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
LU067603 2 82 0.1686 47 0 H2O C15H8NCl C2H3N C4H8 C21H21N2OCl 18.0104 237.0342 41.0266 56.0627  PK 11195 1345 45
LU067603 3 81 0.1149 305 0 H2O C15H8N C2H3N Cl C4H8 C21H21N2OCl 18.0104 202.0654 41.0266 34.9689 56.0627  PK 11195 1345 45
LU067603 4 69 0.1599 144 0 H2O C13H5 C2H3N C2H3NCl C4H8 C21H21N2OCl 18.0104 161.0386 41.0266 75.9955 56.0627  PK 11195 1345 45
LU067603 5 65 0.1499 80 0 H2O C14H7Cl CHN C2H3N C4H8 C21H21N2OCl 18.0104 210.0233 27.0110 41.0266 56.0627  PK 11195 1345 45
LU067603 6 53 0.1686 119 0 Cl C15H8N H2O C6H11N C21H21N2OCl 34.9689 202.0654 18.0104 97.0894  PK 11195 1345 45
LU067603 7 52 0.2582 18 0 H2O C15H8NCl C6H11N C21H21N2OCl 18.0104 237.0342 97.0894  PK 11195 1345 45