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 959.727295199922 0 - 958.7200187498311 994.6967013848183 940.7094540698312 942.7240069700124 960.7345716500125 982.7165159000125 977.7611207500123 992.7607864000125 998.6904609421609
DPPI-3P C41H77O16P2 887.468688289922 0 - 886.461411839831 922.4380885199529 868.450847159831 870.4654000600127 888.4759647500124 910.4579089900127 905.5025138400125 920.5021794900125 926.4318456897938
DPPI-4-P PI-4-P dipalmitoyl C41H77O16P2 887.468688289922 0 - 886.461411839831 922.4380885199529 868.450847159831 870.4654000600127 888.4759647500124 910.4579089900127 905.5025138400125 920.5021794900125 926.4318456897938
N-C18:0 Phytoceramide C36H73NO4 583.553971459973 3 - 582.5466949998823 618.5233629599528 564.5361303198822 566.5506832200637 584.5612479100636 606.5431921600637 601.5877970000637 616.5874626600637 622.517122012416
TAG C53H100O6 832.751993829922 9 - 831.744717379831 867.7214000148182 813.734152689831 815.7487056000125 833.7592702800125 855.7412145300126 850.7858193800125 865.7854850300124 871.7151595721608
MAG C21H40O4 356.292671399973 6 - 355.2853949498822 391.26207000959147 337.27483025988215 339.2893831700636 357.29994785006363 379.2818921000637 374.3264969500637 389.3261626000637 395.25582195241606
Lactosyl(ß) C12 Ceramide C30H59NO3 481.449506389973 5 - 480.44222993988217 516.418897889953 462.4316652498822 464.4462181600637 482.4567828400637 504.4387270900636 499.48333194006364 514.4829975900637 520.4126569424161
Glucosyl(ß) C12 Ceramide C30H60NO6P 561.415837279973 3 - 560.4085608298822 596.385228779953 542.3979961398823 544.4125490500638 562.4231137300637 584.4050579800637 579.4496628300639 594.4493284800639 600.3789878324161
Pelargonidin3-sophoroside C28H33O14 593.18703074 0 - 592.1797542799093 628.1564320199093 574.1691895999093 576.1837425000907 594.1943071900907 616.1762514400907 611.2208562800907 626.2205219400907 632.1501886500907
Pelargonidin3-sophoroside C28H33O14 593.18703074 0 - 592.1797542799093 628.1564320199093 574.1691895999093 576.1837425000907 594.1943071900907 616.1762514400907 611.2208562800907 626.2205219400907 632.1501886500907
DG(14:0/0:0/14:0) (d5) C31H55D5O5 517.47545875 3 - 516.4681822999092 552.4448600299093 498.4576176099093 500.47217052009074 518.4827352000907 540.4646794500908 535.5092843000907 550.5089499500907 556.4386166600907
DG(15:0/0:0/15:0) (d5) C33H59D5O5 545.50675888 1 - 544.4994824299092 580.4761601599092 526.4889177399093 528.5034706500908 546.5140353300908 568.4959795800908 563.5405844300907 578.5402500800907 584.4699167900908
DG(16:0/0:0/16:0) (d5) C35H63D5O5 573.53805901 3 - 572.5307825499093 608.5074602899093 554.5202178699093 556.5347707700907 574.5453354600908 596.5272797100907 591.5718845500908 606.5715502100908 612.5012169200908
DG(17:0/0:0/17:0) (d5) C37H67D5O5 601.56935913 0 - 600.5620826799093 636.5387604099093 582.5515179999093 584.5660709000907 602.5766355900907 624.5585798300907 619.6031846800907 634.6028503300907 640.5325170400907
DG(19:0/0:0/19:0) (d5) C41H75D5O5 657.63195939 2 - 656.6246829399092 692.6013606699092 638.6141182499092 640.6286711600908 658.6392358400907 680.6211800900908 675.6657849400907 690.6654505900907 696.5951173000907
DG(20:0/0:0/20:0) (d5) C43H79D5O5 685.66325952 4 - 684.6559830699092 720.6326607999092 666.6454183799093 668.6599712900908 686.6705359700908 708.6524802200908 703.6970850700907 718.6967507200908 724.6264174300908
DG(20:2(11Z,14Z)/0:0/20:2(11Z,14Z)) (d5) C43H71D5O5 677.60065926 5 - 676.5933828099093 712.5700605399093 658.5828181299092 660.5973710300907 678.6079357100907 700.5898799600907 695.6344848100907 710.6341504600907 716.5638171700907
DG(20:4(5Z,8Z,11Z,14Z)/0:0/20:4(5Z,8Z,11Z,14Z)) (d5) C43H63D5O5 669.53805901 4 - 668.5307825499093 704.5074602899093 650.5202178699093 652.5347707700907 670.5453354600908 692.5272797100907 687.5718845500908 702.5715502100908 708.5012169200908
DG(20:5/0:0/20:5) (d5) C43H59D5O5 665.50675888 4 - 664.4994824299092 700.4761601599092 646.4889177399093 648.5034706500908 666.5140353300908 688.4959795800908 683.5405844300907 698.5402500800907 704.4699167900908
CL(1'-[14:1/14:1],3'-[14:1/15:1])[rac] C66H120O17P2 1246.80007638 5 - 1245.7927999299093 1281.7694776599092 1227.7822352399094 1229.7967881500908 1247.8073528300908 1269.7892970800908 1264.8339019300906 1279.8335675800906 1285.7632342900906
CL(1'-[15:0/15:0],3'-[15:0/16:1(9Z)])[rac] C70H134O17P2 1308.90962683 6 - 1307.9023503799092 1343.8790281099093 1289.8917856899093 1291.9063386000907 1309.9169032800908 1331.8988475300907 1326.9434523800908 1341.9431180300908 1347.8727847400908
CL(1'-[22:1(13Z)/22:1(13Z)],3'-[22:1(13Z)/14:1(9Z)])[rac] C89H166O17P2 1569.16002785 0 - 1568.1527513999092 1604.1294291299093 1550.1421867199092 1552.1567396200908 1570.1673043000908 1592.1492485500908 1587.1938534000908 1602.1935190500908 1608.1231857600908
CL(1'-[24:1(15Z)/24:1(15Z)],3'-[24:1(15Z)/14:1(9Z)])[rac] C95H178O17P2 1654.25728308 0 - 1653.2500066199093 1689.2266843599093 1635.2394419399093 1637.2539948400906 1655.2645595300908 1677.2465037800907 1672.2911086200907 1687.2907742800908 1693.2204409900908
TG(14:0/16:1/14:0) (d5) C47H83D5O6 753.68947427 1 - 752.6821978099092 788.6588755499092 734.6716331299093 736.6861860300908 754.6967507200908 776.6786949700908 771.7232998100907 786.7229654700907 792.6526321800908
TG(15:0/18:1/15:0) (d5) C51H91D5O6 809.75207452 1 - 808.7447980699093 844.7214757999093 790.7342333899093 792.7487862900907 810.7593509700907 832.7412952200907 827.7859000700907 842.7855657200907 848.7152324300907
439 molecule(s) with at least one fragmentation spectrum