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 Small Neutral Loss Neutral Intensity Smallest Fragment Small Frag Intensity over under over intense Under intense dispersion
LU106303 2 97 0.1251 228 999 CH2N2 CH-1N H3N C7H5N C9H9N5 42.0216 24.9952 17.0264 103.0422 PCID 7064 45 42.0218 45 67.01703 21 3 2 116 108 42
LU106303 3 93 0.1667 128 999 CH2N2 CH2N2 C7H5N C9H9N5 42.0216 42.0216 103.0422 PCID 7064 45 42.0218 45 67.01703 21 3 2 116 108 10
LU106303 4 92 0.1438 183 999 H3N CH-1N C2HN3 C6H6 C9H9N5 17.0264 24.9952 67.0170 78.0468 PCID 7064 45 42.0218 45 67.01703 21 3 2 116 108 60
LU106303 5 91 0.1001 153 999 C2HN3 H3N C7H5N C9H9N5 67.0170 17.0264 103.0422 PCID 7064 45 42.0218 45 67.01703 21 3 2 116 108 37
LU106303 6 85 0.1550 323 999 CH-1N H3N CH-1N CH2N2 C6H6 C9H9N5 24.9952 17.0264 24.9952 42.0216 78.0468 PCID 7064 45 42.0218 45 67.01703 21 3 2 116 108 64
LU106303 7 83 0.1000 500 999 H3N H3N CH-1N C7H5N CH-1N C9H9N5 17.0264 17.0264 24.9952 103.0422 24.9952 PCID 7064 45 42.0218 45 67.01703 21 3 2 116 108 75