metabolite_name 1 2 3 4 5 6 7 8 9 10
C6 H10 N2 O 144929861.5 125854383 171196871.4 921912978.5 1159535793 1594323155 1119513752 1310494862 886486514.1 1348944808
C6 H11 N O7 15937433.12 14195332.21 10819673.65 201512134.8 229768085.2 224520622.3 267917133.1 215346323.4 223363298.3 236858828.4
C7 H11 N7 O3 2332508.063 2412496.061 2359145.913 622629891.9 740996020.9 634082389.1 659916931.2 606252915.4 785821943.9 608999030.8
C6 H9 N O4 S 454873.3933 425054.4425 394980.355 56603303.52 65222255.43 98460553.77 175243384.1 101152760.3 89430552.33 70655614.05
C18 H33 N O13 546094.8513 1164130 817446.6798 171577682 169788958 136285508.1 154928335.5 139332459.4 151310564.5 112237031.9
C8 H14 N6 O2 521800.5786 602062.6279 550946.9048 73376629.23 88663874.12 84390394.84 83989226.5 74141667.66 73918973.18 75819958.97
C12 H28 N8 O4 182856.2876 173785.0955 123564.1148 84703129.57 120543723.7 101701920.1 116272380.4 73087397.75 85829509.73 62634594.38
C11 H21 N O5 665298.256 1289520.97 702372.1102 91180266.54 66315416.21 64412804.77 139868882.9 85584877.16 71457609.71 94222996.64
C14 H28 N2 O6 437786.18 542572.7497 488181.2407 46051341.91 61255699.39 66125737.1 86248255.24 61931840.03 56985401.75 90794685.63
C42 H85 N5 O7 P2 126538.3747 175605.0077 88394.35802 17743846.51 56466501.7 52087325.96 50277011.74 73545789.63 67434277.78 35005058.29
C17 H35 N3 O7 P2 S 1015376.405 1050196.403 1026972.268 113012651.8 105950386.5 90272112.26 108092565.4 88418309.03 99263842.16 118710816.1
C9 H22 Cl N4 O3 P 2311225.158 3860558.072 2377478.694 91109635.68 66363770.69 39215315.61 69465606.63 63723160.36 64736010.26 70078410.05
C5 H15 N10 P S 350968.2298 364803.7381 343456.6043 57079194.52 75391443.35 60484434.65 68426920.24 52153278.48 53633715.58 68026900.96
C12 H22 N O3 P S 1188447.059 321230.7997 1476970.012 52921093.9 52215487.26 48152864.49 53830189.16 53325286.94 52991813.47 48541608.01
C10 H20 N2 O3 444810.6273 437933.4989 404187.514 21723671.45 6773287.974 7563994.741 97032483 18974419.54 7478450.552 28791419.51
C42 H78 N7 O6 P 144918.4554 181184.6847 91203.00211 14810163.02 44667106.07 39817045.83 40483947.86 65455207.49 52442622.99 32915294.3
C42 H66 N O4 P 1056742.821 247935.6111 233848.0937 16917701 35341239.72 26919187.22 23163394.53 44071441.49 34082377.08 28098589.03
C6 H11 N4 O3 P S 238979.433 233023.3158 234067.3911 32804261.98 38922190.21 40049542.47 57100226.49 28167825.06 25454381.56 20068626.78
C9 H15 N3 O6 200733.8578 1684478.68 190880.4865 70102051.37 72709509.93 70936805.33 65690682.83 68360295.85 70667627.43 68339735.22
C20 H30 N O7 P 1351927.886 1348712.95 1318887.394 114643235.8 106549089.3 113156066.5 105922155.3 100978273.4 110989886.7 98269745.32
C11 H21 N O7 4748228.88 7757730.612 132578908.5 44859538.46 36302508.78 44601682.27 42068828.94 51934395.25 43011769.25 3989412.816
C10 H28 N5 O11 P (1) 4322232.611 2826070.22 7251188.873 59243392.19 63661114.58 54435567.44 61481695.96 60381607.96 63599163.65 52784931.46
C14 H31 N7 O11 S 1040713.557 1051827.815 1135948.381 78699185.96 70212601.43 65625148.61 74710432.31 60238776.4 68623694.88 84115977.66
C44 H58 N2 O3 119514.4445 258178.6829 1163870.015 15668985.82 32413656.79 24093769.88 21312638.93 38125510.38 31170319.99 26657261.16
C8 H12 N2 O5 S 283704.9966 266764.3561 251351.8724 17419223.95 33662940.76 45599667.3 60481833.21 33266759.49 31559595.28 34753700.86
C13 H24 N4 O6 921702.4475 1032011.06 916051.317 79824170.27 75344295.5 78751598.62 76800638.96 76392345.38 75319366.65 73749887.95
C14 H33 N3 O6 S 163885.4964 159821.5796 116875.9573 50526668.9 74402357.24 73677340.76 67638440.51 35265234.94 39186774.88 55349058.82
C6 H21 N8 O3 P S2 346449.7741 413611.5917 339499.3287 34333602.47 48366236.18 31619042.92 34186018.96 41986294.05 42454480 40807878.66
C5 H20 N7 O2 P 418427.254 435663.9809 423078.3219 50302131.02 51459188.39 42092100.7 59385682.41 44634985.41 56117772.79 45971482.34
C6 H16 N9 O2 P (1) 6696697.075 1820765.12 3872548.479 81114169.87 61960043.59 67543819.7 87890112.52 65882779.96 59412564.83 50725306.99
C6 H15 N O6 (1) 516616.548 665457.4937 471988.8178 32643182.6 68702846.46 37352370.97 73274933.36 18728498.91 32312528.87 44295526.84
C15 H23 N5 O8 463697.5852 744421.8564 715919.0913 47021677.33 29701212.03 19573872.72 34113963.44 38616653.93 38260117.93 22977538.86
C12 H23 N O5 1438720.455 2756391.472 2057382.392 73608837.94 66019619.43 66969599.14 89165926.17 69418638.08 78868752.69 70365229.54
C7 H12 N2 O 8825767.471 14355382.25 6134673.474 37773929.48 45811989.44 62134410.4 47660562.64 50748832.69 33363220.72 58909503.11
C9 H19 N5 S 529682.8565 611157.3379 654723.8999 37860218.3 41466455.61 38443253.47 39079689.8 40424132.95 38989343.92 36184751.29
C7 H24 N10 O2 P2 305966.9838 347497.863 286552.6677 36537147.78 42897040.93 48003046.24 44741778.26 47576345.74 42164390.23 45882006.7
C26 H23 N5 O4 S 823544.4469 862690.7552 843613.1368 45708264.24 40329613.93 35799216.92 39721682.42 31522136.29 39949125.32 45816932.19
C17 H31 N3 O3 865419.9505 17740270.27 4153948.882 18138135.37 17256946.43 18355657.15 20970505.07 15510451.36 17782618.97 18041754.45
C25 H52 N O2 P 139825.623 172952.5053 58259.0887 18406590.66 12130092.58 14957859.54 34828213.76 21889412.94 23412240.83 28719941.5
C15 H20 N P S 1174788.567 2327384.756 2050428.44 22097472.27 56953077.14 42867459.58 48389243.04 33036464.91 25517530.46 69579401.83
C12 H29 N6 O6 P 971915.8278 1005245.445 983015.3598 50635786.72 45065204.42 37866869.09 47195189.68 42338416.53 46819091.77 43579545.12
C15 H23 N4 O P S 579188.7485 614674.0598 575637.6336 35646530.38 26344386.08 31787193.27 27058814.32 28860295.48 28846338.74 32928742.96
C10 H18 N2 O4 751668.3851 288564.9153 611077.5304 27259080.17 20493324.49 16450703.41 31712315.39 27484063.51 28357984.23 7982845.446
C9 H26 N5 O8 P 2763340.771 3206210.826 29915368.54 15914401.68 10329465.18 17997182.06 2234806.543 16916385 16465042.59 2451564.672
C6 H16 N9 O2 P (2) 1219427.638 1820765.12 2741290.869 32608088.93 21738990.61 24512859.93 29962635.58 23276595.27 27535347.57 19128421.01
C9 H15 N10 O P 337617.5259 347575.4224 332377.8939 34072398.12 36411202.37 34188993.56 38037755.85 31481225.38 35237983.8 44849804.16
C9 H14 N2 O2 S2 9512653.277 2350411.835 681720.179 21760697.45 22816835.96 23367288.36 25435325.86 23046906.67 21891728.72 21168147.37
C5 H17 Cl2 N9 S2 311180.8553 369675.2822 311343.6303 17725612.56 18359734.92 20490476.38 21559814.94 18399288.84 22634501.05 20632300.23
C12 H28 N4 O4 186272.2488 201289.3324 133689.1461 35680735.03 37100337.19 33441922.09 40967640.33 33346524.99 33010941.84 28949279.29
C16 H33 N4 O2 P S2 353102.3237 452508.3334 372779.0085 8719432.956 18021338.84 7991984.925 16019074.7 7630393.142 6662317.864 30764913.78
C23 H19 N7 O 803838.8681 842048.4927 823427.3591 32968453.84 26114603.65 20337210.02 32000460.65 25418794.5 22349496.56 28348935.06
C13 H21 N3 O9 732015.2729 1029876.366 835105.544 25530264.24 21400866.45 16754453.87 17497444.94 18726002.02 19820359.41 21816727.96
C5 H16 N7 O3 P 6186234.183 8678261.063 7794894.726 54931417.92 64696493.14 86874823.32 33453468.91 33499193.68 35972435.88 44288485.27
C22 H33 N O5 P2 518322.9593 1104927.661 775875.0721 33483622.07 35903789.2 26434413.32 32255457.66 29151843.37 30237116.61 24852882.37
