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	01_01	01_02	01_03	01_04	01_05	01_06	01_07	01_08	01_09	01_10	01_11	01_12
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				28.2308	28.3177	24.7873	25.4168	27.3482	24.2997	1.4837	1.3417	1.559	1.2017	1.3732	2.3556
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				1.6851	1.771	1.6255	1.667	1.9533	1.6447	0.8281	0.8464	0.8627	0.8525	0.882	0.8647
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				0.1679	0.126	0.1708	0.1562	0.1563	0.1495	0.0797	0.0809	0.097	0.092	0.0844	0.1073
CHEBI:17482	C7H14N2O4S	N[C@@H](CCSC[C@H](N)C(O)=O)C(O)=O	InChI=1S/C7H14N2O4S/c8-4(6(10)11)1-2-14-3-5(9)7(12)13/h4-5H,1-3,8-9H2,(H,10,11)(H,12,13)/t4-,5-/m0/s1	L-cystathionine	Amino acids	222.95	88.35 | 134.35 | 56.40 | 133.20	[M+H]+	1	1.86	7227	Drosophila melanogaster	CHEBI		MSI:1				1.038	0.9788	0.7416	0.7935	0.7813	0.7676	0.1052	0.1276	0.0987	0.1782	0.1784	0.1713
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				285.733	279.2815	278.5032	276.1555	266.7047	271.5345	0.8075	0.4389	0.4828	0.7098	0.4869	0.5267