Metabolomics Workbench : NIH Data Repository

Analysis	Metabolite Name	Measured Value	Units	CASE_CONTROL	Chemotherapy	Drug	Race	TIMEPOINT	Tamoxyfen	Taxane
Reversed phase NEGATIVE ION MODE	PINITOL (CAS# 10284-63-6); (M+CL)-	1829	Peak area	Case	N	Letrozole	White	Baseline	Y	N
Reversed phase NEGATIVE ION MODE	PINITOL (CAS# 10284-63-6); (M+CL)-	4158	Peak area	Control	Y	Exemestane	White	3 Month	Y	Y
Reversed phase NEGATIVE ION MODE	PINITOL (CAS# 10284-63-6); (M+CL)-		Peak area	Case	N	Exemestane	Black	3 Month	N	N
Reversed phase NEGATIVE ION MODE	PINITOL (CAS# 10284-63-6); (M+CL)-		Peak area	Case	N	Exemestane	Black	Baseline	N	N
Reversed phase NEGATIVE ION MODE	PINITOL (CAS# 10284-63-6); (M+CL)-		Peak area	Case	N	Exemestane	White	3 Month	N	N
Reversed phase NEGATIVE ION MODE	PINITOL (CAS# 10284-63-6); (M+CL)-		Peak area	Case	N	Exemestane	White	3 Month	Y	N
Reversed phase NEGATIVE ION MODE	PINITOL (CAS# 10284-63-6); (M+CL)-		Peak area	Case	N	Exemestane	White	Baseline	N	N
Reversed phase NEGATIVE ION MODE	PINITOL (CAS# 10284-63-6); (M+CL)-		Peak area	Case	N	Exemestane	White	Baseline	Y	N
Reversed phase NEGATIVE ION MODE	PINITOL (CAS# 10284-63-6); (M+CL)-		Peak area	Case	N	Letrozole	Black	3 Month	N	N
Reversed phase NEGATIVE ION MODE	PINITOL (CAS# 10284-63-6); (M+CL)-		Peak area	Case	N	Letrozole	Black	Baseline	N	N
Reversed phase NEGATIVE ION MODE	PINITOL (CAS# 10284-63-6); (M+CL)-		Peak area	Case	N	Letrozole	White	3 Month	N	N
Reversed phase NEGATIVE ION MODE	PINITOL (CAS# 10284-63-6); (M+CL)-		Peak area	Case	N	Letrozole	White	3 Month	Y	N
Reversed phase NEGATIVE ION MODE	PINITOL (CAS# 10284-63-6); (M+CL)-		Peak area	Case	N	Letrozole	White	Baseline	N	N
Reversed phase NEGATIVE ION MODE	PINITOL (CAS# 10284-63-6); (M+CL)-		Peak area	Case	N	Letrozole	White	Baseline	Y	N
Reversed phase NEGATIVE ION MODE	PINITOL (CAS# 10284-63-6); (M+CL)-		Peak area	Case	Y	Exemestane	Black	3 Month	N	Y
Reversed phase NEGATIVE ION MODE	PINITOL (CAS# 10284-63-6); (M+CL)-		Peak area	Case	Y	Exemestane	Black	Baseline	N	Y
Reversed phase NEGATIVE ION MODE	PINITOL (CAS# 10284-63-6); (M+CL)-		Peak area	Case	Y	Exemestane	White	3 Month	N	Y
Reversed phase NEGATIVE ION MODE	PINITOL (CAS# 10284-63-6); (M+CL)-		Peak area	Case	Y	Exemestane	White	3 Month	Y	N
Reversed phase NEGATIVE ION MODE	PINITOL (CAS# 10284-63-6); (M+CL)-		Peak area	Case	Y	Exemestane	White	3 Month	Y	Y
Reversed phase NEGATIVE ION MODE	PINITOL (CAS# 10284-63-6); (M+CL)-		Peak area	Case	Y	Exemestane	White	Baseline	N	Y
Reversed phase NEGATIVE ION MODE	PINITOL (CAS# 10284-63-6); (M+CL)-		Peak area	Case	Y	Exemestane	White	Baseline	Y	N
Reversed phase NEGATIVE ION MODE	PINITOL (CAS# 10284-63-6); (M+CL)-		Peak area	Case	Y	Exemestane	White	Baseline	Y	Y