C6 H2 O4 225785.103 129298.7975 110284.4579 16506700.3 20219152.83 19204427.3 21361840.46 17463394.81 18041138.04 20350640.52
C40 H34 Cl N5 S2 2687382.203 1647136.449 1966575.73 16234358.97 11725304.42 9929250.56 8549739.129 10969321.66 7342897.015 7700645.51
C10 H29 N7 O9 P2 6914649.326 5344006.209 9489918.341 26172530.98 29410484.91 21832246.31 14692097.93 20858576.23 23828787.59 31688168.54
C6 H16 N7 O2 P 627874.3889 821919.1979 658063.0287 15746605.36 44069840.4 27963020.39 36510281.26 25434168.8 25200947.73 44774042.66
C46 H65 N3 O3 95965.73771 126186.3741 794741.8572 6357895.693 9361392.698 9890789.97 6533331.217 13590816.93 12376069.36 697251.4893
C13 H30 N2 O S3 915161.5077 796850.3421 881576.0253 36662408.54 36151865.72 34295781.54 36811043.45 35071659.63 37098502.4 32087114.04
C4 H6 O2 S 1214924.243 1224549.525 1218097.025 29507052.1 29789977.53 26303048.47 36108015.41 36446144.7 26077563.22 40602832.89
C8 H16 Cl N2 O5 P 1146330.659 2658534.4 14740450.44 11210257 18991880.61 16888815.76 8509645.935 12218257.13 15011805.79 6302302.182
C12 H23 N3 O5 203065.3625 235192.103 175263.0366 20831305.72 19167072.9 21525121.7 21789567.79 19025041.56 19497205.71 20851240.86
C11 H15 Cl N P3 1235251.957 2403734.54 2872347.873 13490747.81 16507040.61 25889372.18 12990223.58 15241531.86 14771750.25 10692879.01
C12 H30 N8 O10 639574.8459 661507.5938 646878.9573 19145305.91 18694420.03 20021299.69 18685194.47 17914899.85 19196664.85 14172479.6
C22 H46 N O8 P 804510.1083 901168.0027 647939.9641 9851897.367 13111875.93 11694105.49 11093058.11 12654527.71 13473939.1 13099446.66
C31 H73 N9 O3 P2 108090.7109 135140.699 68025.82392 176650.955 1374727.954 925906.5326 1056040.332 1135991.487 504057.9288 534162.2433
C12 H13 N O7 3846705.225 3726049.462 4305587.611 14685088.63 15411666.86 16075062.64 13800410.49 15713556.89 16695320.43 16220434.19
C10 H19 N3 O5 158807.774 144773.7865 140684.9024 9962018.761 14713009.21 15248429.65 17743469.21 12057580.19 13858552.68 12652392.02
C15 H32 N2 O2 667716.4518 1179609.181 19984659.87 11651705.86 9569200 13480759.93 19180897.35 12527910.74 12692509.97 605537.7899
C16 H30 N O P S 646713.5845 1313597.943 980475.1266 11013579.15 14965524.34 18507830.92 12746685.24 13471002.17 12736043.3 10557969.65
C13 H19 N3 O8 1052662.803 730942.8742 994676.2532 15226354.15 14615248.28 15026957.92 13893185.82 14524579.35 15496704.53 15860039.09
C10 H24 N9 O5 P 439777.8732 439999.6653 835896.4913 12988965.09 13113170.83 11342760.75 13255492.6 13903803.36 13172692.15 12584270.53
C14 H33 N5 O6 S 206501.489 218438.9548 164251.3727 18984633.58 32031918.06 28663653.28 29542771.7 19756687.4 21735613.12 25961905.22
C8 H22 N9 O3 P 881454.6196 3694773.178 29752313.29 18139152.21 14697145.34 11286504.33 10912587.75 16526367.16 16481032.34 5779599.89
C9 H19 N3 O2 636036.9429 1291911.659 964288.3914 13327218.2 17504571.09 15878707.09 15190777.48 15633926.86 16380658.24 14219520.14
C21 H37 O14 P 497685.0921 637794.3062 525418.6753 13785456.6 15487599.19 13240895.32 16208603.99 11705799.2 10305656.85 19119759.74
C17 H42 N9 O P 1443162.657 709414.126 700032.2033 7987701.257 10212220.72 9204223.958 6692999.902 13234137.64 12219676.89 8132061.253
C7 H18 Cl N7 O11 S 234809.3173 270734.7695 219910.1205 7788324.007 9421650.486 8819241.69 6757795.941 9122725.68 7718341.828 10218919.42
C22 H41 N O 206606.6025 267220.496 142236.1351 7949771.87 14099623.74 7102622.471 10050077.57 9077460.298 10047309.94 16549177.61
C29 H62 N5 O P3 121064.949 151361.7747 76191.03283 3282296.589 3917667.951 2825869.083 11588533.44 4086994.464 3448991.349 5853245.631
C5 H4 O4 145626.5015 1357099.932 1097466.997 10998001.7 12147281.61 11639529.63 14549497.22 12099353.61 12719293.37 13966104.3
C13 H26 N8 O4 S2 1363503.022 740074.1786 964020.553 14403608.28 15464454.1 14389455.82 15581195.47 17281983.98 9880703.896 13995090.16
C29 H59 N7 O8 123805.1889 154787.767 77915.57585 2565074.074 3683522.433 2246397.334 10527611.03 3873629.822 2864523 4913618.337
C36 H68 Br N7 145544.8556 194112.2645 83864.77937 2305880.916 3404261.142 2265271.078 9727955.946 3940578.548 2565081.847 4305936.324
C13 H17 N3 O7 2915594.856 3056195.863 3059632.934 8273863.153 11556671.66 11167029.31 9839828.447 11230753.83 10734965.71 11584828.09
C32 H56 N3 P S 148544.3704 198112.6987 85593.13761 3370053.883 3969804.645 2894912.347 11813439.56 4968568.38 4135096.645 5977379.522
C10 H27 N9 P2 740987.4869 801313.504 736444.3536 18174728.51 16503003.52 16451611.33 16888317.78 20548408.39 19711404.85 15901891.54
C12 H11 N5 S4 117449.9431 101159.4337 88654.1992 7062259.311 9684785.897 9735893.414 10733107.4 5693852.412 7046650.739 8333652.215
C10 H18 N4 O6 S2 515867.3259 492733.371 450793.4491 25758125.02 35594412.6 25275445.41 24904350.04 19733654.66 23373693.65 27819579.21
C13 H25 N2 O2 P S 323533.2832 320811.9198 293986.0367 13931561.49 14375526.34 14470970.28 11670636.41 9234104.056 9535237.073 11937115.13
C21 H16 Cl O2 P 310556.6539 347672.3271 286696.5338 7026477.157 12557082.87 10604942.4 18015715.02 6266725.239 7231562.104 11968098.79
C14 H32 N O3 P S2 321606.6724 321237.3408 328777.2138 14869204.59 16590571.75 14248900.7 16639955.56 15975691.04 13348798.92 16806451.71
C22 H45 N5 O7 P2 207252.163 268055.4498 175128.1919 13529860.36 12783934.88 8555824.403 8873244.229 15159524.97 7171144.22 5505597.688
C3 H2 N2 O3 P2 266194.4282 289408.0701 242046.9722 17866876.05 19155218.06 18479839.08 17413813.67 19168595.93 18798491.38 19610454.47
C10 H28 N5 O11 P (2) 302687.9281 297381.1714 695769.5253 10231072.28 13313546.01 15222672.22 13894990.3 13341780.43 12963271.59 10728183.77
C7 H17 N9 O3 P2 S 158575.9967 153798.302 142660.1992 16765169.64 14036529.74 11924849.75 14177645.3 11402163.56 12314018.58 9409558.515
C11 H30 N5 O12 P 815428.8027 541121.2362 2668021.302 12699530.79 10937248.81 10558463.7 12729928.19 12522776.24 13162726.25 11695774.27
C16 H31 N O S2 243290.3425 366042.9777 247063.2049 7779445.726 7635397.135 5737004.935 7473991.097 6315397.099 7360661.381 10198551.47
C9 H20 N2 O3 259271.2278 277065.0152 231500.9805 13290742.46 12872181.8 14147816.19 11938758.58 11959594.71 12954605.26 12697988.59
C22 H41 N O2 206283.7117 266802.876 142013.8443 5214215.958 7888340.504 3574501.849 7351509.224 6283945.865 6008770.937 11173913.74
C6 H15 N O6 (2) 200884.8743 232666.6422 173381.0859 7640016.088 9637030.948 10432437.55 9483080.771 7701682.965 8038191.785 8040975.472
C26 H29 N O5 S 108980.7401 105981.1321 78216.38588 4484709.106 6667973.281 5547249.459 9703331.039 5319785.324 5074710.419 5755020.01
C20 H42 N8 O10 768240.9706 792115.0462 729615.7359 6498665.484 6616502.489 5380149.301 7194845.338 8095055.875 8813911.194 8000184.135
C42 H42 Cl2 N O6 P 1707830.4 746524.0061 948823.856 7775164.161 5512464.915 6087453.263 4861185.824 6031347.455 3360487.606 3968418.702
C4 H8 N4 O2 S 247617.2409 285502.2852 231905.3516 4719215.706 5670014.015 5255241.518 5171437.78 5248817.366 5471765.251 5196885.538
C6 H11 N O8 S 157543.6129 140565.981 119894.7193 7229135.488 11054723.76 11441937.25 12760100.63 6188181.31 7536659.576 10739952.98
C9 H11 N O6 S 370449.8862 363955.1196 323400.0324 8306310.1 10121831.39 10613105.76 11200774.01 9768040.809 10074102.91 10615842.75
