database_identifier	chemical_formula	smiles	inchi	metabolite_identification	metabolite_class	mass_to_charge	fragmentation	modifications	charge	retention_time	taxid	species	database	database_version	reliability	search_engine	search_engine_score	peak_identifier	04_01	04_02	04_03	04_04	04_05	04_06	04_07	04_08	04_09	04_10	04_11	04_12	04_13	04_14	04_15	04_16	04_17	04_18	04_19	04_20	04_21	04_22	04_23	04_24
CHEBI:16643	C5H11NO2S	CSCC[C@H](N)C(O)=O	InChI=1S/C5H11NO2S/c1-9-3-2-4(6)5(7)8/h4H,2-3,6H2,1H3,(H,7,8)/t4-/m0/s1	L-methionine	Amino acids	150.1	61.40 | 56.40	[M+H]+	1	6	7227	Drosophila melanogaster	CHEBI		MSI:1				44.4039	32.093	35.2152	29.3584	41.4025	36.0248	0.6101	0.5855	0.5044	1.2004	0.6976	0.9201	25.8644	20.3388	18.424	20.3712	18.6463	24.7801	0.8349	0.6892	0.7961	0.449	0.7314	0.6047
CHEBI:15414	C15H23N6O5S	C[S+](CC[C@H](N)C(O)=O)C[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N)ncnc12	InChI=1S/C15H22N6O5S/c1-27(3-2-7(16)15(24)25)4-8-10(22)11(23)14(26-8)21-6-20-9-12(17)18-5-19-13(9)21/h5-8,10-11,14,22-23H,2-4,16H2,1H3,(H2-,17,18,19,24,25)/p+1/t7-,8+,10+,11+,14+,27?/m0/s1	S-adenosyl-L-methionine	Purines	398.95	250.40 | 97.30 | 136.40 | 102.30 | 56.35	[M+H]+	1	8.45	7227	Drosophila melanogaster	CHEBI		MSI:1				0.8942	0.9088	0.9732	0.9358	1.0703	0.9858	0.5183	0.4999	0.5038	0.5166	0.5055	0.5321	0.9415	0.6866	0.684	0.8079	0.8519	0.8966	0.5011	0.5264	0.4913	0.504	0.5306	0.4604
CHEBI:16680	C14H20N6O5S	N[C@@H](CCSC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N)ncnc12)C(O)=O	InChI=1S/C14H20N6O5S/c15-6(14(23)24)1-2-26-3-7-9(21)10(22)13(25-7)20-5-19-8-11(16)17-4-18-12(8)20/h4-7,9-10,13,21-22H,1-3,15H2,(H,23,24)(H2,16,17,18)/t6-,7+,9+,10+,13+/m0/s1	S-adenosyl-L-homocysteine	Purines	385	136.35 | 134.40 | 88.30 | 97.30	[M+H]+	1	9.2	7227	Drosophila melanogaster	CHEBI		MSI:1				0.13	0.122	0.1235	0.1172	0.1566	0.1711	0.0746	0.0738	N.D.	N.D.	0.0722	0.0714	0.1003	0.089	0.1011	0.1051	0.1236	0.1003		0.0714	0.0754	0.0722	0.077	N.D.
CHEBI:17016	C5H11NO3S	CS(=O)CC[C@H](N)C(O)=O	InChI=1S/C5H11NO3S/c1-10(9)3-2-4(6)5(7)8/h4H,2-3,6H2,1H3,(H,7,8)/t4-,10?/m0/s1	L-methionine S-oxide	Amino acids	166	74.35 | 56.40 | 75.40 | 149.35 | 85.30	[M+H]+	1	2	7227	Drosophila melanogaster	CHEBI		MSI:1				85.2994	103.5283	118.0121	91.3058	84.0888	102.5051	0.2684	0.2912	0.1787	0.3012	0.3341	0.2496	129.6305	119.8922	141.1929	126.168	136.2497	135.8377	103.5692	103.7417	106.6348	98.8506	124.5019	100.0444