Reversed phase NEGATIVE ION MODE	PINITOL (CAS# 10284-63-6); (M+CL)-		Peak area	Case	Y	Letrozole	White	3 Month	Y	Y
Reversed phase NEGATIVE ION MODE	PINITOL (CAS# 10284-63-6); (M+CL)-		Peak area	Case	Y	Letrozole	White	Baseline	Y	Y
Reversed phase NEGATIVE ION MODE	PINITOL (CAS# 10284-63-6); (M+CL)-		Peak area	Control	N	Exemestane	Black	3 Month	Y	N
Reversed phase NEGATIVE ION MODE	PINITOL (CAS# 10284-63-6); (M+CL)-		Peak area	Control	N	Exemestane	Black	Baseline	Y	N
Reversed phase NEGATIVE ION MODE	PINITOL (CAS# 10284-63-6); (M+CL)-		Peak area	Control	N	Exemestane	White	3 Month	N	N
Reversed phase NEGATIVE ION MODE	PINITOL (CAS# 10284-63-6); (M+CL)-		Peak area	Control	N	Exemestane	White	3 Month	Y	N
Reversed phase NEGATIVE ION MODE	PINITOL (CAS# 10284-63-6); (M+CL)-		Peak area	Control	N	Exemestane	White	Baseline	N	N
Reversed phase NEGATIVE ION MODE	PINITOL (CAS# 10284-63-6); (M+CL)-		Peak area	Control	N	Exemestane	White	Baseline	Y	N
Reversed phase NEGATIVE ION MODE	PINITOL (CAS# 10284-63-6); (M+CL)-		Peak area	Control	N	Letrozole	Black	3 Month	N	N
Reversed phase NEGATIVE ION MODE	PINITOL (CAS# 10284-63-6); (M+CL)-		Peak area	Control	N	Letrozole	Black	Baseline	N	N
Reversed phase NEGATIVE ION MODE	PINITOL (CAS# 10284-63-6); (M+CL)-		Peak area	Control	N	Letrozole	White	3 Month	N	N
Reversed phase NEGATIVE ION MODE	PINITOL (CAS# 10284-63-6); (M+CL)-		Peak area	Control	N	Letrozole	White	3 Month	Y	N
Reversed phase NEGATIVE ION MODE	PINITOL (CAS# 10284-63-6); (M+CL)-		Peak area	Control	N	Letrozole	White	Baseline	N	N
Reversed phase NEGATIVE ION MODE	PINITOL (CAS# 10284-63-6); (M+CL)-		Peak area	Control	N	Letrozole	White	Baseline	Y	N
Reversed phase NEGATIVE ION MODE	PINITOL (CAS# 10284-63-6); (M+CL)-		Peak area	Control	Y	Exemestane	White	3 Month	N	N
Reversed phase NEGATIVE ION MODE	PINITOL (CAS# 10284-63-6); (M+CL)-		Peak area	Control	Y	Exemestane	White	3 Month	N	Y
Reversed phase NEGATIVE ION MODE	PINITOL (CAS# 10284-63-6); (M+CL)-		Peak area	Control	Y	Exemestane	White	3 Month	Y	N
Reversed phase NEGATIVE ION MODE	PINITOL (CAS# 10284-63-6); (M+CL)-		Peak area	Control	Y	Exemestane	White	Baseline	N	N
Reversed phase NEGATIVE ION MODE	PINITOL (CAS# 10284-63-6); (M+CL)-		Peak area	Control	Y	Exemestane	White	Baseline	N	Y
Reversed phase NEGATIVE ION MODE	PINITOL (CAS# 10284-63-6); (M+CL)-		Peak area	Control	Y	Exemestane	White	Baseline	Y	N
Reversed phase NEGATIVE ION MODE	PINITOL (CAS# 10284-63-6); (M+CL)-		Peak area	Control	Y	Exemestane	White	Baseline	Y	Y
Reversed phase NEGATIVE ION MODE	PINITOL (CAS# 10284-63-6); (M+CL)-		Peak area	Control	Y	Letrozole	White	3 Month	Y	N
