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]+
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
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
INOSINE 5'-TRIPHOSPHATE C10H15N4O14P3 507.97976216 8583 12 - 506.9724857099093 542.9491634399093 488.96192101990925 490.9764739300907 508.98703861009074 530.9689828600907 526.0135877100907 541.0132533600907 546.9429200700907
L-HISTIDINE C6H9N3O2 155.06947653 6274 12 - 154.06220007990925 190.03887780990922 136.05163538990922 138.06618830009077 156.07675298009076 178.05869723009076 173.10330208009077 188.10296773009077 194.03263444009076
Adenosine diphosphate C10H15N5O10P2 427.02941568 6022 11 - 426.02213922990927 461.9988169599093 408.01157453990925 410.0261274500907 428.0366921300907 450.01863638009075 445.06324123009074 460.06290688009074 465.99257359009073
O-ACETYL-L-SERINE C5H9NO4 147.05315777 99478 10 - 146.04588131990923 182.02255904990923 128.03531662990923 130.04986954009075 148.06043422009077 170.04237847009077 165.08698332009075 180.08664897009078 186.01631568009077
POPC C42H82NO8P 759.577808489922 10 - 758.5705320398309 794.5472087199529 740.559967359831 742.5745202600126 760.5850849500125 782.5670291900126 777.6116340400124 792.6112996900126 798.5409742321608
Adenosine monophosphate C10H14N5O7P 347.06308479 6083 9 - 346.0558083399093 382.0324860699093 328.04524364990925 330.0597965600907 348.07036124009073 370.05230549009076 365.09691034009074 380.09657599009074 386.02624270009073
Arabinose C5H10O5 150.05282342 66308 9 - 149.04554696990922 185.02222469990923 131.03498227990923 133.04953519009075 151.06009987009077 173.04204412009076 168.08664897009078 183.08631462009077 189.01598133009077
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
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
Hyodeoxycholic acid C24H40O4 392.29265976 9963687 9 - 391.28538330990926 427.26206103990927 373.27481861990924 375.28937153009076 393.2999362100907 415.28188046009075 410.32648531009073 425.32615096009073 431.2558176700907
L-ALANINE C3H7NO2 89.04767846 5950 9 - 88.04040200990923 124.01707973990924 70.02983732990924 72.04439023009077 90.05495492009076 112.03689916009077 107.08150401009077 122.08116966009077 128.01083637009077
L-GLUTAMINE C5H10N2O3 146.06914218 5961 9 - 145.06186572990924 181.03854345990925 127.05130103990923 129.06585395009077 147.07641863009076 169.05836288009075 164.10296773009077 179.10263338009077 185.03230009009076
NICOTINAMIDE MONONUCLEOTIDE C11H15N2O8P 334.05660244 14180 9 - 333.0493259899093 369.0260037199093 315.03876129990925 317.0533142100907 335.06387889009073 357.04582314009076 352.09042799009075 367.09009364009074 373.01976035009073
TAG C53H100O6 832.751993829922 9 - 831.744717379831 867.7214000148182 813.734152689831 815.7487056000125 833.7592702800125 855.7412145300126 850.7858193800125 865.7854850300124 871.7151595721608
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
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
18:0 Lyso PC C26H54NO7P 523.363801709973 8 - 522.3565252598823 558.3331932099528 504.34596056988227 506.36051348006373 524.3710781600638 546.3530224100638 541.3976272600637 556.3972929100637 562.3269522624162
C16 Ceramide C34H67NO3 537.512106639973 8 - 536.5048301898823 572.4814981399528 518.4942655098823 520.5088184100638 538.5193831000637 560.5013273400637 555.5459321900637 570.5455978400638 576.475257192416
C18 Ceramides C36H71NO3 565.543406769973 8 - 564.5361303198822 600.5127982699529 546.5255656398822 548.5401185400638 566.5506832200637 588.5326274700639 583.5772323200639 598.5768979700636 604.506557322416
D-RIBOSE C5H10O5 150.05282342 5779 8 - 149.04554696990922 185.02222469990923 131.03498227990923 133.04953519009075 151.06009987009077 173.04204412009076 168.08664897009078 183.08631462009077 189.01598133009077
Glycine C2H5NO2 75.0320284 5257127 8 - 74.02475194990923 110.00142967990924 56.01418725990924 58.02874017009076 76.03930485009076 98.02124910009077 93.06585395009077 108.06551960009077 113.99518631009076
Isoleucine C6H13NO2 131.09462866 6306 8 - 130.08735219990925 166.06402993990923 112.07678751990923 114.09134042009076 132.10190511009077 154.08384936009077 149.12845420009077 164.12811986009078 170.05778657009077
L-ASPARAGINE C4H8N2O3 132.05349212 6267 8 - 131.04621565990922 167.02289339990924 113.03565097990924 115.05020388009076 133.06076857009077 155.04271282009077 150.08731766009078 165.08698332009075 171.01665003009077
439 molecule(s) with at least one fragmentation spectrum