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
LU032805	2	38	1.4149	13	0	HN3	C2H4O2	C3H3NF	C5H3N2	C5H11NO3	C15H22N7O5F	43.0188	60.0224	72.0224	91.0309	133.0736	PCID	6167	75	105.078	224	90.04703	177	9	2	705	133	36
LU032805	3	37	0.1651	121	0	CH3	CO	C14H10O	CHO	C5H11NO3	C22H25NO6	15.0236	27.9950	194.0730	29.0026	133.0736	PCID	6167	75	105.078	224	90.04703	177	9	2	705	133	70
LU032805	4	37	1.0499	41	0	C2H4O	C2H4O2	C3H4O2	C2H6N2S	C5H11NO3	C14H29N3O8S	44.0265	60.0224	72.0224	90.0232	133.0736	PCID	6167	75	105.078	224	90.04703	177	9	2	705	133	51
LU032805	5	36	0.7349	30	0	C3H4	C2H4O2	C3H4O2	C2H7O2P	C5H11NO3	C15H30NO9P	40.0317	60.0224	72.0224	94.0180	133.0736	PCID	6167	75	105.078	224	90.04703	177	9	2	705	133	65
LU032805	6	35	0.6250	22	0	CH3	C2H4O2	C3H4O2	C4H8O2P	C5H11NO3	C15H30NO9P	15.0236	60.0224	72.0224	119.0261	133.0736	PCID	6167	75	105.078	224	90.04703	177	9	2	705	133	70
LU032805	7	35	1.0600	31	0	C2H3	C2H4O2	C3H4O2	C2H7N2OS	C5H11NO3	C14H29N3O8S	27.0238	60.0224	72.0224	107.0259	133.0736	PCID	6167	75	105.078	224	90.04703	177	9	2	705	133	60