Metabolomics Workbench : NIH Data Repository

Analysis	Metabolite Name	Measured Value	Units	subject type
Reversed phase NEGATIVE ION MODE	NICOTINATE (CAS# 59-67-6); (M-H)-	8315	Peak area	Severe disease
Reversed phase NEGATIVE ION MODE	NICOTINATE (CAS# 59-67-6); (M-H)-	8465	Peak area	Mild disease
Reversed phase NEGATIVE ION MODE	NICOTINATE (CAS# 59-67-6); (M-H)-	14859	Peak area	Healthy control
Reversed phase NEGATIVE ION MODE	NICOTINATE (CAS# 59-67-6); (M-H)-	15094	Peak area	Severe disease
Reversed phase NEGATIVE ION MODE	NICOTINATE (CAS# 59-67-6); (M-H)-	22838	Peak area	Healthy control
Reversed phase NEGATIVE ION MODE	NICOTINATE (CAS# 59-67-6); (M-H)-	27298	Peak area	Mild disease
Reversed phase NEGATIVE ION MODE	NICOTINATE (CAS# 59-67-6); (M-H)-	30976	Peak area	Mild disease
Reversed phase NEGATIVE ION MODE	NICOTINATE (CAS# 59-67-6); (M-H)-	34307	Peak area	Mild disease
Reversed phase NEGATIVE ION MODE	NICOTINATE (CAS# 59-67-6); (M-H)-	34675	Peak area	Severe disease
Reversed phase NEGATIVE ION MODE	NICOTINATE (CAS# 59-67-6); (M-H)-	39209	Peak area	Severe disease
Reversed phase NEGATIVE ION MODE	NICOTINATE (CAS# 59-67-6); (M-H)-	42856	Peak area	Mild disease
Reversed phase NEGATIVE ION MODE	NICOTINATE (CAS# 59-67-6); (M-H)-	46454	Peak area	Mild disease
Reversed phase NEGATIVE ION MODE	NICOTINATE (CAS# 59-67-6); (M-H)-		Peak area	Healthy control
Reversed phase NEGATIVE ION MODE	NICOTINATE (CAS# 59-67-6); (M-H)-		Peak area	Severe disease
Reversed phase POSITIVE ION MODE	NICOTINATE (CAS# 59-67-6); (M+H)+	287284	Peak area	Healthy control
Reversed phase POSITIVE ION MODE	NICOTINATE (CAS# 59-67-6); (M+H)+	337898	Peak area	Healthy control
Reversed phase POSITIVE ION MODE	NICOTINATE (CAS# 59-67-6); (M+H)+	420588	Peak area	Severe disease
Reversed phase POSITIVE ION MODE	NICOTINATE (CAS# 59-67-6); (M+H)+	473379	Peak area	Healthy control
Reversed phase POSITIVE ION MODE	NICOTINATE (CAS# 59-67-6); (M+H)+	484956	Peak area	Mild disease
Reversed phase POSITIVE ION MODE	NICOTINATE (CAS# 59-67-6); (M+H)+	498611	Peak area	Severe disease
Reversed phase POSITIVE ION MODE	NICOTINATE (CAS# 59-67-6); (M+H)+	515796	Peak area	Healthy control
Reversed phase POSITIVE ION MODE	NICOTINATE (CAS# 59-67-6); (M+H)+	532405	Peak area	Mild disease
Reversed phase POSITIVE ION MODE	NICOTINATE (CAS# 59-67-6); (M+H)+	537842	Peak area	Mild disease
Reversed phase POSITIVE ION MODE	NICOTINATE (CAS# 59-67-6); (M+H)+	553720	Peak area	Severe disease
Reversed phase POSITIVE ION MODE	NICOTINATE (CAS# 59-67-6); (M+H)+	557345	Peak area	Severe disease
Reversed phase POSITIVE ION MODE	NICOTINATE (CAS# 59-67-6); (M+H)+	588770	Peak area	Severe disease
Reversed phase POSITIVE ION MODE	NICOTINATE (CAS# 59-67-6); (M+H)+	607746	Peak area	Mild disease
Reversed phase POSITIVE ION MODE	NICOTINATE (CAS# 59-67-6); (M+H)+	636248	Peak area	Mild disease
Reversed phase POSITIVE ION MODE	NICOTINATE (CAS# 59-67-6); (M+H)+	656073	Peak area	Healthy control
Reversed phase POSITIVE ION MODE	NICOTINATE (CAS# 59-67-6); (M+H)+	665188	Peak area	Severe disease
Reversed phase POSITIVE ION MODE	NICOTINATE (CAS# 59-67-6); (M+H)+	734022	Peak area	Mild disease
Reversed phase POSITIVE ION MODE	NICOTINATE (CAS# 59-67-6); (M+H)+		Peak area	Healthy control