Table 2.

Potential biomarkers for distinguishing P and N groups by analysis of data from IEESI-MS

Potential biomarkers	Quasi-molecularion	m/z detected	m/z exact	Chemical formula	Fragment	Mass error (ppm)
6-Dimethylaminopurine	[M$+$H]$+$	164.09184	164.09307	C7H9N5	148,136,121	7.5
L-Fucose	[M$+$H]$+$	165.07575	165.07462	C6H12O5	147,137,123	6.8
L-Histidine	[M$+$H]$+$	156.07539	156.07675	C6H9N3O2	138,110	8.7
L-tryptophan	[M$+$H]$+$	205.09785	205.09715	C11H12N2O2	187,145	3.4
Phenylpyruvic acid	[M$+$H]$+$	165.05629	165.05462	C9H8O3	137,105	10
L-Phenylalanine	[M$+$H]$+$	166.08597	166.08626	C9H11NO2	148,119	1.7
L-Leucine	[M$+$H]$+$	132.10294	132.10191	C6H13NO2	86	7.8
Lyso PC (16:0)	[M$+$H]$+$	496.33765	496.33977	C24H50NO7P	478,184	4.3
Lyso PC (18:3)	[M$+$H]$+$	518.32452	518.32412	C26H48NO7P	459,173,146	0.8
Lyso PC (17:0)	[M$+$H]$+$	510.33863	510.35542	C25H52NO7P	510,492,451,327,258,184	32
2-Piperidinone	[M$+$H]$+$	100.075691	100.07582	C5H9NO	100,69,58	1.3