C6 H10 N2 O6 1565588.979 4755673.908 1582881.101 8646670.109 6928905.273 13360749.64 7458271.852 7525680.639 8402140.368 11757686.26
C15 H32 N2 O12 154848.6438 163444.4647 143491.1084 6076145.632 8255202.395 7735744.031 8162803.682 5812581.177 7223467.077 6724089.241
C3 H9 N8 O6 P 210980.2726 243259.9189 197033.551 4980812.411 4948322.277 6435627.222 6630709.68 4671719.361 6183336.059 6033878.39
C8 H14 N2 O8 S 155108.4361 138393.2302 118041.4875 4431054.271 8950074.797 10679134.29 8655136.178 3508164.043 5280703.511 12125490.41
C23 H47 N7 O5 168912.4924 225277.5358 109271.8307 4269777.698 4815778.333 3700239.943 7755954.335 5335351.325 4676577.689 5552448.799
C15 H31 N8 P3 491595.4022 694824.4308 513074.0022 5139580.007 10384043.27 10623581.28 7810197.472 8768811.572 12436229.32 7442814.127
C8 H23 N9 O2 P2 247505.2227 267962.9543 234263.3281 4082970.458 5862239.478 6116972.63 5391156.393 3816452.53 4070935.745 5011031.38
C12 H29 N3 O6 S 146595.3229 142032.6926 112957.1212 4916334.222 9746539.994 9633715.076 9563050.851 6269978.397 8112161.939 5556243.766
C18 H40 N9 P 179218.2033 231796.9348 116839.5594 9189435.253 9049341.925 9098609.008 6160061.752 10690353.2 9787005.692 10559396.15
C21 H39 N O4 197664.8983 255655.4898 136080.3132 5040041.491 11996210.23 10788055.94 4630949.684 3013708.445 6336264.699 4667995.246
C10 H21 N8 O P3 S 161001.6788 149861.8921 142628.4426 3463361.542 5854732.57 5775165.781 7131102.615 4915757.631 4742096.12 5025557.463
C43 H91 N8 O4 P 391564.6226 425214.0204 352755.1501 4083905.401 11273212.99 12064019.89 10485901.82 17732528.98 17172516.57 8891809.692
C8 H16 Cl N6 O8 P 207845.8636 236058.128 194657.5606 3286500.431 2855099.538 3943719.01 3954015.753 4339680.876 4028767.279 2807882.558
C7 H14 N5 O11 P 202529.6167 193773.9766 188868.4508 2767790.453 2841711.228 3525249.534 4859042.32 2550179.679 2153723.313 1239700.453
C13 H21 N3 O8 310794.7431 217797.9491 162301.0698 5474111.031 7354223.089 7811810.867 6604043.272 5730662.229 5785212.403 6283646.985
C16 H25 N2 O P S2 478072.2355 506978.4022 462446.1119 11681635.55 8164195.098 11933411.74 10484910.69 9895841.122 10117067.03 9274592.901
C11 H4 N4 O5 S 129974.0982 123172.5549 98992.84743 3717502.805 5122608.441 4687003.12 6137091.255 3123636.202 3727040.711 5158853.944
C25 H47 N O6 172198.698 229660.3276 111397.7226 5802759.183 6162026.904 4920479.034 7003211.52 6865099.526 5674444.134 5686428.563
C11 H10 N3 O3 P 189109.8082 162112.7642 149220.2205 5022907.933 5221815.992 7293637.967 8027038.866 4787042.934 5494129.48 4407310.218
C24 H44 N7 P S2 390955.6394 423670.5494 368887.7477 3674031.791 7318685.171 5027801.383 2244266.899 7070086.439 8250528.938 3885845.206
C43 H71 N S 113492.2207 157500.0654 60661.4352 1111445.247 3723593.203 3715020.781 4836646.545 4262731.35 3157114.724 2551339.162
C4 H7 O9 P 375937.9001 193721.5179 156963.4466 6572633.655 8393096.285 8234563.876 6777908.664 8103543.071 5798956.482 9102758.943
C15 H35 N3 O7 S 129706.0987 122601.7238 97503.87406 4505999.846 5049375.674 4427246.558 5789151.928 4077194.387 4106606.561 4693905.204
C20 H47 N10 O2 P S 118262.4965 123164.567 87572.07083 3835075.823 6564340.357 4853235.088 5535925.793 3179509.621 4183241.982 2413831.79
C3 H7 Cl N2 O6 305205.1925 331820.7911 277518.9296 6944125.727 9248297.618 11927668.39 8437982.385 5490528.625 6651674.878 9897042.742
C22 H38 Cl N6 O10 P S5 305461.3904 296320.8877 297648.5717 1111557.585 4280014.828 5412870.415 5547805.819 4584928.584 3697800.147 3699112.983
C4 H12 N9 O3 P S 243787.9125 232309.091 223949.4038 3927999.702 5341502.928 7279443.797 6570805.387 5092000.781 5239961.072 6650811.761
C16 H16 N4 O7 S4 129235.3137 111310.153 97550.09617 2402264.455 2947084.033 3189297.257 4007112.401 2331143.93 2516453.934 2965075.802
C22 H43 N O2 189981.8163 245718.3582 123856.7919 3068423.943 4965162.259 3061311.959 3787210.764 3807740.895 4244314.626 4881633.293
C14 H23 N3 O5 162000.5781 140284.6604 111566.9294 4957565.818 3356418.463 6068592.545 4992907.816 4388044.236 6312832.507 6439294.538
C8 H4 N2 O10 P2 S2 246125.8334 267589.3817 223798.872 4814050.957 6796148.527 6949947.244 6325994.821 4155131.924 5349265.628 6491617.416
C19 H34 O5 P2 150578.0574 140159.4863 133394.347 3250582.098 4565873.732 4175685.136 4463447.393 3313978.257 3459686.205 3931740.483
C19 H34 N O P S 446861.6258 581376.5049 394230.283 6011241.304 6740155.744 6179790.108 5355793.752 6845861.194 6399453.375 5957502.707
C22 H54 N10 O5 P2 S 342027.4761 413731.5262 328354.4132 2520463.2 3503997.81 3089708.366 5836049.892 3609888.898 5331039.144 2679942.337
C5 H3 Cl N4 O3 116198.9112 100081.922 87709.88852 2593369.711 3116174.07 2887534.393 3830937.191 1785672.451 2563872.701 2978868.069
C32 H68 N9 P 110363.4709 153158.1088 58989.12275 595981.4783 2797676.127 2275923.138 3278257.596 2529351.431 1985368.002 2129554.976
C14 H18 N9 P S 506290.9688 632474.4395 1005871.461 5267828.721 4784061.778 4665493.907 4997105.005 4452111.986 4805536.213 4973758.25
C3 H11 N7 O10 S5 97904.59287 84325.05715 73900.87255 2438423.914 2121308.955 1501284.09 2635461.922 2010128.954 2581121.173 1919047.763
C24 H50 N2 O 140102.6741 186854.0611 266261.9941 2487094.771 3708437.175 2768076.252 3035854.295 2303428.26 2883733.454 332401.47
C32 H75 N7 O P2 118854.8844 164942.1604 63527.77154 518081.5634 2676718.744 2330191.468 2852494.141 2802738.656 1876873.688 879763.9837
C26 H50 N7 O P S2 236071.4632 263229.9901 171975.5828 3545085.292 2544345.2 1238132.089 2157712.887 3121378.533 1712486.377 911138.52
C8 H19 Br Cl N9 O 171057.8307 190736.9509 2383746.045 2708048.515 995920.7018 2969562.617 1974352.905 1961836.236 2475243.082 300697.6479
C12 H15 N4 O8 P S 140555.4993 131123.4648 104746.0506 2607516.909 3268576.585 3541612.007 3298381.593 2655283.917 2508702.828 3384065.873
C5 H12 Cl N O13 782621.9669 775055.9726 1208383.16 3254310.597 2585674.023 2529186.347 2700690.622 1992127.233 2545792.032 3127446.629
C42 H82 N7 O5 P 147289.0758 184148.5591 92694.92868 1582895.273 2186222.488 2972844.504 2398947.663 4125716.138 909319.5875 2249030.221
C19 H37 N2 P S 257836.1221 248278.0841 197452.9746 5887392.063 4821080.906 5616387.831 4805320.355 4318967.88 4290433.365 5188091.47
C6 H8 N3 O11 P 163798.5767 146146.8809 124654.9067 330365.2584 1894118.461 1987725.294 2436672.629 615732.5355 1185341.118 1575390.135
C39 H83 N O13 P2 100447.0363 124244.5141 41851.79136 527477.4327 449031.5449 1272878.354 667280.6566 1164626.774 565894.5602 638663.6075
C6 H3 N5 O14 106781.7462 95384.01971 81357.0978 556014.0084 531229.2707 372243.6156 417172.3573 442031.1285 334846.5125 371918.7207
Histidine (tail) 5224976.294 5900528.115 1901415.205 47612871.02 52164717.11 44667614.83 58784729.09 35470769.02 40988823.8 49097848.48
(+)-gamma-Hydroxy-L-homoarginine 208164.1135 178446.9043 164255.3351 5476642.465 11840522.28 10240443.55 12424348.74 6898551.124 6756186.503 12019625.21
(.+/-.)-1-Amino-2-propanol 567975.9381 1123364.182 786583.9606 567278989.8 238320883.8 511153638.3 500806214.7 506475389.7 645680887.2 181134036.6
(2R)-3-{[(2-Aminoethoxy)(hydroxy)phosphoryl]oxy}-2-{[10-(2-hexylcyclopropyl)decanoyl]oxy}propyl palmitate 176800.5396 235797.7751 101874.6983 36453409 77506643.88 89453663.08 63594130.49 111095328 87404491.73 79092528.7
