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]+
Lactosylceramide C53H101NO13 959.7272952 0 - 958.72001875 994.696701385 940.70945407 942.72400697 960.73457165 982.7165159 977.76112075 992.7607864 998.690460942
DPPI-3P C41H77O16P2 887.46868829 0 - 886.46141184 922.43808852 868.45084716 870.46540006 888.47596475 910.45790899 905.50251384 920.50217949 926.43184569
DPPI-4-P PI-4-P dipalmitoyl C41H77O16P2 887.46868829 0 - 886.46141184 922.43808852 868.45084716 870.46540006 888.47596475 910.45790899 905.50251384 920.50217949 926.43184569
N-C18:0 Phytoceramide C36H73NO4 583.55397146 3 - 582.546695 618.52336296 564.53613032 566.55068322 584.56124791 606.54319216 601.587797 616.58746266 622.517122012
TAG C53H100O6 832.75199383 9 - 831.74471738 867.721400015 813.73415269 815.7487056 833.75927028 855.74121453 850.78581938 865.78548503 871.715159572
MAG C21H40O4 356.2926714 6 - 355.28539495 391.26207001 337.27483026 339.28938317 357.29994785 379.2818921 374.32649695 389.3261626 395.255821952
Lactosyl(ß) C12 Ceramide C30H59NO3 481.44950639 5 - 480.44222994 516.41889789 462.43166525 464.44621816 482.45678284 504.43872709 499.48333194 514.48299759 520.412656942
Glucosyl(ß) C12 Ceramide C30H60NO6P 561.41583728 3 - 560.40856083 596.38522878 542.39799614 544.41254905 562.42311373 584.40505798 579.44966283 594.44932848 600.378987832
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
DG(14:0/0:0/14:0) (d5) C31H55D5O5 517.47545875 3 - 516.4681823 552.44486003 498.45761761 500.47217052 518.4827352 540.46467945 535.5092843 550.50894995 556.43861666
DG(15:0/0:0/15:0) (d5) C33H59D5O5 545.50675888 1 - 544.49948243 580.47616016 526.48891774 528.50347065 546.51403533 568.49597958 563.54058443 578.54025008 584.46991679
DG(16:0/0:0/16:0) (d5) C35H63D5O5 573.53805901 3 - 572.53078255 608.50746029 554.52021787 556.53477077 574.54533546 596.52727971 591.57188455 606.57155021 612.50121692
DG(17:0/0:0/17:0) (d5) C37H67D5O5 601.56935913 0 - 600.56208268 636.53876041 582.551518 584.5660709 602.57663559 624.55857983 619.60318468 634.60285033 640.53251704
DG(19:0/0:0/19:0) (d5) C41H75D5O5 657.63195939 2 - 656.62468294 692.60136067 638.61411825 640.62867116 658.63923584 680.62118009 675.66578494 690.66545059 696.5951173
DG(20:0/0:0/20:0) (d5) C43H79D5O5 685.66325952 4 - 684.65598307 720.6326608 666.64541838 668.65997129 686.67053597 708.65248022 703.69708507 718.69675072 724.62641743
DG(20:2(11Z,14Z)/0:0/20:2(11Z,14Z)) (d5) C43H71D5O5 677.60065926 5 - 676.59338281 712.57006054 658.58281813 660.59737103 678.60793571 700.58987996 695.63448481 710.63415046 716.56381717
DG(20:4(5Z,8Z,11Z,14Z)/0:0/20:4(5Z,8Z,11Z,14Z)) (d5) C43H63D5O5 669.53805901 4 - 668.53078255 704.50746029 650.52021787 652.53477077 670.54533546 692.52727971 687.57188455 702.57155021 708.50121692
DG(20:5/0:0/20:5) (d5) C43H59D5O5 665.50675888 4 - 664.49948243 700.47616016 646.48891774 648.50347065 666.51403533 688.49597958 683.54058443 698.54025008 704.46991679
CL(1'-[14:1/14:1],3'-[14:1/15:1])[rac] C66H120O17P2 1246.80007638 5 - 1245.79279993 1281.76947766 1227.78223524 1229.79678815 1247.80735283 1269.78929708 1264.83390193 1279.83356758 1285.76323429
CL(1'-[15:0/15:0],3'-[15:0/16:1(9Z)])[rac] C70H134O17P2 1308.90962683 6 - 1307.90235038 1343.87902811 1289.89178569 1291.9063386 1309.91690328 1331.89884753 1326.94345238 1341.94311803 1347.87278474
CL(1'-[22:1(13Z)/22:1(13Z)],3'-[22:1(13Z)/14:1(9Z)])[rac] C89H166O17P2 1569.16002785 0 - 1568.1527514 1604.12942913 1550.14218672 1552.15673962 1570.1673043 1592.14924855 1587.1938534 1602.19351905 1608.12318576
CL(1'-[24:1(15Z)/24:1(15Z)],3'-[24:1(15Z)/14:1(9Z)])[rac] C95H178O17P2 1654.25728308 0 - 1653.25000662 1689.22668436 1635.23944194 1637.25399484 1655.26455953 1677.24650378 1672.29110862 1687.29077428 1693.22044099
TG(14:0/16:1/14:0) (d5) C47H83D5O6 753.68947427 1 - 752.68219781 788.65887555 734.67163313 736.68618603 754.69675072 776.67869497 771.72329981 786.72296547 792.65263218
TG(15:0/18:1/15:0) (d5) C51H91D5O6 809.75207452 1 - 808.74479807 844.7214758 790.73423339 792.74878629 810.75935097 832.74129522 827.78590007 842.78556572 848.71523243
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  • 25 of 743 molecules
439 molecule(s) with at least one fragmentation spectrum