Table 2.

Overview of the putative secondary metabolites detected in the ethyl acetate fraction of P. polymyxa SK1.

No.	Compound name	m/z measured	Library m/z	Molecular formula	Adduct	GNPS score	GNPS library ID	CAS no.
1	2-heptyl-3-hydroxy 4-quinolone	260.327	260	C16H21NO2	M + H	0.923445	CCMSLIB00000006838	108985-27-9
2	6-Oxocativic acid	320.115	321.242	C20H32O3	[M + H]+	0.776846	CCMSLIB00004717850	N/A
3	Anhydrobrazilic acid	236.599	235.06	C12H10O5	[M + H]+	0.801906	CCMSLIB00004716915	N/A
4	Cer(d18 : 1/0 : 0)	301.257	299.282	C18H38N1O2	M + H	0.80382	CCMSLIB00003119317	N/A
5	cyclo-(Leu-Leu)	226.649	227.174	C12H22N2O2	M + H	0.786044	CCMSLIB00000081186
6	Cyclo(Pro-Phe)	246.002	245.01	C14H16N2O2	M + H	0.721089	CCMSLIB00003134825	511126
7	1-(5-Methoxy-1H-indol-3-yl)-2-piperidin-1-ylethane-1,2-dione	286.183	287.14	C16H18N2O3	M + H	0.762453	CCMSLIB00000079850	N/A
8	5-hydroxy-2-[2-hydroxy-3-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]-7,8-dimethoxychromen-4-one	494.59	493.134	C23H24O12	M + H	0.700858	CCMSLIB00000846731	N/A
9	Octadecenoic acid	282.424	283.264	C18H34O2	M + H	0.786834	CCMSLIB00000075360
10	Pyochelin	325.953	325	C14H16N2O3S2	M + H	0.911325	CCMSLIB00000006841	69772-54-9
11	15-hydroxy-5Z,8Z,11Z,13E-eicosatetraenoic acid	317.725	319.229	C20H32O3	M-H	0.723226	CCMSLIB00003140178	73836870
12	(Z)-7-[(2R,3S)-3-[(2Z,5E)-Undeca-2,5-dienyl]oxiran-2-yl]hept-5-enoic acid	304.244	303.232	C20H32O3	M + H-H2O	0.767871	CCMSLIB00003136522	1.84E+08
13	Arginylasparagine	290.936	289.15	C10H20N6O4	M + H	0.755764	CCMSLIB00003136310	N/A
14	Cholic acid	372.736	373.26	C24H40O5	M + H − 2H2O	0.749273	CCMSLIB00003135877	81254
15	Sphinganine	303.453	302.303	C18H39NO2	M + H	0.798672	CCMSLIB00003137456	764227
16	Elaidic acid	283.702	283.264	C18H34O2	M + H	0.716292	CCMSLIB00003138006	112798
17	Gossypin	482.298	481.1	C21H20O13	M + H	0.796452	CCMSLIB00003137147	652788
18	His-Pro	235.256	235.12	C11H16N4O3	M + H − H2O	0.902967	CCMSLIB00003139663	N/A
19	Ile-Pro	211.99	211.144	C11H20N2O3	M + H − H2O	0.897641	CCMSLIB00003139619	N/A
20	Ile-Pro-Ile	342.436	342.239	C17H31N3O4	M + H	0.873283	CCMSLIB00003139778	90614485
21	L-Carnosine	225.163	227.11	C9H14N4O3	M + H	0.780065	CCMSLIB00003134824	305840
22	Leu-His	251.092	251.15	C12H20N4O3	M + H − H2O	0.926839	CCMSLIB00003138111	N/A
23	Leu-Pro	228.618	229.16	C11H20N2O3	M + H	0.930163	CCMSLIB00003139840	N/A
24	Maltulose	364.32	365.11	C12H24O12	M + Na	0.737391	CCMSLIB00003135808	17606723
25	Phe-Pro	263.036	263.14	C14H18N2O3	M + H	0.980382	CCMSLIB00003139670	N/A
26	Phe-Pro-Lys	196.143	196.119	C20H30N4O4	[M + 2H]	0.797602	CCMSLIB00003137655	N/A
27	Val-Phe	245.168	247.14	C14H20N2O3	M + H − H2O	0.920362	CCMSLIB00003135756	N/A
28	Tetrodotoxin	318.932	320.109	C11H17N3O8	M + H	0.779742	CCMSLIB00003740012	4368-28-9
29	Ursodiol	376.622	375.289	C24H40O4	M + H	0.723467	CCMSLIB00000005521	N/A