Reversed phase NEGATIVE ION MODE	PINITOL (CAS# 10284-63-6); (M+CL)-		Peak area	Control	Y	Letrozole	White	3 Month	Y	Y
Reversed phase NEGATIVE ION MODE	PINITOL (CAS# 10284-63-6); (M+CL)-		Peak area	Control	Y	Letrozole	White	Baseline	Y	N
Reversed phase NEGATIVE ION MODE	PINITOL (CAS# 10284-63-6); (M+CL)-		Peak area	Control	Y	Letrozole	White	Baseline	Y	Y
Reversed phase POSITIVE ION MODE	PINITOL (CAS# 10284-63-6); (M+NA)+	1223	Peak area	Control	N	Letrozole	White	3 Month	Y	N
Reversed phase POSITIVE ION MODE	PINITOL (CAS# 10284-63-6); (M+NA)+	1249	Peak area	Control	Y	Exemestane	White	3 Month	Y	N
Reversed phase POSITIVE ION MODE	PINITOL (CAS# 10284-63-6); (M+NA)+	1590	Peak area	Case	N	Letrozole	Black	Baseline	N	N
Reversed phase POSITIVE ION MODE	PINITOL (CAS# 10284-63-6); (M+NA)+	1733	Peak area	Case	Y	Exemestane	White	Baseline	N	Y
Reversed phase POSITIVE ION MODE	PINITOL (CAS# 10284-63-6); (M+NA)+	1888	Peak area	Control	Y	Exemestane	White	3 Month	N	N
Reversed phase POSITIVE ION MODE	PINITOL (CAS# 10284-63-6); (M+NA)+	1920	Peak area	Case	N	Letrozole	White	Baseline	N	N
Reversed phase POSITIVE ION MODE	PINITOL (CAS# 10284-63-6); (M+NA)+	1922	Peak area	Control	N	Letrozole	White	Baseline	Y	N
Reversed phase POSITIVE ION MODE	PINITOL (CAS# 10284-63-6); (M+NA)+	2010	Peak area	Control	N	Letrozole	White	3 Month	N	N
Reversed phase POSITIVE ION MODE	PINITOL (CAS# 10284-63-6); (M+NA)+	2077	Peak area	Control	Y	Exemestane	White	Baseline	N	Y
Reversed phase POSITIVE ION MODE	PINITOL (CAS# 10284-63-6); (M+NA)+	2551	Peak area	Control	Y	Exemestane	White	3 Month	N	Y
Reversed phase POSITIVE ION MODE	PINITOL (CAS# 10284-63-6); (M+NA)+	2832	Peak area	Case	N	Exemestane	White	3 Month	Y	N
Reversed phase POSITIVE ION MODE	PINITOL (CAS# 10284-63-6); (M+NA)+	2955	Peak area	Control	Y	Exemestane	White	3 Month	Y	N
Reversed phase POSITIVE ION MODE	PINITOL (CAS# 10284-63-6); (M+NA)+	2994	Peak area	Case	N	Exemestane	White	Baseline	N	N
Reversed phase POSITIVE ION MODE	PINITOL (CAS# 10284-63-6); (M+NA)+	3065	Peak area	Case	Y	Exemestane	White	3 Month	Y	N
Reversed phase POSITIVE ION MODE	PINITOL (CAS# 10284-63-6); (M+NA)+	3215	Peak area	Control	N	Letrozole	White	3 Month	N	N
Reversed phase POSITIVE ION MODE	PINITOL (CAS# 10284-63-6); (M+NA)+	3230	Peak area	Control	N	Exemestane	White	Baseline	N	N
Reversed phase POSITIVE ION MODE	PINITOL (CAS# 10284-63-6); (M+NA)+	3341	Peak area	Control	N	Exemestane	White	Baseline	Y	N
Reversed phase POSITIVE ION MODE	PINITOL (CAS# 10284-63-6); (M+NA)+	3555	Peak area	Case	Y	Exemestane	White	3 Month	N	Y
Reversed phase POSITIVE ION MODE	PINITOL (CAS# 10284-63-6); (M+NA)+	4188	Peak area	Control	Y	Exemestane	White	3 Month	N	Y
Reversed phase POSITIVE ION MODE	PINITOL (CAS# 10284-63-6); (M+NA)+	4430	Peak area	Control	N	Letrozole	White	Baseline	N	N
