. 2021 Nov 27;19(12):674. doi: 10.3390/md19120674

Table 1.

Mass spectra data of the annotated features in Streptomyces sp. strain CLIVUS-G1225.

ID ^a	RT ^b	Molecular Formula	Adduct Type	m/z			Isomer Coincidence ^d	Identification Level ^e
ID ^a	RT ^b	Molecular Formula	Adduct Type	Experimental	Calculated	Δ (ppm) ^c	Isomer Coincidence ^d	Identification Level ^e
1	2.81	C₂₈H₃₈N₄O₆	[M+H]⁺	527.2838	527.2864	5.02	4	4
2	6.37	C₂₆H₂₉NO₅	[M+2ACN+H] ⁺	518.2643	518.2650	1.39	7	4
3	14.50	C₂₂H₂₆O₆	[M+H]⁺	387.1814	387.1802	2.96	13	4
4	15.22	C₁₇H₃₀N₂O₃	[M+2ACN+H] ⁺	393.2877	393.2860	4.22	1	3
5	15.69	C₂₆H₂₈O₆	[M+H]⁺	437.1947	437.1959	2.66	5	4
6	16.30	C₂₄H₃₀O₆	[M+H]⁺	415.2129	415.2115	3.35	9	4
7	20.00	C₃₇H₅₅NO₆	[M+2ACN+H]⁺	692.4602	692.4633	4.47	1	3
8	20.12	C₃₂H₅₄N₄O₇	[M+ACN+H] ⁺	648.4338	648.4331	1.21	6	4
9	21.07	C₃₅H₆₃NO₃	[M+H]⁺	546.4901	546.4881	3.69	3	4
10	21.79	C₄₂H₇₅N₇O₁₇	[M+ACN+H] ⁺	991.5576	991.5557	1.89	1	3
11	22.70	C₂₁H₃₁NO₂	[M+2ACN+H] ⁺	412.2968	412.2959	2.22	1	3
12	22.85	C₂₇H₃₇N₇O₇	[M+2ACN+H] ⁺	654.3348	654.3358	1.48	1	3
13	22.93	C₃₁H₄₂N₂O₇S	[M+2ACN+H] ⁺	669.3346	669.3317	4.32	1	3
14	23.02	C₄₂H₆₃O₄P	[M+H]⁺	663.4566	663.4537	4.38	1	3
15	23.34	C₃₄H₆₀N₄O₁₀	[M+H]⁺	685.4385	685.4382	0.48	1	3
16	23.44	C₂₂H₃₈O₂	[M+ACN+H] ⁺	376.3202	376.321	2.19	3	4
17	25.29	C₃₂H₂₆O₁₀	[M+ACN+H] ⁺	612.1849	612.1864	2.49	8	4

^a The annotated features were identified with consecutive Arabic numerals from 1 to 17 according to the elution order; ^b Retention time (min), ^c Mass measurement accuracy (ppm), ^d The number of isomers found in the databases; ^e Identification confidence levels according to Schymanski et al. [48]. Two-way profile (i.e., HPLC chromatogram × mass spectra) of the G1225 extract is presented in Figure S3.