MSI_000025520

Unreliable

排名分数: 3.09
参考来源: Mus musculus (UBERON:0000913: interstitial fluid)

M/z: 742.9975
Mass Window: 742.9974 ~ 742.9976 (1.1 ppm)

参考注释

Buckminsterfullerene_[M+Na]+ (BioDeep_00000179249)
hentriacontacyclo[10.10.37.1^{3,7}.0^{2,16}.0^{4,23}.0^{5,29}.0^{6,31}.0^{8,13}.0^{9,32}.0^{10,34}.0^{11,50}.0^{15,58}.0^{17,57}.0^{18,22}.0^{19,55}.0^{20,44}.0^{21,25}.0^{24,28}.0^{26,43}.0^{27,40}.0^{30,39}.0^{33,38}.0^{35,49}.0^{36,47}.0^{37,41}.0^{42,46}.0^{45,54}.0^{48,53}.0^{51,59}.0^{52,56}.0^{14,60}]hexaconta-1(22),2(16),3,5(29),6,8(13),9,11(50),12(59),14(60),15(58),17(57),18,20,23,25,27,30(39),31,33,35,37,40,42,44,46,48,51,53,55-triacontaene

Formula: C60 (720)
SMILES:

C12=C3C4=C5C6=C1C7=C8C9=C1C\\%10=C\\%11C(=C29)C3=C2C3=C4C4=C5C5=C9C6=C7C6=C7C8=C1C1=C8C\\%10=C\\%10C\\%11=C2C2=C3C3=C4C4=C5C5=C\\%11C\\%12=C(C6=C95)C7=C1C1=C\\%12C5=C\\%11C4=C3C3=C5C(=C81)C\\%10=C23