(2S)-2-Amino-8-hydroxyoctanoic acid 592523.2874 567456.0839 545555.723 10104671.36 16022335.18 28122935.13 13893187.4 13618059.21 16950462.26 13083994.1
"1,4-Dimethylimidazole" 4272603.042 17350198.85 3097935.407 39435154.74 59222651.94 70730502.4 60170849.3 61655927.63 49945420.13 58880792.71
"1-(beta-D-Ribofuranosyl)-1,3,4,7-tetrahydro-2H-1,3-diazepin-2-one" 13962799.73 13174472.57 6248788.001 55117471 68298813.17 76888070.84 77458690.92 66150929.29 69428469.83 69266014.37
1-(sn-glycero-3-phospho)-1D-myo-inositol 189685.1228 206180.1715 172439.166 11500459.76 13047739.84 14254931.18 15040417.32 12842713.5 13443210.35 13100572.01
1-[(9Z)-hexadecenoyl]-sn-glycero-3-phosphocholine 1015809.418 1025084.823 804614.0492 40433541.17 48399759.81 44192992.08 33356953.31 59817186.01 52800428.51 41777786.05
1-METHYL-L-HISTIDINE 37753556.64 18475328.87 16365707.74 1268196380 1197255628 1061555337 1348419609 1161998439 1159365476 1330030643
1-Methylguanine 894392.6023 1132333.954 1039718.822 135519587.5 125421591 150636653.7 135788639.7 145736626.4 138458465.6 149403901.6
1-palmitoyl-2-oleoyl-sn-glycero-3-phosphoethanolamine 76677.48527 106410.0153 40984.00995 325554.7103 995232.9778 1084724.44 920492.4215 1358889.128 635718.1562 671775.6221
"2,3,6-Pyridinetriol" 3941747.746 4928816.731 2960845.927 14367414.39 16439770.27 20044926.04 18389473.94 11854417.46 14270930.53 19958582.59
"2,4-Diacetamido-2,4,6-trideoxy-alpha-D-mannopyranose (RT = 6.642)" 9994605.996 67944145.82 15705414.78 82132756.91 73279124.29 105419199.7 87906114.1 74686777.44 87178224.73 86100526.14
"2,4-Diacetamido-2,4,6-trideoxy-alpha-D-mannopyranose (RT = 8.138)" 1384161.479 2162043.228 603732.7432 199313275.5 218808400.8 225123853.5 246145735.4 234353626.9 259825707 199508476.3
"2,4-Diamino-6-nitrotoluene (1)" 7186393.946 10377837.13 1392842.697 126788616 138345633.7 94890857.37 162999543.5 94655617.99 135045169.3 123971011.5
"2,4-Diamino-6-nitrotoluene (2)" 12206900.29 15103088.06 1109111.467 86872634.15 71600298.79 57770373.08 111901711.8 59849897.24 69682022.68 61453990.45
"2,6-Diamino-4-methyleneheptanedioic acid" 24165852.9 341706164.3 86302490.59 281582516.3 531591911.8 534327815.5 505211559.8 224510241.3 452224874.9 504300872.1
"2,6-Diamino-7-hydroxynonanedioic acid" 264963.8381 962645.6651 236302.2891 6721299.619 9459608.183 13375853.4 8947770.874 6882461.739 8213604.569 14974185.21
2-[(2Z)-2-({4-[(3-Aminopropyl)amino]butyl}imino)-2-hydroxyethyl]-2-hydroxysuccinic acid (1) 574210.5681 678427.8877 606208.5459 33156054.39 38927488.08 43335841.5 37744332.92 37318569.37 42234613.74 47332827.1
2-[(2Z)-2-({4-[(3-Aminopropyl)amino]butyl}imino)-2-hydroxyethyl]-2-hydroxysuccinic acid (2) 195197.7035 208594.1242 174290.2988 2568237.398 1935830.504 3167282.99 3240055.028 2486328.051 2691713.567 3134446.522
2-Amino-4-methylpyrimidine 25484255.37 5962660.55 307591.7386 184918861.3 141263556.2 116671447.7 182638904.7 127396613.8 151882632.3 182687029.7
2-formylphenylformamide 10836168.17 6049626.501 6967307.283 221592317.2 218393780 190612340.2 190149452.6 196652299.9 221180734.6 212191961.3
2-Hydroxycinnamic acid 360688.5963 466896.1224 736666.6745 187552964.7 177370293.3 136409891.7 183115891.1 145258823.5 143360270.9 241092156.7
"3-[(1S,4R)-4-Hydroxy-2-cyclohexen-1-yl]-L-alanine" 503899.7319 742452.3345 599445.7888 27624871.36 33817321.28 36997542.82 38574698.98 32095424.19 32249364.09 32694902.57
3-Buten-1-amine 3070324.266 805455.7217 9633053.65 325275203.5 343914951.4 297586307.2 359024914.7 317028866.3 338156096.2 301233534.7
3-METHYL-L-HISTIDINE 37369183.83 24216409.57 16365707.74 634239747.1 751427588.4 529453939.9 736290718.6 553742586.9 610900093.4 684399122.3
3-Morpholinopropanal 1575906.388 1651195.422 209411.2013 13315154.39 13679378.51 13999464.96 15144439.12 10882354.11 11348373.94 12801288.4
3-Thiomorpholinecarboxylic acid 325094.5043 333237.8402 315459.8163 33714133.85 64478443.18 46513370.88 38754808.42 28827382.1 35300926.98 34752950.26
3-ureidopropionate 1190132.164 446313.0976 412060.6142 153227669.5 107988692.3 144104222.6 128496840.9 156515169.2 150715201.3 95182601.58
4-(Methylthio)-2-oxobutyric acid 744356.3916 795225.1661 764534.301 168705899.4 193139484.5 211809770.5 179247796.6 130181034.9 160817112.4 213975059.1
4-Hydroxybenzaldehyde 377204.5561 1769604.009 2740535.907 41580868.54 42495903.25 28408906.51 41271613.15 32798877.95 31894300.76 51631705.51
4-Hydroxyphenylacetylglycine 205693.113 201847.5249 180206.6084 9300018.039 10260331.89 14176171.73 15777050.36 7966840.25 10189138.34 12840684.76
4-Imidazolemethanol 7262249.974 68914115.83 23823682.8 99666792.64 97311203.97 106689140.9 97251278.09 100708504.5 103828195.1 105902890.6
4-Methyleneglutamine 34104969.58 36897133.33 29112776.52 463541970.6 487167750.4 470190530.9 423694253.7 351885585 366288150.4 404536925.2
5-Acetamidopentanoic acid (1) 1515684.254 2635229.363 722120.5987 40664132.31 44009230.3 47981920.05 57137735.25 44474454.33 45151465.55 46625237.84
5-Acetamidopentanoic acid (2) 1443820.992 2635229.363 1394767.663 31256223.18 38836244.17 41975657.54 43819953.86 38213889.89 35467263.98 40931311.02
5-Hydroxyindole-3-acetic acid 1934146.034 2532290.843 1890112.723 17070302.91 42143119.91 29726014.27 35486085.12 29669005.29 27150730.47 60411352.6
5-Methylcytidine 4944694.246 8129773.879 7600092.574 109292970.3 131016201.4 127054256.9 123458243 136588197 130912238.6 140736152.3
6-Methylnicotinamide 11412609.68 11783149.67 8453105.903 82459051.16 62867490.39 53870660.64 68353788.66 61553307.24 70907419.55 32944446.75
Acetylarginine 359236.6285 362776.7562 343422.8501 35129197.2 36371351.16 38414473.58 31912714.67 35928666.54 39654589.35 32224748.09
acetylaspartate 593841.7911 466212.819 3493233.538 19635297.44 16061530.31 15456790.34 14022430.3 13893751.4 14713198.79 15750848.02
acetylcarnitine 5787703.047 2478433.053 10146269.15 8084680371 7663519192 7677906801 10434931097 7216988852 7308672916 7851500916
Acetylcarnitine 3413633.019 4390066.366 3721680.306 112145641 105550789.6 98525760.82 97602168.52 103980516.6 116056481.8 70470334.45
afegostat 7230565.815 6183303.559 9020357.835 485502502.2 469575617.1 446475764.2 576242780.7 497303425.5 490549478.1 561712339
Ala-Leu (1) 623560.5259 542947.2439 600676.4985 51830769.91 104741003.5 135116459.2 158151587.1 100138230.9 111707835.4 138806128.2
Ala-Leu (2) 364542.2571 374704.2456 345938.7739 50892272.62 68965689.18 57385681.15 60162291.7 60954838.37 53098015.53 52143456.14
alanine 42609165.6 37115941.41 52660913.33 1702758728 1880985265 1887151166 2012214806 1910832126 1791086927 1806240703
alpha-Ketoglutaric acid 652014.7125 650478.9222 426199.6917 14239277.11 18011551.57 18541181.11 19302120 15516685.59 16533502.01 17079560.75
anthopleurine 634154.7023 904777.4637 642565.2057 37313404.08 7010194.105 10342288.44 126161246 34714685.62 7916394.601 52882641.16
apronalide 4750549.651 6154152.863 2957495.259 61849679.02 50677666.67 85623631.68 88644320.11 74930836.42 71252986.7 67397582.04
arginine 31130810.45 26495254.1 17641470.88 9020626013 10486058844 9887056852 10422943455 8086917018 8605897567 7722758090
argininosuccinate 231376.6485 220482.2147 212548.12 98409357.82 105035132.9 108221478.8 118710031 96707957.92 107865519.1 86600706.45
