International Journal of Analytical Chemistry

Research Article

Comparative Analysis of Free Amino Acids and Nucleosides in Different Varieties of Mume Fructus Based on Simultaneous Determination and Multivariate Statistical Analyses

Table 2

Optimised mass spectrometry parameters for determination of 30 components.


Name	CAS no.	Formula	t_R (min)	[M + H]⁺(m/z)	MRM (precursor ⟶ product)	DP (V)	CE (eV)

L-aspartic acid	56-84-8	C₄H₇NO₄	1.70	134.05	134.05/87.96	59	10
L-asparagine	70-47-3	C₄H₈N₂O₃	6.22	132.80	132.80/115.70	46	13
L-serine	56-45-1	C₃H₇NO₃	6.12	106.05	106.05/59.99^a	67	8
Glycine	56-40-6	C₂H₅NO₂	5.34	76.04	76.04/30.00	73	6
L-alanine	56-41-7	C₃H₇NO₂	4.39	90.06	90.06/44.02	79	10
L-glutamic acid	56-86-0	C₅H₉NO₄	6.53	147.08	147.08/83.92	83	14
L-valine	72-18-4	C₅H₁₁NO₂	3.38	118.09	118.09/72.06	54	10
L-methionine	63-68-3	C₅H₁₁NO₂S	3.41	150.06	150.06/104.03	91	10
L-isoleucine	73-32-5	C₆H₁₃NO₂	5.81	132.00	132.00/86.00	66	15
L-histidine	71-00-1	C₆H₉N₃O₂	6.52	156.08	156.08/110.03	95	16
L-arginine	74-79-3	C₆H₁₄N₄O₂	6.46	175.12	175.12/70.02	88	18
L-threonine	72-19-5	C₄H₉NO₃	5.70	120.30	120.30/76.80	54	11
L-leucine	61-90-5	C₆H₁₃NO₂	2.81	132.10	132.10/86.05	98	10
L-phenylalanine	63-91-2	C₉H₁₁NO₂	2.84	166.10	166.10/120.05	56	14
L-cystine	56-89-3	C₆H₁₂N₂O₄S₂	7.02	240.80	240.80/151.90	71	18
L-tyrosine	60-18-4	C₉H₁₁NO₃	3.56	182.16	182.16/136.08	46	17
L-hydroxyproline	51-35-4	C₅H₉NO₃	2.89	133.80	133.80/71.80	52	25
L-proline	147-85-3	C₅H₉NO₂	4.13	116.07	116.07/70.02	68	10
L-tryptophan	73-22-3	C₁₁H₁₂N₂O₂	2.73	205.00	205.00/188.00	202	15
γ-Aminobutyric acid	56-12-2	C₄H₉NO₂	3.14	103.70	103.70/86.90	32	14
L-lysine hydrochloride	10098-89-2	C₆H₁₅CIN₂O₂	6.52	147.00	147.00/84.00	52	24
Uracil	66-22-8	C₄H₄N₂O₂	2.44	113.04	113.04/70.00	111	21
Adenine	73-24-5	C₅H₅N₅	1.93	136.06	136.06/136.06	51	24
Cytidine	65-46-3	C₉H₁₃N₃O₅	4.77	244.09	244.09/112.00	61	10
Inosine	58-63-9	C₁₀H₁₂N₄O₅	3.66	269.00	269.00/137.05	46	15
Vernine	118-00-3	C₁₀H₁₃N₅O₅	4.56	284.30	284.30/152.00	62	15
Thymidine	50-89-5	C₁₀H₁₄N2O₅	2.39	243.10	243.10/127.07	61	13
Adenosine	58-61-7	C₁₀H₁₃N₅O₄	3.47	268.10	268.10/136.07	86	23
Uridine	58-96-8	C₉H₁₂N₂O₆	4.72	244.90	244.90/113.00	103	13
Hypoxanthine	68-94-0	C₅H₄N₄O	1.15	137.05	137.05/137.05	51	24