Molecules in the Library

Name Sum Formula Exact Mass Pubchem ID Spectra Count Tags [M-H]- [M+Cl]- [M-H2O-H]- [M-H2O+H]+ [M+H]+ [M+Na]+ [M+NH4]+ [M+CH3OH+H]+ [M+K]+
CITRATE C6H8O7 192.0270026 311 6 Protocol/HILIC/01 191.01972613990924 226.99640387990922 173.00916145990922 175.02371436009076 193.03427905009076 215.01622330009076 210.06082814009076 225.06049380009077 230.99016051009076
Triacetin (C2:0) C9H14O6 218.07903817 5541 8 - 217.07176171990923 253.04843944990924 199.06119702990924 201.07574994009076 219.08631462009077 241.06825887009077 236.11286372009076 251.11252937009075 257.0421960800907
Tributyrin (C4:0) C15H26O6 302.17293855 6050 9 - 301.16566209990924 337.14233982990925 283.1550974199093 285.16965032009074 303.18021500009075 325.1621592500907 320.2067641000907 335.20642975009076 341.13609646009076
Tricaprylin (C8:0) C27H50O6 470.36073932 10850 18 - 469.35346286990927 505.33014059990927 451.34289817990924 453.35745109009076 471.3680157700907 493.34996002009075 488.39456487009073 503.39423052009073 509.3238972300907
Tricaproin (C6:0) C21H38O6 386.26683894 12131 9 - 385.2595624799093 421.2362402199093 367.24899779990926 369.2635507000907 387.27411539009074 409.2560596400907 404.30066448009075 419.30033014009075 425.22999685009074
Tricaprin (C10:0) C33H62O6 554.4546397 69310 18 - 553.4473632499092 589.4240409799093 535.4367985699092 537.4513514700907 555.4619161600907 577.4438604000908 572.4884652500907 587.4881309000907 593.4177976100907
Glyceryl tridodecanoate C39H74O6 638.54854009 10851 3 - 637.5412636399093 673.5179413699093 619.5306989499093 621.5452518600907 639.5558165400907 661.5377607900907 656.5823656400908 671.5820312900908 677.5116980000907
Tripalmitin C51H98O6 806.73634086 11147 7 - 805.7290643999092 841.7057421399093 787.7184997199092 789.7330526200907 807.7436173100907 829.7255615600907 824.7701664000907 839.7698320600907 845.6994987700907
Glyceryl trimyristate C45H86O6 722.64244047 11148 9 - 721.6351640199092 757.6118417499092 703.6245993399093 705.6391522400908 723.6497169200908 745.6316611700908 740.6762660200907 755.6759316700908 761.6055983800908
D-Sphingosine C18H37NO2 299.28242942 5353955 9 - 298.27515296990924 334.25183069990925 280.2645882899093 282.27914119009074 300.28970588009076 322.2716501200907 317.3162549700907 332.3159206200907 338.24558733009076
1,2-Dierucoyl-sn-glycero-3-phosphocholine C52H100NO8P 897.71865616 24779126 3 - 896.7113797099092 932.6880574399092 878.7008150199092 880.7153679300908 898.7259326100907 920.7078768600908 915.7524817100907 930.7521473600907 936.6818140700907
Cholesteryl acetate C29H48O2 428.36543078 6427285 0 - 427.35815431990926 463.3348320599093 409.34758963990924 411.36214254009076 429.3727072300907 451.35465148009075 446.39925632009073 461.39892198009073 467.3285886900907
4-Cholesten-3-one C27H44O 384.33921603 91477 6 - 383.33193957990926 419.30861730990927 365.32137488990924 367.33592780009076 385.3464924800907 407.32843673009074 402.3730415800907 417.3727072300907 423.3023739400907
DPPI(4,5)P2 C41H78O19P3 967.435019189922 0 - 966.4277427298309 1002.4044180757176 948.4171780498313 950.4317309500126 968.4422956400125 990.4242398900125 985.4688447300125 1000.4685103900124 1006.3981765897939
2,5-Dihydroxybenzoic acid C7H6O4 154.02660867 3469 1 - 153.01933221990924 188.99600994990922 135.00876753990923 137.02332044009077 155.03388512009076 177.01582937009076 172.06043422009077 187.06009987009077 192.98976658009076
Glyceryl trioleate C57H104O6 884.78329105 5497163 7 - 883.7760145999092 919.7526923299092 865.7654499099093 867.7800028200908 885.7905675000908 907.7725117500908 902.8171166000907 917.8167822500907 923.7464489600908
1,3-Diolein C39H72O5 620.5379754 5497165 0 - 619.5306989499093 655.5073766799093 601.5201342699092 603.5346871700907 621.5452518600907 643.5271961000907 638.5718009500907 653.5714666000907 659.5011333100907
1,2-Dioleoyl-rac-glycerol C39H72O5 620.5379754 9543716 0 - 619.5306989499093 655.5073766799093 601.5201342699092 603.5346871700907 621.5452518600907 643.5271961000907 638.5718009500907 653.5714666000907 659.5011333100907
Monoolein C21H40O4 356.29265976 16081932 0 - 355.28538330990926 391.26206103990927 337.27481861990924 339.28937153009076 357.2999362100907 379.28188046009075 374.32648531009073 389.32615096009073 395.2558176700907
1,2-Dierucoyl-sn-glycero-3-phosphoethanolamine C49H94NO8P 855.67170597 71311796 7 - 854.6644295199093 890.6411072499093 836.6538648299093 838.6684177400907 856.6789824200907 878.6609266700907 873.7055315200907 888.7051971700907 894.6348638800907
Adenosine monophosphate C10H14N5O7P 347.06308479 6083 12 - 346.0558083399093 382.0324860699093 328.04524364990925 330.0597965600907 348.07036124009073 370.05230549009076 365.09691034009074 380.09657599009074 386.02624270009073
Acetyl coA C23H38N7O17P3S 809.12577493 444493 4 - 808.1184984699092 844.0951762099093 790.1079337899092 792.1224866900907 810.1330513800907 832.1149956300908 827.1596004700907 842.1592661300907 848.0889328400907
Adenosine triphosphate C10H16N5O13P3 506.99574657 5957 2 - 505.98847011990927 541.9651478499093 487.97790543990925 489.99245834009076 508.0030230200907 529.9849672700907 525.0295721200907 540.0292377700907 545.9589044800907
Adenosine diphosphate C10H15N5O10P2 427.02941568 6022 14 - 426.02213922990927 461.9988169599093 408.01157453990925 410.0261274500907 428.0366921300907 450.01863638009075 445.06324123009074 460.06290688009074 465.99257359009073
Arabinose C5H10O5 150.05282342 66308 9 - 149.04554696990922 185.02222469990923 131.03498227990923 133.04953519009075 151.06009987009077 173.04204412009076 168.08664897009078 183.08631462009077 189.01598133009077
439 molecule(s) with at least one fragmentation spectrum