view test-data/out_test02.txt @ 12:2203cb539e53 draft

Master branch Updating - - Fxx
author fgiacomoni
date Tue, 02 Oct 2018 04:42:27 -0400
parents 6091a80df951
children 625fa968d99a
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ID	Query(Da)	Delta	Metabolite_Name	Cpd_MW(Da)	Formula	Adduct	Adduct_MW(Da)	HMDB_ID
mz_00001	7.02080998	0	UNKNOWN	N/A	N/A	N/A	N/A	N/A
mz_00002	75.05547146	2	[N-Nitrosodimethylamine]	74.048012824	C2H6N2O	[M+H]	75.055289	HMDB0031419
mz_00002	75.05547146	2	[Acetylhydrazine]	74.048012824	C2H6N2O	[M+H]	75.055289	HMDB0060428
mz_00002	75.05547146	2	[glycinamide]	74.048012824	C2H6N2O	[M+H]	75.055289	HMDB0062472
mz_00002	75.05547146	2	[Creatine]	131.069476547	C4H9N3O2	[M+H+NH4]	75.055288	HMDB0000064
mz_00002	75.05547146	2	[Beta-Guanidinopropionic acid]	131.069476547	C4H9N3O2	[M+H+NH4]	75.055288	HMDB0013222
mz_00003	75.08059797	0	[UNKNOWN]	177.943225506	H4O7P2	[M+H+2Na]	75.080599	HMDB0155221
mz_00003	75.08059797	2	[1-Butanol]	74.073164942	C4H10O	[M+H]	75.080441	HMDB0004327
mz_00003	75.08059797	2	[UNKNOWN]	74.073164942	C4H10O	[M+H]	75.080441	HMDB0062103
mz_00003	75.08059797	2	[1-hydroperoxy-8-carboxyoctyl 3,4-epoxynon-(2E)-enyl ether]	74.073164942	C4H10O	[M+H]	75.080441	HMDB0062326
mz_00003	75.08059797	2	[2-Butanol]	74.073164942	C4H10O	[M+H]	75.080441	HMDB0011469
mz_00004	76.03942694	2	[L-Aspartic acid]	133.037507717	C4H7NO4	[M+H+NH4]	76.039304	HMDB0000191
mz_00004	76.03942694	2	[Ethyl nitrite]	75.032028409	C2H5NO2	[M+H]	76.039304	HMDB0031239
mz_00004	76.03942694	2	[1-deoxy-1-(N6-lysino)-D-fructose]	133.037507709	C4H7NO4	[M+H+NH4]	76.039304	HMDB0062186
mz_00004	76.03942694	2	[Glycine]	75.032028409	C2H5NO2	[M+H]	76.039304	HMDB0000123
mz_00004	76.03942694	2	[Acetohydroxamic Acid]	75.032028409	C2H5NO2	[M+H]	76.039304	HMDB0014691
mz_00005	76.07584477	2	[3-aminopropan-1-ol]	75.068413915	C3H9NO	[M+H]	76.07569	HMDB0140038
mz_00005	76.07584477	2	[1-Amino-propan-2-ol]	75.068413915	C3H9NO	[M+H]	76.07569	HMDB0012136
mz_00005	76.07584477	2	[2-(methylamino)ethan-1-ol]	75.068413914	C3H9NO	[M+H]	76.07569	HMDB0142449
mz_00005	76.07584477	2	[Trimethylamine N-oxide]	75.068413915	C3H9NO	[M+H]	76.07569	HMDB0000925
mz_00005	76.07584477	2	[Allyl alcohol]	58.041864814	C3H6O	[M+NH4]	76.075688	HMDB0031652
mz_00006	76.07593168	3	[3-aminopropan-1-ol]	75.068413915	C3H9NO	[M+H]	76.07569	HMDB0140038
mz_00006	76.07593168	3	[1-Amino-propan-2-ol]	75.068413915	C3H9NO	[M+H]	76.07569	HMDB0012136
mz_00006	76.07593168	3	[2-(methylamino)ethan-1-ol]	75.068413914	C3H9NO	[M+H]	76.07569	HMDB0142449
mz_00006	76.07593168	3	[Trimethylamine N-oxide]	75.068413915	C3H9NO	[M+H]	76.07569	HMDB0000925
mz_00006	76.07593168	3	[Allyl alcohol]	58.041864814	C3H6O	[M+NH4]	76.075688	HMDB0031652