Table 3.

Identification of metabolites from the aqueous fraction of BM using CE‐MS

	Metabolite	Metabolite class	Formula	[M+H]+ (Da)	Experimental mass (Da)	Mass error (ppm)	Migration time (min)
1	Creatinine	Organic Acid	C4H7N3O	114.0662	114.0663	0.9	2.8
2	Lysine	Amino acid	C6H14N2O2	147.1128	147.1127	–0.7	3
3	Nicotinamide	Vitamin	C6H6N2O	123.0553	123.0552	–0.8	3.1
4	Arginine	Amino acid	C6H14N4O2	175.119	175.119	0.0	3.1
5	Carnitine	Amino acid derivative	C7H15NO3	162.1125	162.1125	0.0	3.4
6	Acetyl‐l‐carnitine	Amino acid derivative	C9H17NO4	204.123	204.1232	1.0	3.7
7	Cytosine	Nucleotide	C4H5N3O	112.0505	112.0504	–0.9	3.7
8	Cytidine	Nucleoside	C9H13N3O5	244.0928	244.0929	0.4	3.7
9	Creatine	Organic Acid	C4H9N3O2	132.0768	132.0769	0.8	4.2
10	Alanine	Amino acid	C3H7NO2	90.055	90.0551	8.7	4.5
11	5‐Aminovaleric acid/Valine	Amino acid	C5H11NO2	118.0863	118.0864	0.8	4.9
12	n‐Methyl‐l‐Valine/Leucine/Isoleucine	Amino acid	C6H13NO2	132.1019	132.102	0.8	5
13	Serine	Amino acid	C3H7NO3	106.0499	106.0499	0.0	5.2
14	Tryptophan	Amino acid	C11H12N2O2	205.0972	205.0971	–0.5	5.2
15	Threonine	Amino acid	C4H9NO3	120.0655	120.0654	–0.8	5.3
16	Glycylglycine	Dipeptide	C4H8N2O3	133.0608	133.0609	0.8	5.2
17	Methionine	Amino acid	C5H11NO2S	150.0583	150.0582	–0.7	5.3
18	Citrulline	Amino acid	C6H13N3O3	176.103	176.1027	–1.7	5.4
19	Phenylalanine	Amino acid	C9H11NO2	166.0863	166.0861	–1.2	5.4
20	Glutamic acid	Amino acid	C5H9NO4	148.0604	148.0603	–0.7	5.5
21	Tyrosine	Amino acid	C9H11NO3	182.0812	182.0811	–0.5	5.6
22	Cystine	Amino acid	C6H12N2O4S2	241.0312	241.0311	–0.4	5.8
23	Aspartic acid	Amino acid	C4H7NO4	134.0448	134.0445	–2.2	6.1