Use of UPLC-ESI-MS/MS to quantitate free amino acid concentrations in micro-samples of mammalian milk

Ferchaud Roucher, Véronique; Desnots, Emmanuelle; Naël, Charlotte; Agnoux, Aurore Martin; Alexandre-Gouabau, Marie-Cécile; Darmaun, Dominique; Boquien, Clair-Yves

doi:10.1186/2193-1801-2-622

SpringerPlus

Table 2 ESI-MS/MS conditions for quantitation of FAA in milk

From: Use of UPLC-ESI-MS/MS to quantitate free amino acid concentrations in micro-samples of mammalian milk

Compound number	Amino acid/ labeled amino acid	MRM transition (m/z)	Cone voltage (V)	Collision energy (eV)	Rt (min)	Function	Window time (min)*	Internal standard
1	L-Histidine	326.21 >171	35	19	1.33	1	1.1 – 2.0	2
2	L-[2-¹⁵ N₃]Histidine	329.21 > 171	35	19	1.33	1	1.1 – 2.0
3	Taurine	296.11 > 171	32	24	1.76	1	1.1 – 2.0	4
4	[¹⁵ N]Taurine	297.11 > 171	32	24	1.76	1	1.1 – 2.0
5	L-Serine	276.11 > 171	27	19	2.12	2	1.9 – 3.4	6
6	L-[2-¹⁵ N]Serine	277.11 > 171	27	19	2.12	2	1.9 – 3.4
7	L-Glutamine	317.14 > 171	35	20	2.26	2	1.9 – 3.4	8
8	L-[2-¹⁵ N]Glutamine	318.14 > 171	35	20	2.26	2	1.9 – 3.4
9	L-Arginine	345.21 > 171	35	19	2.34	2	1.9 – 3.4	10
10	L-[1-¹³C]Arginine	347.21 > 171	35	19	2.34	2	1.9 – 3.4
11	Glycine	246.16 > 171	33	20	2.47	2	1.9– 3.4	12
12	L-[1-¹³C]Glycine	247.16 > 171	33	20	2.47	2	1.9 – 3.4
13	L-Aspartic acid	304.11 > 171	32	24	2.78	2	1.9 – 3.4	14
14	L-[2-¹⁵ N]Aspartic Acid	305.11 > 171	32	24	2.78	2	1.9 – 3.4
15	L-Glutamic acid	318.11 > 171	32	24	3.62	3	3.4 – 6.0	16
16	L-[2-¹⁵ N]Glutamic Acid	319.11 > 171	32	24	3.62	3	3.4 – 6.0
17	L-Citrulline	346.21 > 171	32	24	3.72	3	3.4 – 6.0	18
18	L-[2-¹⁵ N]Citrulline	347.21 > 171	32	24	3.72	3	3.4 – 6.0
19	L-Threonine	291.11 > 171	31	22	4.30	3	3.4 – 6.0	20
20	L-[2-¹⁵ N]Thréonine	291.11 > 171	31	22	4.30	3	3.4 – 6.0
21	L-Alanine	260.00 > 171	32	25	4.76	3	3.4 – 6.0	22
22	L-[1-¹³C]Alanine	261.00 > 171	32	25	4.76	3	3.4 – 6.0
23	L-Proline	286.16 > 171	29	21	5.37	3	3.4 – 6.0	22
24	L-Cystine	291.18 > 171	32	24	6.50	4	6.2 – 7.5	31
25	L-Tyrosine	352.21 > 171	32	24	6.61	4	6.2 – 7.5	26
26	L-[2-¹⁵ N]Tyrosine	353.21 > 171	32	24	6.61	4	6.2 – 7.5
27	L-Lysine	487.11 > 171	32	24	6.63	4	6.2 – 7.5	28
28	L-[¹³C₆]Lysine	493.23 > 171	32	24	6.63	4	6.2 – 7.5
29	L-Methionine	320.21 > 171	32	24	6.80	4	6.2 – 7.5	31
30	L-Valine	288.23 > 171	35	24	6.98	4	6.2 – 7.5	31
31	L-[1-¹³C]Valine	289.23 > 171	35	24	6.98	4	6.2 – 7.5
32	L-Isoleucine	302.20 > 171	39	35	7.85	5	7.5 – 8.5	34
33	L-Leucine	302.20 > 171	39	35	7.94	5	7.5 – 8.5	34
34	L-[2-¹⁵ N]Leucine	303.20 > 171	39	35	7.94	5	7.5 – 8.5
35	L-[2H5]Phenylalanine	341.21 > 171	32	24	8.01	5	7.5 – 8.5
36	L-Phenylalanine	336.21 > 171	32	24	8.04	5	7.5 – 8.5	35
37	L-[²H₅]Tryptophan	380.23 > 171	32	24	8.10	5	7.5 – 8.5
38	L-Tryptophan	375.23 > 171	32	24	8.13	5	7.5 – 8.5	37

*Note: Before 1.10 min and after 8.50 min the flow state was in waste.

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