Argininosuccinic acid 383281.0476 366092.8947 334932.2137 713510.0473 3594984.489 2289886.019 5002362.742 2295144.068 2512574.274 1989006.522
asparagine 4289396.68 313155.4991 507979.8887 191675549.5 185790373.3 147374453.3 177519271.9 141384181.2 150264194.6 165463755.6
Aspartame 412105.7041 410574.3348 408410.9019 67312396.73 69897995.02 64561631.64 75058551.01 63571112.16 81111670.46 92324480.85
asymmetric dimethylarginine (ADMA) 329066.9355 329833.5451 402640.6008 2421829952 2920011499 2957024754 3368587816 2510118396 2729665676 3077039666
b-Ala-Lys 253757.6068 217531.5361 200231.6347 5785307.932 8835854.92 9693640.276 8628877.632 7351547.084 7536414.847 4792645.219
Benzoxazolone 1029248.332 925123.777 2325891.247 28225964.35 20807268.38 24958847.65 29026927.6 22137131.99 26405549.89 12605465.97
Benzyl butyl phthalate 257911.2544 255655.6804 245531.9095 4827717.627 33045791.11 7077839.473 4185405.88 4145366.301 4347788.785 3874214.856
betaine 441902150.1 427534702.4 496087579.4 44748437672 50356449878 51649384585 53104114965 51071456158 52358603747 58411921335
biotin 1059377.637 1095706.556 1071476.006 110869594.4 90062333.59 81089134.76 115007966.2 93317249.37 86966911.55 92100230.14
Butobarbital 16649714.33 16135150.33 10256940.73 59486478.1 70107796.91 79935502.84 76768475.18 74669056.92 76291381.27 78331613.97
Butyrylcarnitine 2640260.943 3210081.536 2790923.021 780344316.1 819114433.3 852079659.9 1135460419 731767336.9 817691138.2 736714264.1
C5 Carnitines 2545687.069 2803071.056 2479525.842 229022510.3 195216701 181969239.3 360276117.3 178327803.3 220975126.6 129018160.5
Caprolactam 1646925.856 38235874.72 6628774.584 53980704.27 50234122.2 77215696.91 61449752.47 55978715.06 76932423.05 73005374.61
carnitine 5018074.611 3170326.882 20375314.71 28852001533 29988832777 29587131373 37035557444 32685523654 32292298989 32446826103
choline 5739246.538 4684998.845 15685133.71 8213521139 4788119974 4296169286 5057840834 8091169045 7704035015 4820997004
cis-aconitate 2388166.892 2296024.418 1795440.589 15952529.22 16956239.3 16335276.35 21253923.29 17061139.1 17577354.94 19110464.13
citrate 3058040.129 2631308.027 1819624.46 26815869.25 31365289.24 31854887.86 36247788.85 29356270.94 30675808.38 31347215.78
citrulline 9871374.036 8093484.274 7426389.206 1056633071 1072645025 1035842465 935166328.7 789088154.1 839498969 893461249.6
coformycin 516979.285 244059.8313 222392.0209 54511595.9 64557207.62 59586219.64 67955599.74 55203193.14 60018125.32 63408904.11
Coumarin 342280.4582 391519.2061 350027.5363 20430616.41 18441904.07 13253182.18 19811403.26 15523787.7 13682116.41 24798558.62
creatine 21562734.89 14748914.49 102330197.2 30741490267 34057281111 35666921860 37583438854 34677511909 33127504159 36072388605
creatinine 44104300.56 62862483.92 32188075.01 1673576689 1798611482 1753315648 1804665671 1666684290 1641835038 1752370811
Creatinine degenerate 34356397.91 41001427.18 18328172.47 234422320.4 254806776 134431993.6 281520305.7 261022746 250944266.6 278386562.7
"Cyclohexane-1,2-diaminetetraacetic acid" 6964407.912 8148116.823 8359214.949 30312211.75 34543897.75 29596307.94 32304365.48 31829426.51 33446678.91 32428345.69
Cysteine-glutathione disulfide 192400.6081 192848.8335 188015.1232 41600281.67 43177271.98 40002838.01 39548231.88 36607648 38700698.43 39960256.34
cystine 288134.2252 270934.3545 247025.1432 56710417.53 64867756.84 51647883.55 64200801.28 61565492.46 58853643.76 52348348
cytidine 741490.5794 1250511.232 3132562.609 624687888.9 366219795.9 200570811.1 414253990 471903537.1 435575705.4 293152538.4
cytosine (1) 4451293.428 7166866.058 2674230.305 337708489.1 198246546.2 109081260.9 226706480.3 252361839.4 237559332 164273079.9
cytosine (2) 5128908.575 6071144.635 10572221.37 186525378.9 217758220.6 245147709.2 196021192.6 187525758 213117010.2 260829563.7
Cytosine degenerate (RT = 4.142) 11832806.35 58999625.31 22701606.99 113002484.8 116220670.4 122489822 121090960 119149382.1 123256554 124140497
D-lysopine 409928.1283 515663.0201 379208.066 18486599.36 22586925.67 18794070.45 19164432.65 18955928.35 18579516.64 20537741.54
Dehydrocycloguanandin 286814.6509 278232.1256 279478.7618 44853567.3 54585441.77 56807276.38 50736764.8 38788855.21 46991326.98 60461171.71
Dehydroglycine 721556.4774 770867.1224 691861.6323 19521407.45 21867975.14 24541054.94 21320909.59 13134439.85 18586232.85 24242997.37
delta-guanidinovaleric acid 722567.8486 1852100.715 316307.6117 57261894.51 59080565.88 52822682.58 48704230.49 41257095.92 55197571.1 44019409.52
DEOXYCARNITINE 432040.6734 457938.5738 1228831.332 413789740.2 421856949.1 433908269.5 608946239.4 384161575.1 374452213.2 642223014.8
DEOXYCYTIDINE 9075238.288 9748001.897 7505404.293 74114372.88 86984383.66 96463586.07 80971871.53 74389528.3 83525117.33 103840591.2
dimethylformamide 19627163.85 18804746.69 17374508.22 90021904.59 67795208.83 69471094.29 56156867.7 85672397.42 75654950.3 44934954.79
dimethylglicine 73866538.3 67380589.82 63569544.1 529271185.8 465107195.9 529990742.2 546967808.1 450536618.7 493158731 487068950.5
"DL-2,6-Diaminopimelic acid" 2864354.405 11221417.46 4739094.043 190477563.2 176120730.9 177266840.7 163568282 180101098 177453980.4 161983871.5
DL-Stachydrine 1500166.125 2183922.239 7793244.018 4114512622 5652057974 6521986821 5013520978 4651784497 4837514449 5017279996
epsilon-(gamma-Glutamyl)-lysine 236607.5924 278876.3017 307631.0075 62826372.91 70897081.98 67452357.75 72294119.43 70191360.79 71244984.24 64027845.56
epsilon-(gamma-Glutamyl)-lysine (RT = 11.658) 189472.6412 181499.4331 170860.584 170692397.1 209182338.2 204027469.3 221537038.5 170935343.2 187116736.3 184657919
Erucamide 2303837.784 3870673.844 1692899.932 30012709.72 72161527.15 35623678.53 42872006.35 33083088.96 37479876.06 64833909.34
fagomine 4253269.88 4102358.135 6104389.803 214787477.4 221353162.9 184446648.1 241730665.3 192343496.9 210795964.3 204728738.8
Farampator 715077.4575 1135983.929 803240.1712 419248866.8 920985816 471544088.5 997977179.9 650065648.7 687315362.8 1049084580
Fasoracetam 1323052.696 20844836.52 4228317.935 31549015.65 25769881.48 40894878.76 35401974.68 31366448.23 35728410.2 39241607.16
Formiminoglutamic Acid 13928511.23 15295156.43 21844500.36 185624471.2 709469176.1 579034107.1 1015272484 411163243.7 478308286.8 656420798.7
Formylisoglutamine 8562017.378 63717927.58 3924867.294 115824817.6 140059239.3 263071787.4 106751724.8 76501171.39 108420734.6 163681108.1
Fructoselysine 4383536.653 4034031.726 303886.1924 84677231.81 135580146.6 132529171.5 152472875.2 113085173.7 123355927 113236119
gamma-Glu-gln 385028.6943 532779.7586 1191340.536 1224847940 1328880318 1246260363 1305682131 1021595626 1128480237 1291912013
gamma-glutamyltyramine 2977701.194 2970109.584 4911950.552 14402672.9 14495813.96 14441350.7 13034320.29 14557593.07 15150397.03 12495837.2
glutamine 17482097.17 28393474.82 89665623.82 14784264170 14556076785 13194869561 14716964185 12647176287 13400331273 14115096228
Glycerol 3-Phosphate 301074.402 319278.569 291233.5757 31085648.41 26811268.13 23329347.55 23300359.37 20039486.21 24822840.5 21940002.44
Glycerophosphocholine 7390231.418 5246971.429 33281296.06 1016137873 1038128489 1030991233 1199863906 804284083.3 906502247.9 968778389
