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. 2011 Oct 24;6(10):e26721. doi: 10.1371/journal.pone.0026721

Table 1. Assignment of molecules at m/z 125.99, 153.00, 164.00, and 207.04 (* indicates the molecule identified by MS/MS analysis.).

Measured m/z	Compound ID	CAS No.	Compound name	Chemical formula	Molecular weight	Adduct	Culculated adduct m/z
125.99	METLIN58164	1948-56-7	2-Aminoacrylic acid	C₃H₅NO₂	87.03	[M+K]⁺	126.00
153.00	HMDB00076	504-07-4	Dihydrouracil	C₄H₆N₂O₂	114.04	[M+Na]⁺	153.01
164.00	HMDB00224	1071-23-4	O-Phosphoethanolamine	C₂H₈NO₄P	141.02	[M+Na]⁺	164.01
207.04	HMDB01866	775-01-9	3,4-Dihydroxymandelic acid*	C₈H₈O₅	206.33	[M+Na]⁺	207.33