Table S1.

Putative identity of compounds detected in the medium of S2LS3 culture. Metabolites were identified by matching their spectra to NIST library and the Golm metabolomics database. Retention time (RT), retention index (RI) calculated with alkanes; the match values from Nist, and the intensities (peak area) of a compound-specific molecular fragment (specific ion, m/z) at different time points are shown. Values for peak area are given Not identified values were signed with n.i. and intensities under the detection limit signed with n.d.

Identity	Specific ion (m/z)	RT [min]	RI	RI Golm DB	Nist Matc h	Rev. Nist Match	Peak area 1d ± STD	Peak area 3d ± STD	Peak area 5d ± STD	Peak area 7d ± STD
Lactic acid 2TMS	190,99	6,58	1010	1051	883	884	492±124	606±218	726±188	667±66
Benzoic acid TMS	105,03	11,03	1244	1253	789	851	n.d	12±2	11±2	10±1
Galactose methoxyamine 5TMS	117,07	22,34	1714	1721	723	744	7±3	48±11	124±22	131±14
Putrescine 4TMS	174,11	22,68	1729	1745	894	895	20±9	9±2	369±80	492±115
Unknown sugar 1	217,07	23,31	1758	n.i.	n.i.	n.i.	246±77	272±73	191±38	93±10
Fructose methoxyamine 5TMS	364,00	25,62	1870	1865	873	874	1200±175	1440±249	1306±210	410±84
Fructose methoxyamine 5TMS 2	364,18	25,82	1880	1774	878	880	959±104	1142±200	286±30	360±70
Glucose methoxyamine 5TMS	364,18	26,07	1893	1888	908	923	455±65	286±30	151±9	19±3
Glucose methoxyamine 5TMS 2	364,18	26,39	1908	1910	828	918	11±1	10±2	2±0.5	n.d.
Unknown sugar 2	205,10	26,57	1917	n.i.	n.i.	n.i.	137±46	120±33	41±11	25±3
Unknown sugar 3	147,10	26,72	1924	n.i.	n.i.	n.i.	n.d	n.d	n.d	14±3
Inositol 6TMS	317,97	29,69	2082	2091	914	944	1380±260	4±1	n.d.	n.d.
Sucrose methoxyamine 8TMS	361,15	38,66	2636	2640	760	767	saturated	saturated	saturated	saturated