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 - 553.44736325 589.42404098 535.43679857 537.45135147 555.46191616 577.4438604 572.48846525 587.4881309 593.41779761
Tricaprylin (C8:0) C27H50O6 470.36073932 10850 18 - 469.35346287 505.3301406 451.34289818 453.35745109 471.36801577 493.34996002 488.39456487 503.39423052 509.32389723
Adenosine diphosphate C10H15N5O10P2 427.02941568 6022 14 - 426.02213923 461.99881696 408.01157454 410.02612745 428.03669213 450.01863638 445.06324123 460.06290688 465.99257359
Adenosine monophosphate C10H14N5O7P 347.06308479 6083 12 - 346.05580834 382.03248607 328.04524365 330.05979656 348.07036124 370.05230549 365.09691034 380.09657599 386.0262427
INOSINE 5'-TRIPHOSPHATE C10H15N4O14P3 507.97976216 8583 12 - 506.97248571 542.94916344 488.96192102 490.97647393 508.98703861 530.96898286 526.01358771 541.01325336 546.94292007
L-HISTIDINE C6H9N3O2 155.06947653 6274 12 - 154.06220008 190.03887781 136.05163539 138.0661883 156.07675298 178.05869723 173.10330208 188.10296773 194.03263444
O-ACETYL-L-SERINE C5H9NO4 147.05315777 99478 10 - 146.04588132 182.02255905 128.03531663 130.04986954 148.06043422 170.04237847 165.08698332 180.08664897 186.01631568
POPC C42H82NO8P 759.57780849 10 - 758.57053204 794.54720872 740.55996736 742.57452026 760.58508495 782.56702919 777.61163404 792.61129969 798.540974232
URIDINE-5-MONOPHOSPHATE C9H13N2O9P 324.035867 6030 10 - 323.02859054 359.00526828 305.01802586 307.03257876 325.04314345 347.0250877 342.06969254 357.0693582 362.99902491
Arabinose C5H10O5 150.05282342 66308 9 - 149.04554697 185.0222247 131.03498228 133.04953519 151.06009987 173.04204412 168.08664897 183.08631462 189.01598133
Cytidine C9H13N3O5 243.08552052 6175 9 - 242.07824406 278.0549218 224.06767938 226.08223228 244.09279697 266.07474122 261.11934606 276.11901172 282.04867843
D-Sphingosine C18H37NO2 299.28242942 5353955 9 - 298.27515297 334.2518307 280.26458829 282.27914119 300.28970588 322.27165012 317.31625497 332.31592062 338.24558733
Glyceryl trimyristate C45H86O6 722.64244047 11148 9 - 721.63516402 757.61184175 703.62459934 705.63915224 723.64971692 745.63166117 740.67626602 755.67593167 761.60559838
Guanosine C10H13N5O5 283.09166852 6802 9 - 282.08439206 318.0610698 264.07382738 266.08838028 284.09894497 306.08088922 301.12549406 316.12515972 322.05482643
Hyodeoxycholic acid C24H40O4 392.29265976 9963687 9 - 391.28538331 427.26206104 373.27481862 375.28937153 393.29993621 415.28188046 410.32648531 425.32615096 431.25581767
L-ALANINE C3H7NO2 89.04767846 5950 9 - 88.0404020099 124.01707974 70.0298373299 72.0443902301 90.0549549201 112.03689916 107.08150401 122.08116966 128.01083637
L-GLUTAMINE C5H10N2O3 146.06914218 5961 9 - 145.06186573 181.03854346 127.05130104 129.06585395 147.07641863 169.05836288 164.10296773 179.10263338 185.03230009
NICOTINAMIDE MONONUCLEOTIDE C11H15N2O8P 334.05660244 14180 9 - 333.04932599 369.02600372 315.0387613 317.05331421 335.06387889 357.04582314 352.09042799 367.09009364 373.01976035
TAG C53H100O6 832.75199383 9 - 831.74471738 867.721400015 813.73415269 815.7487056 833.75927028 855.74121453 850.78581938 865.78548503 871.715159572
Tributyrin (C4:0) C15H26O6 302.17293855 6050 9 - 301.1656621 337.14233983 283.15509742 285.16965032 303.180215 325.16215925 320.2067641 335.20642975 341.13609646
Tricaproin (C6:0) C21H38O6 386.26683894 12131 9 - 385.25956248 421.23624022 367.2489978 369.2635507 387.27411539 409.25605964 404.30066448 419.30033014 425.22999685
18:0 Lyso PC C26H54NO7P 523.36380171 8 - 522.35652526 558.33319321 504.34596057 506.36051348 524.37107816 546.35302241 541.39762726 556.39729291 562.326952262
C16 Ceramide C34H67NO3 537.51210664 8 - 536.50483019 572.48149814 518.49426551 520.50881841 538.5193831 560.50132734 555.54593219 570.54559784 576.475257192
C18 Ceramides C36H71NO3 565.54340677 8 - 564.53613032 600.51279827 546.52556564 548.54011854 566.55068322 588.53262747 583.57723232 598.57689797 604.506557322
Cytidine diphosphate C9H15N3O11P2 403.0181823 6132 8 - 402.01090585 437.98758358 384.00034116 386.01489407 404.02545875 426.007403 421.05200785 436.0516735 441.98134021
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  • 25 of 743 molecules
439 molecule(s) with at least one fragmentation spectrum