GNK (1) 246036.9031 238066.6445 218595.8829 34681345.53 58359374 50084373.3 54141792.37 34763796.41 41478547.89 51558377.67
GNK (2) 198093.2883 186108.1246 183994.1268 3130691.905 4338555.238 4213974.065 3747047.771 4265321.712 4102557.627 4694298.1
Golotimod 479238.5852 458963.9877 441250.7633 60131191.71 106299386.4 76489486.61 89594861.45 70418994.83 68133197.95 121426895.7
GSSG 157241.5158 138651.3396 123001.206 4622479.288 4357131.517 3649713.112 3585111.79 3443175.218 3950360.702 3632481.215
guanidinoacetate 430870.864 245273.0717 1296891.196 121854613.4 136803682.6 140728136.2 158788617.3 98677381.37 112618609.3 151495608.5
GUANIDINOSUCCINATE 265919.7218 261257.5892 234685.6117 20415744.32 19687643.83 22375196.46 23395993.78 22683831.31 21603411.58 12948200.06
guanine 496351.3511 708167.1316 2165065.235 88288487.52 59241356.32 40233778.95 52781730.89 62922876.92 63959105.58 51448908.28
HC blue 2 1214382.87 8848350.463 941421.1568 70881396.51 49248189.64 49832050.74 40956349.34 49361774.9 56094749.85 49550216.67
hercynine (RT = 6.761) 3400121.304 6858323.812 874437.7036 31807405.93 36648585.2 32287133.05 38557825.25 50987977.71 48133157.23 50877007.29
hercynine (RT = 8.876) 4170888.052 12880895.56 414325.1641 40320042.59 58732986.15 52542852.63 54412255.75 54113871.18 54739027.31 67183534.36
Heterodendrin 498085.6906 439691.6976 453765.72 9393024.247 9835832.123 8997450.177 8812144.098 8947858.333 9576377.202 9417897.459
Hexadecanamide 449979.9017 408084.0697 362098.8088 104996238 106649305.6 126168328.4 20847941.24 339526725.7 233827024.8 10142564.03
histidine 56784410.97 119550795.8 17558587.92 4817799820 4784790219 2934297574 4703525868 3367275136 4036269948 4682481136
histidinol 21921999.7 65306696.01 17772233.74 86377822.91 80012885.89 97911334.09 80471058.98 82920575.78 94674135.04 94376553.31
Hnv 1376196.575 861363.7434 1923592.978 158829011.9 142795008.4 144650182.9 174823227.6 135614799.5 148493674 132884983.7
Homo-L-arginine 2268769.659 1217874.409 315535.6744 1831816385 2552352166 2309884580 2682003365 1928823973 2098073860 2410178067
homocitrulline 1444553.96 315304.0557 1311548.608 221481352.3 298771947.8 178746610.1 223237793.4 233232535.8 209691905 221918256.3
hydroxyproline/5-aminolevulinic acid 35151698.03 26421020.76 32259934.55 120821655.6 115972915.1 114720165.5 126610223.7 116465680.7 120506839.2 110933469.3
hypoxanthine 879116.601 1236834.044 1002923.265 1240169248 863751590.6 509243839.1 769153957.7 835126672.3 854182391.1 748541310.1
isoleucine/leucine 4582902.61 2180317.65 6298936.223 5235566738 5390372642 4350510537 5336577032 4600533486 5061940876 3268721575
kynurenine 1280692.296 8905029.719 6106546.049 124638687.2 295181645.5 215534661.4 257620705.5 205432709.5 185129753.1 443276559.1
L-dihydroanticapsin 5579862.429 1089333.143 4495207.776 189533312.5 176732978.1 192044126.5 182482854 178200926 185994060.5 160984772.4
L-Ergothioneine 314045.293 321911.8558 304738.0658 26408197 34136608.33 29878078.78 37090568.01 30707444.03 33617467.93 26335449.39
L-Ethionine 239772.3951 238691.5588 223342.2966 106583343.9 88330773 86848590.09 96796611.29 85968351.14 79386893.46 107253011.9
L-Glutamyl-L-alanine 54303752.81 60935707.48 54080752.43 346136517.4 389290436.1 391710905.7 354992237.8 365703835.8 342569556.2 337574815
L-Hexanoylcarnitine 2966242.358 4370650.611 3269130.665 29531435.28 46766023.18 47244598.82 73622922.85 23620520.9 50153819.81 57144787.11
L-Lysine lactam 5521764.664 5498397.899 2213891.018 128113226.4 134684422.7 129604700.3 143980923 113687892.1 116190518.9 114962018.8
L-Prolinamide 4254320.246 4729717.642 1526077.125 56227625.9 89004271.79 93606779.57 94350143.14 60863706.92 77708479.57 58518645.36
lentiginosine 1767328.331 1228512.437 1201345.006 1672741518 2375189220 2595434473 2078880338 2084459747 2175952826 2258419088
lysine 25992334.72 20922058.01 9510357.984 8655382625 9192859116 8545306339 9804712277 7866890763 8034603871 7778531078
meprobamate 434172.7567 419051.6764 384281.0346 13263451.03 17172087.02 12885996.9 16998019.87 15279394.62 14600781.26 11982991.7
methionine 755226.9184 1053832.524 1216899.027 2783711046 3967800944 3218610894 3289260230 2162596969 2183265479 2748672637
Methionine sulfoxide 5295337.495 2112143.864 6639550.494 3635564820 4105060512 4497069971 3905537921 2848559710 3547028003 4521331503
Methohexital 726449.6552 813728.9737 687927.1522 9918865.767 19749934.92 11367867.5 19131176.53 13638699.14 13329867.6 15859202.07
MFCD00036904 1048606.55 911334.1155 828072.472 215321038 228887362.6 231117335.9 163602635.9 333418284.6 297190536 215993144.7
MFCD00127891 (1) 674652.3884 681641.8998 634925.2719 236403293.1 170366121.9 175574601.5 166816517.1 178058035.9 185484883.3 153226493.9
MFCD00127891 (2) 278599.7867 1132301.497 223083.3016 40852735.1 48119814.31 51038503.72 51914743.93 35236626.39 35384905.05 49892275.1
MFCD00133435 590544.009 601408.3244 554248.0585 50029230.41 136161822.1 83794238.18 78436392.65 136451931.3 151555969 79686395.26
MFCD00135289 163036.003 237488.3578 102605.1022 91066987.79 259562998.6 271250239.1 305713871.5 382917308.2 310022170.8 218584369.4
Midodrine 399132.405 416659.9497 403568.9992 12508688.95 12158845.37 16750737.79 15025825.07 11791432.79 13348024.01 9637083.478
"N,N,N-TRIMETHYLLYSINE" 262214.1043 233956.6938 707527.8195 844470314.3 916641746.2 1051818232 902734303.7 793408339.2 826258607.1 828040985
"N,N-dimethylarginine (RT = 13.597)" 240013.28 234200.8848 186940.3993 56062835.32 88085123.08 87785800.31 100694841.9 58091834.12 60305790.32 91444385.56
N-Acetyl-1-aspartylglutamic acid 3196214.819 3744048.104 3639189.32 51292687.36 49274261.29 54782873.02 47481868.97 43702484.94 48160611.59 50135710.07
N-Acetyl-L-histidine 6175144.494 7868454.084 821649.6272 46322772.4 46474903.75 53127281.84 53772767.75 48352768.33 46946804.24 46349720.88
N-Acetylleucylleucine 587748.5441 1213574.751 905817.3885 7192294.468 22591145.86 27385424.19 17732941.38 14881869.89 16189075.86 15711036.06
N-acetyllysine 414808.507 433024.4538 502775.6885 180617427.7 155832800.1 150328992.6 153846624.4 173164361.4 165246642.8 180242161.2
N-ACETYLPUTRESCINE 724984.2257 727079.8592 1293629.603 95398488.7 95120680.81 90791621.91 87958265.57 100602130.6 93581531.47 95128587.17
N-Benzylformamide 374698.0964 428600.283 398216.0967 126010730 122461382.2 93689625.66 127789356 96632799.62 100473202.1 160928632.6
N-Propanoylimidazole 117124998.8 117723914.2 74677579.74 241651960.5 433148462.9 532561838.9 425791031.3 453769835.4 230851875.8 469581692.8
N6-METHYLLYSINE (1) 2356120.017 1262337.299 395365.8393 1856439124 1817616910 1889108176 1999498881 1528460322 1600315754 1741994395
N6-METHYLLYSINE (2) 366693.2465 325827.4739 327287.3639 42276350.67 36672299.82 36687264.19 41853952.46 35630746.69 36308163.02 43077572.83
niacinamide 52553695.82 52504139.03 48710226.44 539733051.7 517526934.4 391185159 488614151.3 731562639.2 722040238.3 398173435.5
nicotianamine 1997268.214 2730888.089 700020.8266 17917047.82 18707787.34 22175317.29 17762359.66 19224651.07 19956938.97 19407895.25
Nifedipine 824554.7952 3436549.734 792441.4724 3507759.501 2773722.672 7789218.077 2775524.723 2685664.62 3931683.294 5808509.635
