Table 2.

Data acquisition parameters and main figures of merit of the quantification method.

Analyte	IS	m/z Quantification	m/z Confirmation	RT ± s [min]	RI	Calibration Range [µM]	y = ax2 + bx + c			R2 ± s	SER	LLOD in Plasma [µM]	LLOQ in Plasma [µM]
							a ± s	b ± s	c ± s
Pyruvate	Pyr-13C	174	158	6.00 ± 0.02	1056	0.8–100	—	1.02 ± 0.04	0.0111 ± 0.0016	0.9987 ± 0.0009	3	0.11	0.3
Pyr-13C	—	175	—	6.00 ± 0.02	—	—	—	—	—	—	—	—	—
Lactate	—	191	117	6.20 ± 0.02	1068	3.9–1000	—	12000 ± 2000	90000 ± 20000	0.994 ± 0.007	0.3	0.5	1.6
Acetoacetate	DMBA	188	89	7.260 ± 0.003	1141	3.1–100	0.011 ± 0.003	0.018 ± 0.008	−0.0007 ± 0.0005	0.9961 ± 0.0012	0.003	0.4	1.3
β-hydroxybutyrate	DMBA	191	117	7.640 ± 0.008	1167	0.4–100	—	0.4 ± 0.3	−0.0001 ± 0.0008	0.9983 ± 0.0009	0.7	0.06	0.2
Succinate	DMBA	247	147	9.770 ± 0.002	1319	0.1–25	0.17 ± 0.06	0.308 ± 0.014	0.00090 ± 0.00003	0.9965 ± 0.0017	0.08	0.014	0.04
Fumarate	DMBA	245	147	10.200 ± 0.002	1351	0.1–25	—	1.4 ± 0.7	0.0002 ± 0.0002	0.994 ± 0.005	0.00007	0.014	0.04
Malate	DMBA	147	233	12.130 ± 0.002	1501	0.1–25	—	1.18 ± 0.02	0 ± 0	0.994 ± 0.006	0.02	0.014	0.04
α-ketoglutarate	DMBA	198	204	13.20 ± 0.05	1588	0.1–25	0.1536 ± 0.0003	0.19 ± 0.04	0 ± 0	0.996 ± 0.004	0.015	0.014	0.04
DMBA	—	239	—	14.700 ± 0.004	—	—	—	—	—	—	—	—	—

Note: RT, Standard Error of Residuals (SER) measured on Day 1; LLOQs were established as the concentration of analyte that can be measured with an imprecision of less than 20% and a deviation from target of less than 20% and taking into account the preconcentration factor of 2.4 achieved during sample processing. The LLOQ is defined as three times the LOD. RI stands for Retention Index calculated as $RI=100\times n+100\times (t_c-t_n)/(t_{n+1}-t_n)$, where $c$ stands for compound of interest, $n$ stands for alkane with $n$ carbon atoms eluting before compound $c$ and $n+1$ stands for alkane with $n+1$carbon atoms eluting after compound c. $t_c$,$t_n$ and $t_{n+1}$ represent their respective retention times.