG(18:0/18:2) PG 18:0/18:2 1998831 2027876.5000 2218547.7500 1239158.3750 1495530.6250 1315456.3750 1879810.5000 1829856.1250 1460740.8750 1588821 2427727.5000 1715090 1624423.6250 2008350.3750 1558001.6250
PG(18:0/22:5) PG 18:0/22:5* 244566.8750 235012.2031 244764.3906 129955.3125 166181.6406 150637.4063 198921.4688 204141.8750 167873 170869.5156 313055.1250 202890.6719 223462.5313 221874.7656 174200.2031
PG(18:2/22:4) PG 18:2/22:4* 161741.7344 182783 185284.5156 107598.4688 152780.7344 139684.8281 136431.3906 210326.5313 139207.6250 176220.5469 139909.9219 152349 147919.8594 227826.0625 145456.6094
PG(34:1) PG 34:1 2568958 2519945.2500 2535769.7500 1543688.7500 2010084.8750 1545740 2176019.5000 2267549.5000 1823810 2124269.2500 2837196 2218970 2098757 2582827.2500 2220169.7500
PG(34:2) PG 34:2 733584.7500 815101.8125 776132.7500 509138.5000 572719.3125 459362.9375 733183.0625 725377.1250 580379.2500 652222.6250 838059.6875 593935.5000 610502.5625 778285.6875 604049.5625
Phe/Lys/Met/Met/Trp 1809772.7500 1290943 638966.0625 772492.9375 1399648.7500 1806361.8750 843050.0625 1425820.7500 1477182.2500 1564129.3750 1822994.7500 991920.3125 936929.6875 1148259.6250 1007452.5000
Phenolsulfonphthalein Phenolsulfonphthalein 11946892 10938353 9455607 15571949 9899966 7355026 10076231 11759141 9629348 13071507 12325814 11719750 10493999 14105594 11969927
Phenylacetaldehyde Phenylacetaldehyde 1084145.7500 799504.1250 489281.0313 887428.5625 1794314.8750 1109668.2500 863709.1250 1173618.8750 637116.8750 660858.1250 699768.0625 547932.6875 499664.3750 706617.3750 888157.1250
Phenylacetic acid Phenylacetic acid 950707.4375 1875691.1250 98641.8438 884074.6875 504650.9063 566063.5000 790484 1714250.3750 112110.7031 1155656.5000 759086.9375 666167.6250 621152.6875 661544.3750 888300.4375
Phenylalanine Phenylalanine 226103.5625 232956 151695 233167.0781 118851.2578 97285.5547 99916.6953 139767.3438 88530.1562 204418.5156 177931.3750 135091.5938 146683.5156 185064.6406 204768.0781
Phenylalanyl-Aspartate Phe-Asp 684253.6875 633955.5625 551743.6250 33145.4688 32618.6074 40333.1406 71926.6953 63678.0625 57029.5039 58215.3711 103096.5391 70115.5547 458834.2813 601576.1875 393011.7813
Phenylalanyl-Glycine Phe-Gly 768253.3125 629577.5625 811788.7500 200426.2500 122024.1406 114634.5234 141212.9531 219952.7188 2085216.1250 2561941.5000 2026264.6250
Phenylalanyl-Threonine Phe-Thr 1026967.3130 922774.7500 897276.7500 159692.4219 189002.4688 4082976.5000 5471722 3846752
phosphinomethylisomalate 69842.9062 66473.2188 74591.4922 71869.9766 76249.4453 67974.7109 68676.2344 77471.4688 57674.1445 74282.7188 106340.4922 78236.1484 94672.2578 104515.5156 93205.2109
Phosphodimethylethanolamine N,N-Dimethylethanolamine phosphate 93262.8516 89377.1562 174147.0625 132514.9688 113716.2500 86729.7656 90371.0703 95125.0625 83719.6328 100198.4375 224766.5313 112736.1016 165241.8281 228164.6563 140995.5000
Phosphoenolpyruvic acid Phosphoenolpyruvic acid 15092.9502 20489.2383 23911.0508 31027.4473 32461.9609 19159.3828 27991.4238 21832.4375 17532.5195 33602.2109 24327.2090 20018.3008 114509.3516 100439.8203 95866.5703
