. Author manuscript; available in PMC: 2020 Aug 17.

Published in final edited form as: J Chromatogr A. 2019 Apr 1;1599:66–74. doi: 10.1016/j.chroma.2019.03.066

Table 1.

Target analyte mass spectrometry parameters

Method	Analyte	Formula	Precurser ion (m/z)		Product ions (m/z)	Fragmentor (V)	Collision Energy (V)	t_R(mins)
HILIC	ANA	C₁₀H₁₅NO	166	[M+H]⁺	91.1, 131	103	29, 17	1.5
	ANA-13C (IS)	C₄¹³C₆H₁₅NO	170	[M+H]⁺	93.1, 135
	CLD	C₁₅H₂₁N₅O₇S	416	[M+H]⁺	194.1, 176	152	37, 41	4.0
	CLD-15N (IS)	C₁₅H₂₁¹⁵N₅O₇S	421	[M+H]⁺	197.1, 176
	SAX	C₁₀Hi₇N₇O₄	300	[M+H]⁺	204.1, 138	152	25, 33	5.2
	DPA-d5 (IS)	C₉D₅H₆NO₂	171	[M+H]⁺	125	103	17	2.0
RPLC	M-LA	C₄₆H₆₇N₇O_l2	911	[M+H]⁺	776.4, 135	200	21, 69	5.3
	M-LA-15N (IS)	C₄₆H₆₇¹⁵N₇O₁₂	917		783.4, 135
	M-LR	C₄₉H₇₄N₁₀O₁₂	498	[M+2H]²⁺	135.1, 103	103	9, 69	3.7
	M-LR-15N (IS)	C₄₉H₇₄¹⁵N_l0O₁₂	503
	M-LY	C₅₂H₇₁N₇O₁₃	502	[M+2H]²⁺	135.1, 103	103	13, 69	5.7
	M-RR	C₄₉H₇₅N₁₃O₁₂	520	[M+2H]²⁺	135.1, 103	152	33, 69	2.5
	M-RR-15N (IS)	C₄₉H₇₅¹⁵N₁₃O₁₂	526
	M-YR	C₅2H₇₂N₁₀O_l3	523	[M+2H]²⁺	135.1, 103	103	13, 69	3.4
	M-YR-15N (IS)	C₅₂H₇₂¹⁵N₁₀O₁₃	528
	NOD	Q₄₁H₆₀NO₁₀	825	[M+H]⁺	135.1, 103	201	69, 137	2.4