TABLE 1.

Summary of significant spectral features found in all three studies across NMR and LC-MS. The total number of significant spectral features (p < 0.05) for a given strain and each analytical platform are listed. SIRIUS (Dührkop et al., 2019) was used to determine elemental formulas for all MS/MS features.

Study Group	Strain	Number of significant spectral features
		NMR		LC-MS
		Non-polar	Polar	RP+	RP-	HILIC
Central metabolism mutans (CM)	AUM2073	11	29	175	8	3
	KJ550	9	14	110	17	10
	RB2347	23	22	421	38	14
	VC1265	25	49	671	79	42
	VC2524	19	13	261	24	4
	Total CM sig. features by platform	87	127	1638	166	73
UGT mutants (UGT)	RB2011	2	6	237	21	16
	RB2055	8	20	161	34	10
	RB2550	11	23	200	18	5
	RB2607	18	17	539	69	9
	VC2512	33	72	736	101	34
	Total UGT sig. features by platform	72	138	1873	243	74
Natural Strains (NS)	N2	1	3	22	6	7
	DL238	18	15	631	52	9
	CX11314	13	16	254	44	7
	CB4856	23	29	869	113	17
	Total NS sig. features by platform	55	63	1776	215	50
	Total sig. feautres within platform	146	228	2541	281	115
Total number of sig. features with elemental formulas				709	152	91