nitrilotriacetic acid 477337.365 282151.9033 188661.9635 23044984.68 30608907.63 31626930.43 33525677.67 28595177.26 28141854.7 24628684.49
"Norspermidine-2,3-dihydroxybenzoate" 268972.5143 257043.5233 241976.5493 3902726.89 3230404.26 3938218.002 4560602.187 3935523.077 3773812.473 4438063.118
NPYR 5697490.529 6899317.44 766098.7016 78091407.27 76799284.69 68671809.22 78196200.76 61802114.75 67303234.75 74291003.43
Nudifloramide 26140988.2 38027415.32 20647423.88 403975785.7 319017068.3 370174007.8 413848344.6 371758253.1 386124974 237079546.9
N~2~-(1-Carboxyethyl)-N~5~-(diaminomethylene)ornithine 694280.5335 644198.8577 659015.9416 26028789.17 23797490.71 31786258.88 34120537.59 27388679.43 29847827.61 26162870.53
N~2~-Acetyl-L-ornithine 3779348.472 5416907.913 1661810.609 1879819627 1929386491 1888277549 2140216291 1825051375 1678971168 1588665153
O-PHOSPHOETHANOLAMINE 249376.2207 246859.0633 235811.5707 24803609.35 16500525.45 14722310.77 14200263.97 16296318.16 16870570.11 18042175.65
ornithine 2525285.309 4470832.135 1755471.421 171211468.6 273847041 254122752.4 294683752.2 189762569.8 233925712.8 198618891.2
p-aminobenzoate 5733122.74 7643469.24 9509626.278 1665887997 2036732410 2290437445 1930279375 1888405578 1995269041 1627823222
Palmitoyl sphingomyelin 263542.2779 340859.8628 213377.0114 23185244.29 58346451.33 50725948.63 59513664.32 83263599.5 65701534.29 40230078.28
PANTOTHENATE 10682284.18 10999403.83 10316262.9 15527721557 15008254766 15504520632 15255899971 15142573809 15861286442 13282949447
PC 155536.147 194459.4819 97885.14169 74586272.07 206354399.5 209835052.9 230909114 318402166.9 234404915 160598781.5
pentabamate 521348.3103 1515810.818 507695.942 47256385.94 47133695.5 52474757.88 44925579.11 41587484.85 42997202.45 41628259.52
phenylalanine 6249532.586 4990395.408 12340381.59 7348090285 6912445103 5404838008 7542893241 5964610458 6904306538 8571595927
phosphocholine 1908624.76 3574417.414 60175397.86 758694552.9 624156916.2 482026796.7 465510487.8 605953868.3 592158936.6 646952179.7
Pipecolate 2116252.241 919847.4267 1425978.644 438166736.6 435446363.9 507189186.6 521739053 445257664.6 449704438.5 364847039.1
Pipecolate degenerate 1760233.192 1858644.194 590397.8629 83837210.12 59823326.4 82681890.57 89541831.23 67584067.83 65708477.82 45719080.88
Pipecolinic acid (tail) 2012725.364 1830647.749 1226597.667 76040609.13 73525194.31 75873570.48 83848169.69 61490204.15 66656245.54 70737381.42
Pipecolinic acid degenerate 18197537.69 7417197.748 5380672.612 2143577829 2285538358 2134600493 2469734259 1918909073 1957716258 1949004045
Piperidine 1041341.49 2133248.161 1646360.043 561493217 610692502.5 478276843.2 884367655.5 739262866.4 815368058.2 535463021.7
Pirbuterol 6424857.78 6278324.706 6011379.287 52948306.21 46038854.45 52926909.54 48363119.75 48933064.48 50419916.25 53517202.64
Pregabalin (1) 472643.313 508461.3449 1551623.604 1982047759 2634371420 5558312343 3766847122 2924325456 3367511538 2878664400
Pregabalin (2) 979724.9016 1185967.831 1164876.133 14441984.07 25258791.7 20608173.8 16893380.43 16959422.47 18263022.38 25874801.56
Pro-Hyp (1) 12229011.32 7309153.032 12058513.48 195338200.3 145123323.7 149827697.4 124157510.2 147088370.7 157389828.4 148530359.8
Pro-Hyp (2) 12741331.01 7250908.767 7653667.817 87852192.81 59466645.64 179556347.6 53498489.24 67835218.94 75642146.75 79579040.65
proline 31699516.43 27808586.31 83738914.38 17698972608 18128716584 17450483636 20160104458 18004459171 18324501269 17006925584
Proline degenerate 11013190.72 10433270.7 7213250.185 218899125.2 335638812.5 356994841 364926616.7 244364647.3 291103937.5 232684016.3
Prolylglycine 16923434.13 24101650.84 18540831.42 197679535.7 218545644.8 249578493.4 246866495.5 241921248.4 252564732.5 235684104.9
Prolylleucine 444482.9708 483715.0255 449423.6636 44670875.97 37558230.19 33521272.08 32131844.87 35757665.47 40426159.07 35363625.44
propionylcarnitine 1096074.945 1420556.352 3216761.139 356517373.2 318985720.3 353182421.9 536169265.9 295690957.1 313491028.1 424875179.5
Pyroglutamic Acid 9520049.621 7734013.274 34528249.6 5715410573 5635719072 5194608311 5809047306 4859472595 5161853985 5538801084
quinolinic_acid 1218199.556 890583.1829 1010897.924 8155229.009 27736508.55 20009618.5 23276534.43 16575220.87 18270215.45 24012819.33
Rivastigmine 804243.4482 12107150.53 2644059.45 14059752.05 13944141.63 17455759.73 18127852.94 12990225.54 17049366.75 16975040.32
S-Adenosyl-L-methionine 452645.4819 453953.8953 383474.0868 103072714.4 110275786.9 108376870.7 105106331.6 92471639.2 92615787.14 104007826.2
Secnidazole 5304587.83 7056029.965 1322611.656 30007375.12 34958462.73 29308064.07 27275108.76 31605234.08 30562050.96 35020525.52
serine 33019193.35 30496056.01 30429892.52 359749553.7 371709040.4 322588921.4 298134991.5 302787225.6 303379293 301791537.8
Spermine 2568353.026 3197395.235 3812444.399 21806180.85 42005848.27 44827875.24 32508610.22 16614535.47 17097843.76 24773010.05
streptidine 358949.5309 330238.0301 313563.7751 351430760.4 476196362.6 523214338.2 623877349.9 497643082 455145064.2 534988442.5
Succinyladenosine 11501401.64 10727865.93 11980746.91 52306723.14 51629705.21 63010272.49 61138544.02 50966622.32 47520714.56 58049122.93
taurine 447635.7171 317322.578 1002706.78 1002813844 1102285104 1147108853 1420146325 906341866.1 883619566.9 784997715
Thiamine 6926089.615 3427304.262 3083685.468 265304397.7 261117211.8 255187392.3 259445937.8 280233232.9 262359276 251030507
threonine 105192491 165777455.8 105273592.8 1973755805 1554136050 1354613726 1039228628 1908634700 1750751852 1217489235
THTC 814324.0507 1136295.792 876493.28 260041943.4 387169096.4 314924464.9 323644949.6 202322828.8 208014988.1 274171295.8
Tilarginine 224741.4565 216410.2445 161716.8473 324731117.2 468944221.8 463578082.6 494998355.4 335825067.2 366247742.9 452397300.3
trans-3-Indoleacrylic acid 679510.3383 879559.9042 713187.0664 532214264.2 782408114.9 536651134.2 719919497.3 496797693.9 451051451.9 1039340637
tryptophan 703112.4647 910110.5565 991730.7445 1149921950 1654915753 1139182343 1529960868 1070192702 970490209.1 2174368476
tyrosine 1998485.91 1201939.229 5139755.081 1369207239 1324402595 997093909.8 1378924168 1054003485 1099715668 1720662272
Tyrosine degenerate 1849733.905 1496768.382 4401266.503 38981847.92 36908521.83 25841128.21 39033350.71 27972088.57 32761056.16 46010835.46
valine 323652677.3 326226138.8 343162943.6 3346512023 3965719450 3437162213 4050628239 4088300186 3997467857 3509476947
Voglibose 4070775.743 16600503.6 228629694.6 94398207.26 88014544.08 111985007.5 100953337.8 103186953.1 106123070.9 9651192.339
YR0513000 2745635.197 31771239.91 11362676.24 59316701.68 52845393.5 63585250.96 53751767.84 55496576.46 54495691.16 61399359.42
YV8195000 2743556.617 1366360.778 723998.0612 165806704.3 201406139.8 187697543 183546442.7 148954284.3 152328789.6 142574736.5
metabolite_name Tags
C6 H10 N2 O
C6 H11 N O7
C7 H11 N7 O3 D
C6 H9 N O4 S
C18 H33 N O13
C8 H14 N6 O2
C12 H28 N8 O4
C11 H21 N O5
C14 H28 N2 O6
C42 H85 N5 O7 P2 C
C17 H35 N3 O7 P2 S
C9 H22 Cl N4 O3 P
C5 H15 N10 P S
C12 H22 N O3 P S
C10 H20 N2 O3
C42 H78 N7 O6 P
C42 H66 N O4 P
C6 H11 N4 O3 P S
C9 H15 N3 O6
C20 H30 N O7 P
