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
LU119806 2 91 0.0585 239 0 CHN C6H6 C3H4O3 C10H11NO3 27.0109 78.0469 88.0161  4-Acetylaminophenylacetic acid 2018 90