Reversed phase POSITIVE ION MODE	PINITOL (CAS# 10284-63-6); (M+NA)+	5065	Peak area	Case	Y	Exemestane	White	Baseline	N	Y
Reversed phase POSITIVE ION MODE	PINITOL (CAS# 10284-63-6); (M+NA)+	5258	Peak area	Case	Y	Exemestane	White	3 Month	N	Y
Reversed phase POSITIVE ION MODE	PINITOL (CAS# 10284-63-6); (M+NA)+	5291	Peak area	Control	N	Letrozole	White	Baseline	Y	N
Reversed phase POSITIVE ION MODE	PINITOL (CAS# 10284-63-6); (M+NA)+	5516	Peak area	Case	N	Exemestane	White	3 Month	Y	N
Reversed phase POSITIVE ION MODE	PINITOL (CAS# 10284-63-6); (M+NA)+	5519	Peak area	Case	Y	Exemestane	White	Baseline	N	Y
Reversed phase POSITIVE ION MODE	PINITOL (CAS# 10284-63-6); (M+NA)+	5519	Peak area	Case	Y	Exemestane	White	Baseline	Y	N
Reversed phase POSITIVE ION MODE	PINITOL (CAS# 10284-63-6); (M+NA)+	5521	Peak area	Control	N	Exemestane	Black	3 Month	Y	N
Reversed phase POSITIVE ION MODE	PINITOL (CAS# 10284-63-6); (M+NA)+	5675	Peak area	Case	N	Letrozole	White	Baseline	Y	N
Reversed phase POSITIVE ION MODE	PINITOL (CAS# 10284-63-6); (M+NA)+	5863	Peak area	Control	N	Letrozole	White	Baseline	N	N
Reversed phase POSITIVE ION MODE	PINITOL (CAS# 10284-63-6); (M+NA)+	5989	Peak area	Control	N	Letrozole	Black	3 Month	N	N
Reversed phase POSITIVE ION MODE	PINITOL (CAS# 10284-63-6); (M+NA)+	6127	Peak area	Case	Y	Exemestane	White	Baseline	N	Y
Reversed phase POSITIVE ION MODE	PINITOL (CAS# 10284-63-6); (M+NA)+	6736	Peak area	Case	N	Letrozole	White	Baseline	Y	N
Reversed phase POSITIVE ION MODE	PINITOL (CAS# 10284-63-6); (M+NA)+	6844	Peak area	Case	Y	Exemestane	White	3 Month	N	Y
Reversed phase POSITIVE ION MODE	PINITOL (CAS# 10284-63-6); (M+NA)+	7125	Peak area	Case	Y	Letrozole	White	Baseline	Y	Y
Reversed phase POSITIVE ION MODE	PINITOL (CAS# 10284-63-6); (M+NA)+	7892	Peak area	Case	N	Exemestane	White	Baseline	Y	N
Reversed phase POSITIVE ION MODE	PINITOL (CAS# 10284-63-6); (M+NA)+	8779	Peak area	Case	N	Exemestane	White	3 Month	N	N
Reversed phase POSITIVE ION MODE	PINITOL (CAS# 10284-63-6); (M+NA)+	8840	Peak area	Case	N	Exemestane	White	Baseline	N	N
Reversed phase POSITIVE ION MODE	PINITOL (CAS# 10284-63-6); (M+NA)+	8860	Peak area	Control	N	Letrozole	White	3 Month	Y	N
Reversed phase POSITIVE ION MODE	PINITOL (CAS# 10284-63-6); (M+NA)+	9714	Peak area	Case	N	Letrozole	White	3 Month	Y	N
Reversed phase POSITIVE ION MODE	PINITOL (CAS# 10284-63-6); (M+NA)+	9954	Peak area	Case	N	Letrozole	White	3 Month	Y	N
Reversed phase POSITIVE ION MODE	PINITOL (CAS# 10284-63-6); (M+NA)+	10424	Peak area	Case	N	Exemestane	Black	Baseline	N	N
Reversed phase POSITIVE ION MODE	PINITOL (CAS# 10284-63-6); (M+NA)+	11085	Peak area	Control	N	Letrozole	White	3 Month	N	N
