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
LU112106	2	59	0.1801	39	0	H3N	CH-1N	C3H3N	CHNS	C3H9N3O2S2	C8H15N7O2S3	17.0264	24.9953	53.0264	58.9828	183.0134	Famotidine	3325	90
LU112106	3	59	0.1501	47	0	H3N	CH-2S	CH2N2	C3H3N	C3H9N3O2S2	C8H15N7O2S3	17.0264	41.9564	42.0218	53.0264	183.0134	Famotidine	3325	90
LU112106	4	53	0.1551	148	0	H3N	C3H3N	CHNS	C2N2S	C2H8N2O2S	C8H15N7O2S3	17.0264	53.0264	58.9828	83.9782	124.0306	Famotidine	3325	90
LU112106	5	51	0.1401	50	0	H3N	CH-1N	CH2N2	C3H2S	C3H9N3O2S2	C8H15N7O2S3	17.0264	24.9953	42.0218	69.9876	183.0134	Famotidine	3325	90
LU112106	6	46	0.1501	47	0	H3N	S	C2N2	C3H3N	C3H9N3O2S2	C8H15N7O2S3	17.0264	31.9720	52.0062	53.0264	183.0134	Famotidine	3325	90
LU112106	7	44	0.1201	58	0	H3N	CH-1N	CH-2S	C3H6N2	C3H9N3O2S2	C8H15N7O2S3	17.0264	24.9953	41.9564	70.0531	183.0134	Famotidine	3325	90