Phytuberin Phytuberin 9341153 19919948 22687470 7866572 21394756 29635920 19377346 13566277 6284103.5000 7947253.5000 8812762 8621963 5161863.5000 4918186 5580741.5000
PI(14:0/22:1) PI 14:0/22:1* 1806089.2500 1914034.3750 1808759.5000 1523634.7500 1802080.3750 1507856.5000 1647748.5000 1710501.6250 1586040.6250 1932715.1250 2436562.7500 2253700.2500 1549751.8750 1623966.8750 1549102
PI(18:1/20:4) PI 18:1/20:4 287683.8750 322322.8438 291771.1875 262257.3750 319916.7500 288218.5938 296229.6563 284437.0938 259374 302415.2500 349830.1563 331787.6875 246134.9844 275012.7813 215124.7656
PI(18:2/18:0) PI 18:2/18:0* 758122.1875 838423.0625 747322.6250 654887.4375 721356.3750 627955.2500 688117.4375 811652.8750 707038.2500 732582.7500 977366.8750 808065.7500 548494.2500 714078.7500 595808.8750
PI(18:2/20:2) PI 18:2/20:2* 662400.7500 731883.3750 691723.3125 859279.3125 684594.2500 585976.0625 600907.5625 667921.0625 539891.3750 711228.0625 758430.6250 708073.0625 624485.6250 713121.2500 660986.9375
PI(20:0/20:3) PI 20:0/20:3 20402.9375 19474.7754 45042.7305 51455.9336 62234.1758 53824.5469 140244.4375 262765.5000 248537.7813
Pilosine 542173.4375 1385452.5000 716923.2500 572311.3750 595515.1875 1420316.1250 1222682 174259 461999.7500 563457.3750
Pipercyclobutanamide A 190526.9375 203981.6406 181498.5781 210098.4531 195390.7188 146095.9844 193962 165185.7344 216801.1406 191065.7188 206474.9531 199738.3438 198078 196069.8750 234909.6563
Polypropylene glycol (m w 1_200-3_000) 119056.8438 354436.8750 358056.7500 181184.4219 449055.7188 366697.4688 2266665.7500 730328.4375 154298.7344 119439.6563 365499.9375 204443.5313 245016.8594 1065788.5000 786885.3750
Polystyrene sulfonate 139056.7344 127830.6406 155778.4375 134847.4063 178941.5000 134153.3906 41587.9023 269876.3750 83126.3984 127185.1172 160600.5469 133958.5000 52501.9531 141605.7969 88300.5312
Prehumulinic acid 89798.4766 110426.3438 416117.6250 584897.7500 53568.3398 289091.1875 426835.4688 61791.0039 240955.2656 223460.4531 156347.6719 166606.2031 27155.0176
Prolyl-Histidine Pro-His 474416.8125 451630.7500 514606.4063 32746.6426 46021.4102 49251.6719 72650.5859 82347.5078 68826.0312 90390.2734 162037.2656 146026.4375 263308.4375 314946 267256.3438
Pro/Pro/Ser/Thr/Thr 205454.7188 171977.5625 212440.1406 20948.8359 26325.2871 28017.6797 47921.1836 49760.1953 26064.9395 67233.8438 91645.1484 73325.4531 106069.6328 170910.8750 108600.7734
PS(16:0/22:6) PS 16:0/22:6 532528.3125 685578.2500 478595.9688 483120.4375 494618.8125 483652.9375 531102.5625 601839.1875 619433.2500 585362.8750 689745.5000 573116.8750 422473.9063 527896.3125 440912.8750
PS(16:1/18:0) PS 16:1/18:0* 2404608.7500 2511240 2279560 2015367.6250 2397859 1857105.5000 2425335.5000 2554455.2500 2325549.2500 2475030.2500 3111342 2824892.5000 1755628.7500 2169326.5000 1797327.6250
PS(18:1/18:0) PS 18:1/18:0* 6482596 6306879 6264666 5503608.5000 6014482.5000 5009381.5000 5846374.5000 5909133 5649982 6208792.5000 8018630 7382472.5000 5735049 6370856 5314615
PS(18:1/18:1) PS 18:1/18:1 3942758.2500 3679294.2500 3692495.2500 3065034 3488096.7500 2943999.7500 3293229.7500 3549727.7500 3287865 3596031 4737176.5000 4058748.5000 2977264.2500 3513602.5000 2808814