Reversed phase POSITIVE ION MODE	PINITOL (CAS# 10284-63-6); (M+NA)+	11955	Peak area	Control	Y	Exemestane	White	3 Month	N	N
Reversed phase POSITIVE ION MODE	PINITOL (CAS# 10284-63-6); (M+NA)+	11975	Peak area	Case	N	Letrozole	White	Baseline	Y	N
Reversed phase POSITIVE ION MODE	PINITOL (CAS# 10284-63-6); (M+NA)+	12757	Peak area	Control	Y	Exemestane	White	Baseline	Y	Y
Reversed phase POSITIVE ION MODE	PINITOL (CAS# 10284-63-6); (M+NA)+	14075	Peak area	Control	N	Exemestane	White	3 Month	N	N
Reversed phase POSITIVE ION MODE	PINITOL (CAS# 10284-63-6); (M+NA)+	14297	Peak area	Case	N	Letrozole	White	3 Month	Y	N
Reversed phase POSITIVE ION MODE	PINITOL (CAS# 10284-63-6); (M+NA)+	14886	Peak area	Control	N	Exemestane	White	3 Month	N	N
Reversed phase POSITIVE ION MODE	PINITOL (CAS# 10284-63-6); (M+NA)+	15055	Peak area	Case	N	Exemestane	White	3 Month	N	N
Reversed phase POSITIVE ION MODE	PINITOL (CAS# 10284-63-6); (M+NA)+	19423	Peak area	Control	N	Exemestane	White	Baseline	N	N
Reversed phase POSITIVE ION MODE	PINITOL (CAS# 10284-63-6); (M+NA)+	20912	Peak area	Case	Y	Exemestane	White	3 Month	N	Y
Reversed phase POSITIVE ION MODE	PINITOL (CAS# 10284-63-6); (M+NA)+	23188	Peak area	Control	N	Exemestane	White	3 Month	N	N
Reversed phase POSITIVE ION MODE	PINITOL (CAS# 10284-63-6); (M+NA)+	33748	Peak area	Control	N	Exemestane	White	Baseline	N	N
Reversed phase POSITIVE ION MODE	PINITOL (CAS# 10284-63-6); (M+NA)+	42424	Peak area	Control	Y	Exemestane	White	3 Month	Y	Y
Reversed phase POSITIVE ION MODE	PINITOL (CAS# 10284-63-6); (M+NA)+	43178	Peak area	Case	Y	Letrozole	White	3 Month	Y	Y
Reversed phase POSITIVE ION MODE	PINITOL (CAS# 10284-63-6); (M+NA)+		Peak area	Case	N	Exemestane	Black	3 Month	N	N
Reversed phase POSITIVE ION MODE	PINITOL (CAS# 10284-63-6); (M+NA)+		Peak area	Case	N	Exemestane	White	3 Month	N	N
Reversed phase POSITIVE ION MODE	PINITOL (CAS# 10284-63-6); (M+NA)+		Peak area	Case	N	Exemestane	White	3 Month	Y	N
Reversed phase POSITIVE ION MODE	PINITOL (CAS# 10284-63-6); (M+NA)+		Peak area	Case	N	Exemestane	White	Baseline	N	N
Reversed phase POSITIVE ION MODE	PINITOL (CAS# 10284-63-6); (M+NA)+		Peak area	Case	N	Exemestane	White	Baseline	Y	N
Reversed phase POSITIVE ION MODE	PINITOL (CAS# 10284-63-6); (M+NA)+		Peak area	Case	N	Letrozole	Black	3 Month	N	N
Reversed phase POSITIVE ION MODE	PINITOL (CAS# 10284-63-6); (M+NA)+		Peak area	Case	N	Letrozole	White	3 Month	N	N
Reversed phase POSITIVE ION MODE	PINITOL (CAS# 10284-63-6); (M+NA)+		Peak area	Case	N	Letrozole	White	Baseline	N	N
Reversed phase POSITIVE ION MODE	PINITOL (CAS# 10284-63-6); (M+NA)+		Peak area	Case	Y	Exemestane	Black	3 Month	N	Y
