Table 2.

¹H and ¹³C chemical shift assignments (δ, ppm) of metabolites found for F. salina

Entry	Metabolite	δ 1H	δ 31C	Group	Entry	Metabolite	δ1H	δ31C	Group
1	Glycyl-L-Leucine	0.88	20.76	CH3	16	Asparagine	2.87	36.32	βCH
		0.97	21.66	CH3			2.93	36.32	β′CH
		1.60	40.71	βCH2			4.03	51.25	αCH
		3.77	39.59	αCH
2	Saturated fatty acids	0.88		ωCH3	17	Proline betaine	3.12	46.37	N'CH3
		1.27		CH2-CH3
		2.05		(CH2)3-CH3
		2.25		(CH2)2-COO-
3	Leucine	0.93	22.61	δCH3	18	Choline moiety	3.21	51.35	NCH3
		1.60	40.50	βCH2			4.03	53.26	αCH2
		3.87	54.20	αCH
4	Propionate	1.06	10.11	βCH3	19	Betaines	3.25	55.86	N(CH3)3
		2.19	30.74	αCH2			3.89	68.64	NCH2
5	Threonine	1.34	21.93	γCH3	20	Glycine betaine/β-Alanine betaine	3.28	53.84	NCH3
		3.64	61.00	αCH			3.93	66.29	αCH2/βCH2
		4.23	66.60	βCH
6	Lactate	1.35	19.81	βCH3	21	Tryptophan	3.32	28.43	βCH
		4.19	69.12	αCH			3.48	38.37	β′CH
							4.09	53.18	αCH
							7.86		C4H
7	Alanine	1.49	16.80	βCH3	22	α-Trehalose	3.42	69.46	C4H
		3.78	55.00	αCH			3.58	71.20	C5H
							3.73	72.85	C3H
							3.75;3.85;3.86	60.12	C6H
							5.24	72.40	C2H
								94.65	C1H
8	Lysine	1.47	21.96	γCH2	23	Sucrose	3.43	72.40	G4H
		1.74	26.72	δCH2			3.65	62.00	F1H
		1.94	30.30	βCH2			3.85	63.20	F6H
		3.05	39.45	ɛCH2			3.98	74.43	F4H
		3.77	55.06	αCH			5.40	92.87	G1H
9	Acetate	1.92	23.59	βCH3	24	PC∗/GPC∗	3.58		βCH2
							3.62		βCH2
							3.73	68.63	βCH2
							4.18		αCH2
10	Glutamate	2.07	27.34	βCH	25	Shikimate	3.65	70.20	C5H
		2.35	32.92	γCH2			3.98	70.20	C6H
		3.77	54.77	αCH
11	Glutamine	2.13	27.16	βCH2	26	Fumarate	6.53	135.13	α,βC=C
		2.48	31.50	γCH2
		3.78	54.87	αCH
12	Proline	2.01	23.40	γCH2	27	Tyrosine	6.90	115.80	C3,5H ring
		2.08	29.10	β′CH			7.20	128.49	C2,6H ring
		2.36	29.10	βCH
		3.29	44.90	δCH
		3.45	44.90	δ′CH
		4.09	61.04	αCH
13	Ectoine	2.25	18.95	CH3	28	Phenylalanine	7.31	127.15	C4 ring
							7.37	130.30	C2,6 ring
							7.46	130.30	C3.5 ring
14	Succinate	2.42	34.20	α,βCH2	29	Formate	8.46		HCOO-
15	Malate	2.54	70.29	αCH
		2.71	42.16	βCH
		4.35	42.16	β′CH

Assignments were based on ¹H-TOCSY and ¹H-¹³C-HSQC-NMR experiments.

^∗Abbreviations: PC, phosphocholine; GPC, glycerophosphocholine.