Molecules in the Library

Name Sum Formula Exact Mass Pubchem ID Spectra Count Tags [M-H]- [M+Cl]- [M-H2O-H]- [M+CH2O2-H]- [M-H2O+H]+ [M+H]+ [M+Na]+ [M+NH4]+ [M+CH3OH+H]+ [M+K]+
CITRATE C6H8O7 192.02700 311 6 Protocol/HILIC/01 191.01973 226.99640 173.00916 None 175.02371 193.03428 215.01622 210.06083 225.06049 230.99016
Glucosyl(ß) C12 Ceramide C30H60NO6P 561.41583 5283580 3 Protocol/HILIC/01 560.40855 596.38523 542.39798 None 544.41254 562.42310 584.40505 579.44965 594.44932 600.37898
Triacetin (C2:0) C9H14O6 218.07904 5541 8 - 217.07176 253.04844 199.06120 None 201.07575 219.08631 241.06826 236.11286 251.11253 257.04220
Tributyrin (C4:0) C15H26O6 302.17294 6050 9 - 301.16566 337.14234 283.15510 None 285.16965 303.18022 325.16216 320.20676 335.20643 341.13610
Tricaprylin (C8:0) C27H50O6 470.36074 10850 18 - 469.35346 505.33014 451.34290 None 453.35745 471.36802 493.34996 488.39456 503.39423 509.32390
Tricaproin (C6:0) C21H38O6 386.26684 12131 9 - 385.25956 421.23624 367.24900 None 369.26355 387.27412 409.25606 404.30066 419.30033 425.23000
Tricaprin (C10:0) C33H62O6 554.45464 69310 18 - 553.44736 589.42404 535.43680 None 537.45135 555.46192 577.44386 572.48847 587.48813 593.41780
Glyceryl tridodecanoate C39H74O6 638.54854 10851 3 - 637.54126 673.51794 619.53070 None 621.54525 639.55582 661.53776 656.58237 671.58203 677.51170
Tripalmitin C51H98O6 806.73634 11147 7 - 805.72906 841.70574 787.71850 None 789.73305 807.74362 829.72556 824.77017 839.76983 845.69950
Glyceryl trimyristate C45H86O6 722.64244 11148 9 - 721.63516 757.61184 703.62460 None 705.63915 723.64972 745.63166 740.67627 755.67593 761.60560
D-Sphingosine C18H37NO2 299.28243 5353955 9 - 298.27515 334.25183 280.26459 None 282.27914 300.28971 322.27165 317.31625 332.31592 338.24559
1,2-Dierucoyl-sn-glycero-3-phosphocholine C52H100NO8P 897.71866 24779126 3 - 896.71138 932.68806 878.70082 None 880.71537 898.72593 920.70788 915.75248 930.75215 936.68181
4-Cholesten-3-one C27H44O 384.33922 91477 6 - 383.33194 419.30862 365.32137 None 367.33593 385.34649 407.32844 402.37304 417.37271 423.30237
2,5-Dihydroxybenzoic acid C7H6O4 154.02661 3469 1 - 153.01933 188.99601 135.00877 None 137.02332 155.03389 177.01583 172.06043 187.06010 192.98977
Glyceryl trioleate C57H104O6 884.78329 5497163 7 - 883.77601 919.75269 865.76545 None 867.78000 885.79057 907.77251 902.81712 917.81678 923.74645
1,2-Dierucoyl-sn-glycero-3-phosphoethanolamine C49H94NO8P 855.67171 71311796 7 - 854.66443 890.64111 836.65386 None 838.66842 856.67898 878.66093 873.70553 888.70520 894.63486
Adenosine monophosphate C10H14N5O7P 347.06308 6083 9 - 346.05581 382.03249 328.04524 None 330.05980 348.07036 370.05231 365.09691 380.09658 386.02624
Acetyl coA C23H38N7O17P3S 809.12577 444493 4 - 808.11850 844.09518 790.10793 None 792.12249 810.13305 832.11500 827.15960 842.15927 848.08893
Adenosine triphosphate C10H16N5O13P3 506.99575 5957 1 - 505.98847 541.96515 487.97791 None 489.99246 508.00302 529.98497 525.02957 540.02924 545.95890
Adenosine diphosphate C10H15N5O10P2 427.02942 6022 11 - 426.02214 461.99882 408.01157 None 410.02613 428.03669 450.01864 445.06324 460.06291 465.99257
Arabinose C5H10O5 150.05282 66308 9 - 149.04555 185.02222 131.03498 None 133.04954 151.06010 173.04204 168.08665 183.08631 189.01598
Adenosine C10H13N5O4 267.09675 60961 1 - 266.08948 302.06616 248.07891 None 250.09347 268.10403 290.08597 285.13058 300.13025 306.05991
POPC, Phosphatidylcholine(16:0/18:1) C42H82NO8P 759.57781 5497103 10 - 758.57053 794.54721 740.55996 None 742.57452 760.58508 782.56703 777.61163 792.61130 798.54096
18:0 Lyso PC C26H54NO7P 523.36379 24779491 8 - 522.35651 558.33319 504.34595 None 506.36050 524.37107 546.35301 541.39762 556.39728 562.32695
PHS-1-P, phytosphingosine 1-phosphate C18H40NO6P 397.25932 C18H40NO6P 6 - 396.25205 432.22873 378.24148 None 380.25604 398.26660 420.24855 415.29315 430.29282 436.22248
435 molecule(s) with at least one fragmentation spectrum