MB spectrum Partition Partition Score  Mass Error Feasibilty % Precursor SF1 SF2 SF3 SF4 SF5 Whole Formula SFmass1 SFmass2 SFmass3 SFmass4 SFmass5 Compound Pubchem CID  CE
LU125401 2 84 0.1303 292 0 C2H4O C4H8 C4H10O C4H8O2 C8H12O4 C22H42O8 44.0264 56.0624 74.0730 88.0524 172.0736  Bis[2-(2-butoxyethoxy)ethyl] hexandioate 8836 15
LU125401 3 84 0.1201 408 0 C2H4O C2H6O2 C4H10O C6H12O C8H10O3 C22H42O8 44.0264 62.0368 74.0730 100.0888 154.0632  Bis[2-(2-butoxyethoxy)ethyl] hexandioate 8836 15
LU125401 4 83 0.1202 408 0 H2O C2H6O2 C6H10 C6H14O2 C8H10O3 C22H42O8 18.0104 62.0368 82.0782 118.0992 154.0632  Bis[2-(2-butoxyethoxy)ethyl] hexandioate 8836 15
LU125401 5 82 0.1202 408 0 C4H8 C2H6O2 C4H10O C4H8O2 C8H10O3 C22H42O8 56.0624 62.0368 74.0730 88.0524 154.0632  Bis[2-(2-butoxyethoxy)ethyl] hexandioate 8836 15
LU125401 6 82 0.0802 362 0 C2H6O2 C2O3 C6H10 C6H12O C6H14O2 C22H42O8 62.0368 71.9848 82.0782 100.0888 118.0992  Bis[2-(2-butoxyethoxy)ethyl] hexandioate 8836 15
LU125401 7 81 0.1404 349 0 C4H8 C4H8O2 H2O C8H10O3 C6H14O2 C22H42O8 56.0624 88.0524 18.0104 154.0632 118.0992  Bis[2-(2-butoxyethoxy)ethyl] hexandioate 8836 15