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
LU044203	2	59	0.1751	34	0	NO2	C2H4NO3P	C3H9NO	C5H12N4F	C7H6	C17H31N7O6PF	45.9926	120.9927	75.0682	147.1048	90.0470	PCID	4474	45	121.089	146	57.05783	11	7	4	116	148	172
LU044203	3	58	0.1451	34	0	NO2	C3H7N	C7H6	C2H4NO3P	C5H14N4OF	C17H31N7O6PF	45.9926	57.0578	90.0470	120.9927	165.1152	PCID	4474	45	121.089	146	57.05783	11	7	4	116	148	172
LU044203	4	57	0.0600	300	0	H2O	C10H13N	C2H3NO3	C7H6	C7H5NO2	C26H29N3O6	18.0104	147.1048	89.0112	90.0470	135.0320	PCID	4474	45	121.089	146	57.05783	11	7	4	116	148	106
LU044203	5	57	0.4200	14	0	CH4O	C3H3O2S2	C3H9NO	C5H12N4F	C7H6	C19H34N5O4S2F	32.0262	134.9592	75.0682	147.1048	90.0470	PCID	4474	45	121.089	146	57.05783	11	7	4	116	148	197
LU044203	6	56	0.5900	19	0	CH4O	C3H7N	C7H6	C3H3O2S2	C8H13N4	C22H33N5O3S2	32.0262	57.0578	90.0470	134.9592	165.1152	PCID	4474	45	121.089	146	57.05783	11	7	4	116	148	197
LU044203	7	55	0.0752	144	0	C3H9NO	C7H6	C10H13N	C6HNO5		C26H29N3O6	75.0682	90.0470	147.1048	166.9854		PCID	4474	45	121.089	146	57.05783	11	7	4	116	148	172