. Author manuscript; available in PMC: 2016 Jun 1.

Published in final edited form as: J Am Soc Mass Spectrom. 2015 Apr 17;26(6):915–923. doi: 10.1007/s13361-015-1133-y

Table 3.

Features extracted and putatively identified from negative ion mode analysis and the direction of loading in the PCA.

Negative Ion Mode
m/z	Adduct	Identification	Higher Loading Area
124	[M-H]⁻	Taurine	Oxidative
259	[M-H]⁻	Glucose monophosphate (GMP)	Oxidative
339	[M-H]⁻	Fructose bisphosphate (FBP)	Oxidative
361	[M+Na-2H]⁻	Fructose bisphosphate (FBP)	Oxidative
403	[M-H]⁻	Uridine diphosphate (UDP)	Oxidative
159	-	HP₂O₆⁻ fragment	Glycolytic
177	-	H₃P₂O₇⁻ fragment	Glycolytic
239	-	H₂P₃O₉⁻ fragment	Glycolytic
347	[M-H]⁻	Inosine monophosphate (IMP)	Glycolytic
426	[M-H]⁻	Adenosine diphosphate (ADP)	Glycolytic
506	[M-H]⁻	Adenosine triphosphate (ATP)	Glycolytic
558	[M-H]⁻	Adenosine diphosphate-ribose (ADP-ribose)	Glycolytic