PS(18:1/18:2) PS 18:1/18:2 1351554.6250 1381463.1250 1232559.7500 929289.8125 1170712.8750 979684.5625 1295334.7500 1191839.1250 1161801.3750 1186231.3750 1622487.3750 1426773.3750 909373.5625 1117187.1250 1100845.7500
PS(18:1/20:3) PS 18:1/20:3 7544603 7642805 8313557 8691153 7586827 6647212.5000 6904069 7702019.5000 7089400.5000 8407279 9337557 8608121 7593057.5000 8547805 7633188
PS(18:1/20:4) PS 18:1/20:4 2312295.5000 2448196.7500 2521676.2500 2283691.7500 2434658 2140068.2500 2474598.7500 2462021 2270291.5000 2591190.2500 3131148.7500 2666759.2500 2238754.2500 2669303 2234681.5000
PS(18:2/16:0) PS 18:2/16:0* 481034.6875 608062.8750 465545.5938 386617.1250 531514.7500 484290.0313 487987.6250 540848.9375 492174.3750 440762.8125 756517.8125 595591.3125 373577.8125 399130.9063 379202.4375
PS(18:3/18:1) PS 18:3/18:1* 1023231 1110194.3750 1061896.6250 941926.4375 1178195.6250 867568.6875 1007259.3750 1143579.1250 1081019.2500 1096058.6250 1266770.6250 1138035.2500 789297.2500 998091.7500 857797.5000
PS(O-16:0/22:1) PS O-16:0/22:1 787810.4375 833253.5625 739214.5000 546210.3125 760800.4375 717339.1250 699061.8125 708248.8125 721622.4375 704269.6875 858902.5625 786928.5000 666790.3125 784378.6250 756511.3125
PS(O-36:1) PS O-36:1 3408849.2500 3492996 3698418.7500 3166354.7500 3615889 3071017 3201305.7500 3468530.2500 3203204.2500 3630445 3730084.2500 3721667.2500 3449331 3647109.5000 3580523.7500
Quinalphos Quinalphos
Quinic acid Quinic acid 48241.3203 56037.3242 71636.0078 141589.7031 49926.5977 44401.6602 30464.5117 42447.7383 39480.7422 87530.3516 57518.4766 63804.6992 50005.8945 60115.5234 71317.1016
Retinyl ester Retinyl ester 164116.3438 205513.1406 162964.6563 175557.3594 149796.4531 155631.7188 213055.6563 192656.6406 163638.8594 169287.8438 210590.4531 223387.2344 145356.8750 352294.3438 161807.7500
Retronecine Retronecine 92447.8906 89377.7734 109653.4766 64862.8516 123360.4531 72268.5703 98487.1406 126938.0313 113300.9453 115385.6016 90777.0703 70231.8984 85309.9375 89892.6719 106216.2578
Ribose 5-phosphate Ribose 5-phosphate 70114.8359 74027.4141 71149.3984 72009.6719 129037.3359 104585.6094 52791.5820 83890.3281 52391.1914 88045.7891 116212.5391 113158.3516 262582.1250 259968.2500 228885.8125
Rishitin Rishitin 857282.7500 1657031.1250 1897269 619098.5625 1942113 2550251.7500 1626247 1239243.6250 649945.8750 741756.1250 863702.8750 791215.0625 576639.5000 491362.0625 639159.6875
Scytalone Scytalone 110649.0625 119959.0391 115345.3594 79894.5469 157517.2344 90024.2656 118920.3438 111462.8438 116273.1406 96344.3438 89760.9922 110307.5625 108465.6172 111343.7344 116733.3047
Secobarbital Secobarbital 449989.6875 440295 491067.6250 338337.8125 270922.5000 273185.6875 430931.6563 442169.9688 500290.3125 497748.6563 471351.9375 446833.7188 446998.5313 435743.0625 501326.9063
Sedoheptulose 7-phosphate(2-) Sedoheptulose 7-phosphate 337699.2813 348030.5000 430118.3125 521375.5313 575460.7500 422731.5625 390792.5313 427121.1563 326823.4063 449736.8438 462098.3125 375771.5313 312448.8750 356686.8750 338552.6875
Serine Serine 167517.2813 217751.2813 235243.7344 363013.2500 186522.8594 152568.3125 123852.2500 194204.2813 147828.6406 254077.3750 190726.0781 200847.2656 130231.4766 158794.4375 182172.7813