C11 H21 N O7
C10 H28 N5 O11 P (1)
C14 H31 N7 O11 S
C44 H58 N2 O3
C8 H12 N2 O5 S
C13 H24 N4 O6
C14 H33 N3 O6 S E
C6 H21 N8 O3 P S2
C5 H20 N7 O2 P
C6 H16 N9 O2 P (1)
C6 H15 N O6 (1) D
C15 H23 N5 O8
C12 H23 N O5
C7 H12 N2 O
C9 H19 N5 S
C7 H24 N10 O2 P2
C26 H23 N5 O4 S D
C17 H31 N3 O3
C25 H52 N O2 P
C15 H20 N P S
C12 H29 N6 O6 P
C15 H23 N4 O P S
C10 H18 N2 O4
C9 H26 N5 O8 P
C6 H16 N9 O2 P (2)
C9 H15 N10 O P
C9 H14 N2 O2 S2 C
C5 H17 Cl2 N9 S2
C12 H28 N4 O4
C16 H33 N4 O2 P S2
C23 H19 N7 O
C13 H21 N3 O9
C5 H16 N7 O3 P
C22 H33 N O5 P2
C6 H2 O4
C40 H34 Cl N5 S2
C10 H29 N7 O9 P2
C6 H16 N7 O2 P
C46 H65 N3 O3
C13 H30 N2 O S3
C4 H6 O2 S
C8 H16 Cl N2 O5 P
C12 H23 N3 O5
C11 H15 Cl N P3
C12 H30 N8 O10
C22 H46 N O8 P
C31 H73 N9 O3 P2
C12 H13 N O7
C10 H19 N3 O5
C15 H32 N2 O2
C16 H30 N O P S
C13 H19 N3 O8
C10 H24 N9 O5 P
C14 H33 N5 O6 S
C8 H22 N9 O3 P
C9 H19 N3 O2
C21 H37 O14 P
C17 H42 N9 O P
C7 H18 Cl N7 O11 S
C22 H41 N O
C29 H62 N5 O P3
C5 H4 O4
C13 H26 N8 O4 S2
C29 H59 N7 O8
C36 H68 Br N7
C13 H17 N3 O7
C32 H56 N3 P S
C10 H27 N9 P2
C12 H11 N5 S4
C10 H18 N4 O6 S2
C13 H25 N2 O2 P S
C21 H16 Cl O2 P
C14 H32 N O3 P S2
C22 H45 N5 O7 P2
C3 H2 N2 O3 P2
C10 H28 N5 O11 P (2)
C7 H17 N9 O3 P2 S
C11 H30 N5 O12 P
C16 H31 N O S2
C9 H20 N2 O3
C22 H41 N O2
C6 H15 N O6 (2)
C26 H29 N O5 S
C20 H42 N8 O10
C42 H42 Cl2 N O6 P
C4 H8 N4 O2 S
C6 H11 N O8 S
C9 H11 N O6 S
C6 H10 N2 O6
C15 H32 N2 O12
C3 H9 N8 O6 P
C8 H14 N2 O8 S
C23 H47 N7 O5
C15 H31 N8 P3
C8 H23 N9 O2 P2
C12 H29 N3 O6 S
C18 H40 N9 P
C21 H39 N O4
C10 H21 N8 O P3 S
C43 H91 N8 O4 P
C8 H16 Cl N6 O8 P
C7 H14 N5 O11 P
C13 H21 N3 O8
C16 H25 N2 O P S2
C11 H4 N4 O5 S
C25 H47 N O6
C11 H10 N3 O3 P
C24 H44 N7 P S2
C43 H71 N S
C4 H7 O9 P
C15 H35 N3 O7 S
C20 H47 N10 O2 P S
C3 H7 Cl N2 O6
C22 H38 Cl N6 O10 P S5
C4 H12 N9 O3 P S
C16 H16 N4 O7 S4
C22 H43 N O2
C14 H23 N3 O5
C8 H4 N2 O10 P2 S2
C19 H34 O5 P2
C19 H34 N O P S
C22 H54 N10 O5 P2 S
C5 H3 Cl N4 O3
C32 H68 N9 P
C14 H18 N9 P S
C3 H11 N7 O10 S5
C24 H50 N2 O
C32 H75 N7 O P2
C26 H50 N7 O P S2
C8 H19 Br Cl N9 O
C12 H15 N4 O8 P S
C5 H12 Cl N O13
C42 H82 N7 O5 P
C19 H37 N2 P S
C6 H8 N3 O11 P
C39 H83 N O13 P2
C6 H3 N5 O14
Histidine (tail) D
(+)-gamma-Hydroxy-L-homoarginine
(.+/-.)-1-Amino-2-propanol C;F
(2R)-3-{[(2-Aminoethoxy)(hydroxy)phosphoryl]oxy}-2-{[10-(2-hexylcyclopropyl)decanoyl]oxy}propyl palmitate C;F
(2S)-2-Amino-8-hydroxyoctanoic acid
"1,4-Dimethylimidazole"
"1-(beta-D-Ribofuranosyl)-1,3,4,7-tetrahydro-2H-1,3-diazepin-2-one"
1-(sn-glycero-3-phospho)-1D-myo-inositol F
1-[(9Z)-hexadecenoyl]-sn-glycero-3-phosphocholine F
1-METHYL-L-HISTIDINE A;B;C;D;F
1-Methylguanine C;D;F
1-palmitoyl-2-oleoyl-sn-glycero-3-phosphoethanolamine
"2,3,6-Pyridinetriol" D
"2,4-Diacetamido-2,4,6-trideoxy-alpha-D-mannopyranose (RT = 6.642)" C;F
"2,4-Diacetamido-2,4,6-trideoxy-alpha-D-mannopyranose (RT = 8.138)" F
"2,4-Diamino-6-nitrotoluene (1)"
"2,4-Diamino-6-nitrotoluene (2)"
"2,6-Diamino-4-methyleneheptanedioic acid"
"2,6-Diamino-7-hydroxynonanedioic acid"
2-[(2Z)-2-({4-[(3-Aminopropyl)amino]butyl}imino)-2-hydroxyethyl]-2-hydroxysuccinic acid (1)
2-[(2Z)-2-({4-[(3-Aminopropyl)amino]butyl}imino)-2-hydroxyethyl]-2-hydroxysuccinic acid (2)
2-Amino-4-methylpyrimidine D
2-formylphenylformamide C;F
2-Hydroxycinnamic acid C;D;F
"3-[(1S,4R)-4-Hydroxy-2-cyclohexen-1-yl]-L-alanine"
3-Buten-1-amine C;F
3-METHYL-L-HISTIDINE A;B;C;D;F
3-Morpholinopropanal
3-Thiomorpholinecarboxylic acid
3-ureidopropionate A;C;D;F
4-(Methylthio)-2-oxobutyric acid C;F
4-Hydroxybenzaldehyde C;D;F
4-Hydroxyphenylacetylglycine F
4-Imidazolemethanol
4-Methyleneglutamine C;F
5-Acetamidopentanoic acid (1) C
5-Acetamidopentanoic acid (2) C;F
5-Hydroxyindole-3-acetic acid D
5-Methylcytidine C;F
6-Methylnicotinamide D
Acetylarginine C;D;F
acetylaspartate A
acetylcarnitine A;B;C;D;F
Acetylcarnitine
afegostat C;F
Ala-Leu (1) F
Ala-Leu (2) C;F
alanine A;B;C;D;F
alpha-Ketoglutaric acid
anthopleurine
apronalide
arginine A;B;C;D;F
argininosuccinate A;B;C;D;F
Argininosuccinic acid
asparagine A;B;C;D;F
Aspartame C;D;F
asymmetric dimethylarginine (ADMA) A;B;C;D;F
b-Ala-Lys F
Benzoxazolone F
Benzyl butyl phthalate
betaine A;B;C;D;F
biotin A;C;D;F
Butobarbital
Butyrylcarnitine A;B;C;F
C5 Carnitines A;B;F
Caprolactam C
carnitine A;B;C;D;F
choline B
cis-aconitate A
citrate A;F
citrulline A;B;C;D;F
coformycin C;F
Coumarin C;F
creatine A;B;C;D;F
creatinine A;B;C;D;F
Creatinine degenerate D;F
"Cyclohexane-1,2-diaminetetraacetic acid"
Cysteine-glutathione disulfide F
cystine A;B;C;D;F
cytidine A;B;C;D;F
cytosine (1) C;D;F
cytosine (2) A;B;C;D;F
Cytosine degenerate (RT = 4.142) C;D;F
D-lysopine
Dehydrocycloguanandin C;F
Dehydroglycine C;F
delta-guanidinovaleric acid C;F
DEOXYCARNITINE A;B;C;D;F
DEOXYCYTIDINE A;B;C;F
dimethylformamide C;F
dimethylglicine A;B;C;D;F
"DL-2,6-Diaminopimelic acid" C;F
DL-Stachydrine D;F
epsilon-(gamma-Glutamyl)-lysine F
epsilon-(gamma-Glutamyl)-lysine (RT = 11.658) F
Erucamide C;D;F
fagomine F
Farampator
Fasoracetam
Formiminoglutamic Acid C;F
Formylisoglutamine
Fructoselysine C;F
gamma-Glu-gln F
gamma-glutamyltyramine F
glutamine A;B;C;D;F
Glycerol 3-Phosphate A;B
Glycerophosphocholine A;B;C;F
GNK (1) C;D;F
GNK (2) F
Golotimod F
GSSG A;F
guanidinoacetate A;B
GUANIDINOSUCCINATE A;B
guanine A;B;C;D;F
HC blue 2 C;F
hercynine (RT = 6.761) C;F
hercynine (RT = 8.876) C;F
Heterodendrin F
Hexadecanamide C;D;F
histidine A;B;C;D;F
histidinol
Hnv
Homo-L-arginine C;F
homocitrulline A;C;F
hydroxyproline/5-aminolevulinic acid A;B;D
hypoxanthine A;B;C;D;F
isoleucine/leucine A;B;C;D;F
kynurenine A;B;C;D;F
L-dihydroanticapsin F
L-Ergothioneine D
L-Ethionine
L-Glutamyl-L-alanine B
L-Hexanoylcarnitine
L-Lysine lactam C;F
L-Prolinamide C;D;F
lentiginosine F
lysine A;B;C;D;F
meprobamate F
methionine A;B;C;D;F
Methionine sulfoxide A;B;C;D;F
Methohexital
MFCD00036904 C;F
MFCD00127891 (1) F
MFCD00127891 (2)
MFCD00133435
MFCD00135289 C;F
Midodrine
"N,N,N-TRIMETHYLLYSINE" A;B;C;D;F
"N,N-dimethylarginine (RT = 13.597)" C;F
N-Acetyl-1-aspartylglutamic acid C;D;F
N-Acetyl-L-histidine
N-Acetylleucylleucine
N-acetyllysine A;C;D;F
N-ACETYLPUTRESCINE B;C;D
N-Benzylformamide C;D;F
N-Propanoylimidazole
N6-METHYLLYSINE (1) F
N6-METHYLLYSINE (2)
niacinamide A;B;C;D;F
nicotianamine
Nifedipine
nitrilotriacetic acid
"Norspermidine-2,3-dihydroxybenzoate" C;F
NPYR C;F
Nudifloramide C;F
N~2~-(1-Carboxyethyl)-N~5~-(diaminomethylene)ornithine
N~2~-Acetyl-L-ornithine C;D;F
O-PHOSPHOETHANOLAMINE A
ornithine A;B;C;D;F
p-aminobenzoate A;B;C;D;F
Palmitoyl sphingomyelin F
PANTOTHENATE A;B;F
PC C;F
pentabamate
phenylalanine A;B;C;D;F
phosphocholine A;B;C;F
Pipecolate A;B;C;D;F
Pipecolate degenerate A;B;C;D
Pipecolinic acid (tail) C;D;F
Pipecolinic acid degenerate C;D;F
Piperidine C;F
Pirbuterol C;F
Pregabalin (1) C;F
Pregabalin (2)
Pro-Hyp (1) C;F
Pro-Hyp (2) C;F
proline A;B;D;F
Proline degenerate C;D;F
Prolylglycine C;D;F
Prolylleucine C;D;F
propionylcarnitine A;B;C;D;F
Pyroglutamic Acid C;D;F
quinolinic_acid A
Rivastigmine
S-Adenosyl-L-methionine A;D;F
Secnidazole
serine A;B;C;D;F
Spermine D
streptidine C;F
Succinyladenosine C;F
taurine A;B;C;D;F
Thiamine
threonine A;B;C;D;F
THTC C;F
Tilarginine F
trans-3-Indoleacrylic acid C;D;F
tryptophan A;B;D;F
tyrosine A;B;D;F
Tyrosine degenerate D
valine A;B;C;D;F
Voglibose
YR0513000
YV8195000 C;F