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
LU101353 2 36 0.1378 152 0 H2O C7H6O3 C8H10O3 C18H22N2O2 C33H40N2O9 18.0104 138.0314 154.0629 298.1681  Reserpine 5770 45
LU101353 3 36 0.1501 266 0 H2O C7H6O3 C2H4O C6H6O2 C18H22N2O2 C33H40N2O9 18.0104 138.0314 44.0263 110.0366 298.1681  Reserpine 5770 45
LU101353 4 35 0.1102 356 0 H2O CO C6H6O2 C8H10O3 C18H22N2O2 C33H40N2O9 18.0104 27.9948 110.0366 154.0629 298.1681  Reserpine 5770 45
LU101353 5 34 0.1301 308 0 H2O C7H6O3 C3H4O2 C5H6O C18H22N2O2 C33H40N2O9 18.0104 138.0314 72.0210 82.0419 298.1681  Reserpine 5770 45
LU101353 6 32 0.0800 670 0 C6H6O2 CO C5H6O C3H4O2 C18H24N2O3 C33H40N2O9 110.0366 27.9948 82.0419 72.0210 316.1787  Reserpine 5770 45
LU101353 7 31 0.0752 279 0 CO C6H6O2 C8H10O3 C18H24N2O3 C33H40N2O9 27.9948 110.0366 154.0629 316.1787  Reserpine 5770 45