Serylhistidine Ser-His 220279.8750 208662.6563 246168.2344 27394.1641 24275.7188 30558.5078 36320.2461 35856.8359 39335.9648 37551.5703 58140.2148 50792.1914 152871.0156 165618.2188 125021.6328
Serylserine Ser-Ser 101511.8438 99049.7031 114570.0781 31746.0586 44228.7539 41260.2266 37230.5938 50396.7109 41459.9062 49398.6719 71352.7734 49653.1250 61056.1719 73512.6875 61114.4141
sn-glycero-3-phospho-N-(palmitoyl)ethanolamine 149093.1250 190916.9375 213809.8594 155951.2031 166177.8438 144393.7031 217258.0625 157591.3750 176905.6406 171161.6563 207664.0313 187557.7656 74818.8984 99978.2422 81239.7344
sodium dodecyl sulfate 1524116 2174909 2336245.5000 1541473.5000 3824164 1943675.8750 1180076.6250 5838650.5000 2648086.5000 2303910.5000 3409806 1736689.1250 1105719.3750 1668374.7500 1780166.5000
Sorbitol-6-phosphate Pseudouridine 115931.7578 123740.5156 156138.7500 140567.0625 99463.7188 92050.3516 103201.1875 127866.5938 88811.5469 143773.0469 138975.5469 136185.7344 136884.9063 142913.5625 151429.6094
Sphinganine 1-phosphate Sphinganine 1-phosphate 120326.6016 123806.1328 126015.2813 233581.5938 211064.2813 187931.2031 138709.9219 139810.5156 104246.7500 189810.7031 181491.7969 203485.8125 202343.5938 277094.8438 313473.0313
[ST (12:0) homo-seco-cholestatrien-tetrol 794444.1875 862228.0625 1189279 490367.5000 493857.6250 532037.2500 501775.4375 511608.3750 481183.7500 674995.6875 767337.8125 522111.2500 1476500 1478283.2500 1381593.2500
Stearic acid Stearic acid 23339132 23084004 19116008 22999500 24164380 19664856 14879485 34141880 20956208 19822036 21838288 17727396 16608646 20649536 23151796
Suberic acid Suberic acid 218644.7969 128626.9219 142105.8594 208537.0313 114023.6484 92655.8281 134772.2656 135233.4688 159815.7813 200076.5469 210296.9688 109432.3750 155058.5625 85285.0156 53100.1328
Succinic acid Succinic acid 110846.8281 110382.7422 114514.6875 143457.0625 147834.6563 129490.1484 121823.0859 172520.2500 114199.1797 157635.7188 192940.7031 185892.8906 149966.2344 181898.4531 172693.2344
Sulfinpyrazone sulfide 153063.7188 127494.8906 137306.9688 104537.8047 104801.2188 88116.0859 158339.8906 114262.0625 119908.9922 105638.5078 142006.4688 92484.3203 64868.1016 74446.6172 54812.7148
Sulfoacetate Sulfoacetic acid 103956.9609 102671.6406 108981.2656 120136.6250 117755.5313 83912.8906 114025.4219 111077.7734 88079.1875 129098.2109 108877.0781 80121.5312 116982.5781 109708.2266 110075.4375
Threonine Threonine 288172.8438 306443.2500 208197 283413.9688 173595.1094 138135.7188 135043.4844 166195.3750 149399.0313 288495.1563 226041.5313 224223.6719 176126.1250 204183.7500 212599.2344
Threoninyl-Histidine 284522.9063 268156.3438 293237.4063 15421.9805 11579.5391 13223.2842 30963.3379 20870.9805 30976.9043 44097 61033.8555 45018.3203 299224.7813 358973.1250 289042.8750
Threoninyl-Serine 308576.9063 267237.8125 342818.4375 52176.9883 49735.3398 54310.1211 78782.9688 86742.7734 81283.1172 86731.7891 156906.4688 124017.6328 398454.4375 458436.9063 391093.1563
Threoninyl-Threonine Thr-Thr 575871.1875 561542.5000 624997.5625 42031.6836 46496.3711 48735.1484 76805.0859 54501.1562 59037.7734 79938.6406 121188.0547 80738.8047 491890.9375 656836.8125 507589.3750
