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 753.689429712083 0 - 752.6821532584479 788.6589171850181 734.6715885719925 736.6861414786293 754.696706162174 776.678650412174 771.7232552586293 786.7229209118658 792.6526667683985
d5-DG ISTD Mix I C43H59D5O5 665.506714323316 0 - 664.499437873225 700.4762017959606 646.4888731896806 648.5034260934067 666.5139907734066 688.4959350234069 683.5405398734068 698.5402055230984 704.4699513793621
Cardiolipin Mix I C95H178O17P2 1654.25733099061 0 - 1653.2500545296944 1689.2267305539126 1635.239489825279 1637.254042727101 1655.2646074415197 1677.2465516906993 1672.2911565339762 1687.2908222117312 1693.2204889006991
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
Eicosapentaenoic acid EPA C20H30O2 302.2245802 446284 0 - 301.21730374990926 337.19398147990927 283.20673905990924 285.22129197009076 303.2318566500907 325.21380090009075 320.25840575009073 335.2580714000907 341.1877381100907
testx C6H13NO2 131.09462866 6107 0 - 130.08735219990925 166.06402993990923 112.07678751990923 114.09134042009076 132.10190511009077 154.08384936009077 149.12845420009077 164.12811986009078 170.05778657009077
testy C6H13NO2 131.09462866 6108 0 - 130.08735219990925 166.06402993990923 112.07678751990923 114.09134042009076 132.10190511009077 154.08384936009077 149.12845420009077 164.12811986009078 170.05778657009077
Cholesteryl acetate C29H48O2 428.36543078 6427285 0 - 427.35815431990926 463.3348320599093 409.34758963990924 411.36214254009076 429.3727072300907 451.35465148009075 446.39925632009073 461.39892198009073 467.3285886900907
DPPI(4,5)P2 C41H78O19P3 967.435019189922 0 - 966.4277427298309 1002.4044180757176 948.4171780498313 950.4317309500126 968.4422956400125 990.4242398900125 985.4688447300125 1000.4685103900124 1006.3981765897939
1,3-Diolein C39H72O5 620.5379754 5497165 0 - 619.5306989499093 655.5073766799093 601.5201342699092 603.5346871700907 621.5452518600907 643.5271961000907 638.5718009500907 653.5714666000907 659.5011333100907
1,2-Dioleoyl-rac-glycerol C39H72O5 620.5379754 9543716 0 - 619.5306989499093 655.5073766799093 601.5201342699092 603.5346871700907 621.5452518600907 643.5271961000907 638.5718009500907 653.5714666000907 659.5011333100907
Monoolein C21H40O4 356.29265976 16081932 0 - 355.28538330990926 391.26206103990927 337.27481861990924 339.28937153009076 357.2999362100907 379.28188046009075 374.32648531009073 389.32615096009073 395.2558176700907
Acetylcholine chloride C7H16ClNO2 181.08695645 6060 0 - 180.07967999990925 216.05635772990922 162.06911531990923 164.08366822009077 182.09423290009076 204.07617715009076 199.12078200009077 214.12044765009077 220.05011436009076
Aminobenzoic acid H2NC6H4CO2H 137.04767846 7057990 0 - 136.04040200990923 172.01707973990924 118.02983732990924 120.04439023009077 138.05495492009075 160.03689916009077 155.08150401009075 170.08116966009075 176.01083637009077
18:1 CA Cardiolipin C81H148O17P2 1455.01918683799 0 - 1454.0119103778975 1489.988580976512 1436.0013456978972 1438.0158985980788 1456.026463288079 1478.0084075380792 1473.0530123780788 1488.0526780380787 1493.9823394918776
18:1 DAG C39H72O5 620.537978309922 0 - 619.530701859831 655.5073785399529 601.5201371798312 603.5346900800124 621.5452547700125 643.5271990100126 638.5718038600127 653.5714695100127 659.5011362200125
POPS C40H75NO10P 760.512862509922 0 - 759.5055860598311 795.482262739953 741.4950213698311 743.5095742800125 761.5201389600126 783.5020832100126 778.5466880600127 793.5463537100127 799.4760204200127
DOPS C42H77NO10P 786.528512569922 0 - 785.521236119831 821.497912799953 767.510671439831 769.5252243400126 787.5357890300124 809.5177332700124 804.5623381200124 819.5620037700126 825.4916783121607
P14P C47H82O16P2 964.50781054 46891797 0 - 963.5005340899093 999.4772118199093 945.4899694099092 947.5045223100907 965.5150870000907 987.4970312400908 982.5416360900907 997.5413017400907 1003.4709684500907
DOPG C42H78O10P 773.533263609922 0 - 772.5259871498309 808.5026638399528 754.515422469831 756.5299753700126 774.5405400600124 796.5224843100126 791.5670891500125 806.5667548100126 812.4964293521608
POPA C37H70O8P 673.480839420631 0 - 672.4735629705406 708.4502343399528 654.4629982805408 656.4775511907221 674.4881158707221 696.470060120722 691.5146649707222 706.5143306207221 712.4439973307221
DOPA C39H72O8P 699.496484169922 0 - 698.4892077198311 734.4658843999528 680.4786430398312 682.4931959400127 700.5037606300125 722.4857048700126 717.5303097200127 732.5299753700127 738.4596420800125
18:0 Lyso PI C27H52O12P 599.319650739973 0 - 598.3123742898823 634.2890422399529 580.3018096098822 582.3163625100638 600.3269272000637 622.3088714400639 617.3534762900637 632.3531385207222 638.282801292416
DOPI C45H83O13P 862.55712972 0 - 861.5498532599092 897.5265309999093 843.5392885799092 845.5538414800907 863.5644061700907 885.5463504200908 880.5909552600907 895.5906209200907 901.5202876300907
439 molecule(s) with at least one fragmentation spectrum