Reversed phase POSITIVE ION MODE	PINITOL (CAS# 10284-63-6); (M+NA)+		Peak area	Case	Y	Exemestane	Black	Baseline	N	Y
Reversed phase POSITIVE ION MODE	PINITOL (CAS# 10284-63-6); (M+NA)+		Peak area	Case	Y	Exemestane	White	3 Month	Y	N
Reversed phase POSITIVE ION MODE	PINITOL (CAS# 10284-63-6); (M+NA)+		Peak area	Case	Y	Exemestane	White	3 Month	Y	Y
Reversed phase POSITIVE ION MODE	PINITOL (CAS# 10284-63-6); (M+NA)+		Peak area	Case	Y	Exemestane	White	Baseline	Y	N
Reversed phase POSITIVE ION MODE	PINITOL (CAS# 10284-63-6); (M+NA)+		Peak area	Case	Y	Exemestane	White	Baseline	Y	Y
Reversed phase POSITIVE ION MODE	PINITOL (CAS# 10284-63-6); (M+NA)+		Peak area	Case	Y	Letrozole	White	3 Month	Y	Y
Reversed phase POSITIVE ION MODE	PINITOL (CAS# 10284-63-6); (M+NA)+		Peak area	Case	Y	Letrozole	White	Baseline	Y	Y
Reversed phase POSITIVE ION MODE	PINITOL (CAS# 10284-63-6); (M+NA)+		Peak area	Control	N	Exemestane	Black	Baseline	Y	N
Reversed phase POSITIVE ION MODE	PINITOL (CAS# 10284-63-6); (M+NA)+		Peak area	Control	N	Exemestane	White	3 Month	N	N
Reversed phase POSITIVE ION MODE	PINITOL (CAS# 10284-63-6); (M+NA)+		Peak area	Control	N	Exemestane	White	3 Month	Y	N
Reversed phase POSITIVE ION MODE	PINITOL (CAS# 10284-63-6); (M+NA)+		Peak area	Control	N	Exemestane	White	Baseline	N	N
Reversed phase POSITIVE ION MODE	PINITOL (CAS# 10284-63-6); (M+NA)+		Peak area	Control	N	Letrozole	Black	Baseline	N	N
Reversed phase POSITIVE ION MODE	PINITOL (CAS# 10284-63-6); (M+NA)+		Peak area	Control	N	Letrozole	White	3 Month	Y	N
Reversed phase POSITIVE ION MODE	PINITOL (CAS# 10284-63-6); (M+NA)+		Peak area	Control	N	Letrozole	White	Baseline	N	N
Reversed phase POSITIVE ION MODE	PINITOL (CAS# 10284-63-6); (M+NA)+		Peak area	Control	N	Letrozole	White	Baseline	Y	N
Reversed phase POSITIVE ION MODE	PINITOL (CAS# 10284-63-6); (M+NA)+		Peak area	Control	Y	Exemestane	White	3 Month	Y	N
Reversed phase POSITIVE ION MODE	PINITOL (CAS# 10284-63-6); (M+NA)+		Peak area	Control	Y	Exemestane	White	Baseline	N	N
Reversed phase POSITIVE ION MODE	PINITOL (CAS# 10284-63-6); (M+NA)+		Peak area	Control	Y	Exemestane	White	Baseline	N	Y
Reversed phase POSITIVE ION MODE	PINITOL (CAS# 10284-63-6); (M+NA)+		Peak area	Control	Y	Exemestane	White	Baseline	Y	N
Reversed phase POSITIVE ION MODE	PINITOL (CAS# 10284-63-6); (M+NA)+		Peak area	Control	Y	Letrozole	White	3 Month	Y	N
Reversed phase POSITIVE ION MODE	PINITOL (CAS# 10284-63-6); (M+NA)+		Peak area	Control	Y	Letrozole	White	3 Month	Y	Y
Reversed phase POSITIVE ION MODE	PINITOL (CAS# 10284-63-6); (M+NA)+		Peak area	Control	Y	Letrozole	White	Baseline	Y	N
Reversed phase POSITIVE ION MODE	PINITOL (CAS# 10284-63-6); (M+NA)+		Peak area	Control	Y	Letrozole	White	Baseline	Y	Y