Threoninyl-Tyrosine 39773.8438 46258.6953 49376.1406 21091.3633 88370.1875 108036.7188 86731.2188
Thr/Thr/Ser Thr-Thr-Ser 48725.1758 54731.3320 62642.3047 5487.2993 4778.9888 5746.2251 6526.3623 6135.3735 23702.4180 35363.8008 30581.2012 106161.6328 174188.5313 84341.0234
Thr/Trp/Pro Thr-Trp-Pro 223276.6719 215025.3750 279297.6250 19441.5625 32394.5371 19639.7773 417780.5938 501522.6250 370845.6250
Trigonelline Trigonelline 4203226 4719001.5000 3646236.7500 5781204 4351165.5000 4007166 4022914.7500 4994756.5000 3543580.7500 5689893 4927663 4944671 3667343.2500 4232820.5000 3892705.5000
Tryptophan Tryptophan 172911.0156 175659.4531 193019.2031 220600.7969 176907.6094 194691.1406 152266.8906 213829.9219 228559.2031 187491.0469 72868.9531 132815.1250 200785.4375 190569.3125 165244.4531
Tryptophyl-Asparagine Trp-Asn 67907.9297 70278.7266 86852.3438 34176.6914 16905.9863 64442.1328 105484.1797 71081.2656
Tryptophyl-Glycine Trp-Gly 18895.2969 22510.9219 38139.1914 81713.7969 105384.9063 77221.8828
Tyrosine Tyrosine 182193.4688 205808.4219 197942.3125 372307.4063 138814.2344 106598.2656 113433.4531 164870.5156 112784.1797 260765.3750 184303.6406 194000.5000 143103.1875 189442.7344 211534.2500
Undecanoic acid Undecylic acid 261688.0781 267114.0938 304962.9063 64285.9453 263004.4688 343735.1875 261978.8750 249906.6406 294996.2813 217212.5781 158839.7656 235376.8906 115121.6797 144846.4844 146526.1875
Ureidosuccinic acid N-Carbamoylaspartic acid 30131.8379 39679.9570 35880.8047 40220.5664 57424.0312 39479.9297 59856.9102 86819.7578 37734.8125 140870.6563 146398.5313 106030.4141 84153.6484 90886.4766 85601.1172
Uridine 5^-diphosphate UDP 69857.3359 61246.2812 84232.6016 21369.7344 36967.2305 32890.7812 57461.8320 55253.2930 42932.2031 37773.6562 54465.2852 40148.1875 32778.0039 31705.3438 26775.5918
Uridine diphosphate glucose UDP-glucose 197911.5781 192624.5938 230914.3906 110754.8516 141078.2188 119326.7266 164246.2500 207900.7344 128949.9297 150978 207298.8438 150341.2188 189283.7500 222747.3438 162576.5469
Uridine diphosphate-N-acetylglucosamine UDP-N-acetylglucosamine 120076.9766 126595.2188 133417.8438 762232.1875 993736.5625 831331.8125 100743.7969 115033.1875 78093.2422 108270.1953 147530.7969 108552.1953 1202980.2500 1398784.8750 1107963.3750
Valyl-Histidine Val-His 1643718.7500 1603789.3750 1793890.8750 77047.9766 93401.2031 103961.6328 174071.3594 192872.1563 140354.2969 193405.8906 290275.1563 247440.1250 1303131.3750 1512446.2500 1291996.1250
Valyl-Tyrosine Val-Tyr 918941.5625 845369.2500 728474.1875 169786.8438 138437.3906 106843.8438 242362.6875 214201.7813 198208.9375 260449.4063 110042.3281
Valyl-Valine Val-Val 1157051 1316237.3750 1268976.1250 33602.0664 124708.4375 37653.1641 164831.4063 110284.8750 1446871.3750 1623408.5000 1433076.7500
Vomifoliol Vomifoliol 70364.7578 113815.4219 207551.2969 132818.2969 143034 150471.8438 70458.6797 64898.5938 93271.3516 131258.2500 146218.3125 145225.3438 35265.7617 100968.5781 47852.4844
xi-gamma-Undecalactone gamma-Undecalactone 404247.2188 335674.5000 395368.8750 160110.0625 342602.3125 316691.2813 66139.6797 356098.5313 556841.4375 259741.5156 136395.1719 466376.1875 161727.2188 104107.6641 179325.9375