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]+
d5-TG ISTD Mix I C47H83D5O6 753.689429712 0 - 752.682153258 788.658917185 734.671588572 736.686141479 754.696706162 776.678650412 771.723255259 786.722920912 792.652666768
d5-DG ISTD Mix I C43H59D5O5 665.506714323 0 - 664.499437873 700.476201796 646.48887319 648.503426093 666.513990773 688.495935023 683.540539873 698.540205523 704.469951379
Cardiolipin Mix I C95H178O17P2 1654.25733099 0 - 1653.25005453 1689.22673055 1635.23948983 1637.25404273 1655.26460744 1677.24655169 1672.29115653 1687.29082221 1693.2204889
Pelargonidin3-sophoroside C28H33O14 593.18703074 0 - 592.17975428 628.15643202 574.1691896 576.1837425 594.19430719 616.17625144 611.22085628 626.22052194 632.15018865
Pelargonidin3-sophoroside C28H33O14 593.18703074 0 - 592.17975428 628.15643202 574.1691896 576.1837425 594.19430719 616.17625144 611.22085628 626.22052194 632.15018865
Eicosapentaenoic acid EPA C20H30O2 302.2245802 446284 0 - 301.21730375 337.19398148 283.20673906 285.22129197 303.23185665 325.2138009 320.25840575 335.2580714 341.18773811
testx C6H13NO2 131.09462866 6107 0 - 130.0873522 166.06402994 112.07678752 114.09134042 132.10190511 154.08384936 149.1284542 164.12811986 170.05778657
testy C6H13NO2 131.09462866 6108 0 - 130.0873522 166.06402994 112.07678752 114.09134042 132.10190511 154.08384936 149.1284542 164.12811986 170.05778657
Cholesteryl acetate C29H48O2 428.36543078 6427285 0 - 427.35815432 463.33483206 409.34758964 411.36214254 429.37270723 451.35465148 446.39925632 461.39892198 467.32858869
DPPI(4,5)P2 C41H78O19P3 967.43501919 0 - 966.42774273 1002.40441808 948.41717805 950.43173095 968.44229564 990.42423989 985.46884473 1000.46851039 1006.39817659
1,3-Diolein C39H72O5 620.5379754 5497165 0 - 619.53069895 655.50737668 601.52013427 603.53468717 621.54525186 643.5271961 638.57180095 653.5714666 659.50113331
1,2-Dioleoyl-rac-glycerol C39H72O5 620.5379754 9543716 0 - 619.53069895 655.50737668 601.52013427 603.53468717 621.54525186 643.5271961 638.57180095 653.5714666 659.50113331
Monoolein C21H40O4 356.29265976 16081932 0 - 355.28538331 391.26206104 337.27481862 339.28937153 357.29993621 379.28188046 374.32648531 389.32615096 395.25581767
Acetylcholine chloride C7H16ClNO2 181.08695645 6060 0 - 180.07968 216.05635773 162.06911532 164.08366822 182.0942329 204.07617715 199.120782 214.12044765 220.05011436
Aminobenzoic acid H2NC6H4CO2H 137.04767846 7057990 0 - 136.04040201 172.01707974 118.02983733 120.04439023 138.05495492 160.03689916 155.08150401 170.08116966 176.01083637
18:1 CA Cardiolipin C81H148O17P2 1455.01918684 0 - 1454.01191038 1489.98858098 1436.0013457 1438.0158986 1456.02646329 1478.00840754 1473.05301238 1488.05267804 1493.98233949
18:1 DAG C39H72O5 620.53797831 0 - 619.53070186 655.50737854 601.52013718 603.53469008 621.54525477 643.52719901 638.57180386 653.57146951 659.50113622
POPS C40H75NO10P 760.51286251 0 - 759.50558606 795.48226274 741.49502137 743.50957428 761.52013896 783.50208321 778.54668806 793.54635371 799.47602042
DOPS C42H77NO10P 786.52851257 0 - 785.52123612 821.4979128 767.51067144 769.52522434 787.53578903 809.51773327 804.56233812 819.56200377 825.491678312
P14P C47H82O16P2 964.50781054 46891797 0 - 963.50053409 999.47721182 945.48996941 947.50452231 965.515087 987.49703124 982.54163609 997.54130174 1003.47096845
DOPG C42H78O10P 773.53326361 0 - 772.52598715 808.50266384 754.51542247 756.52997537 774.54054006 796.52248431 791.56708915 806.56675481 812.496429352
POPA C37H70O8P 673.480839421 0 - 672.473562971 708.45023434 654.462998281 656.477551191 674.488115871 696.470060121 691.514664971 706.514330621 712.443997331
DOPA C39H72O8P 699.49648417 0 - 698.48920772 734.4658844 680.47864304 682.49319594 700.50376063 722.48570487 717.53030972 732.52997537 738.45964208
18:0 Lyso PI C27H52O12P 599.31965074 0 - 598.31237429 634.28904224 580.30180961 582.31636251 600.3269272 622.30887144 617.35347629 632.353138521 638.282801292
DOPI C45H83O13P 862.55712972 0 - 861.54985326 897.526531 843.53928858 845.55384148 863.56440617 885.54635042 880.59095526 895.59062092 901.52028763
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  • 25 of 743 molecules
439 molecule(s) with at least one fragmentation spectrum