Table 3.

Compounds contained in the rice spirit distillery wastewater identified with four different confidence levels by HR-MS (the top 100 most abundant compounds based on peak area).

No.	Name	Formula	Molecular Weight	RT [min]	Area	Identification confidence levels
1	Lactic acid	C3 H6 O3	90.03169	1.58	3E+10	1
2	Phenyllactic acid	C9H10O3	166.063	8.53	4E+09	1
3	Succinic acid	C4 H6 O4	118.0266	2.85	1E+09	1
4	Citraconic acid	C5 H6 O4	84.01995	1.85	1E+09	2
5	L-Norleucine	C6 H13 N O2	131.0946	2.98	3E+08	3
6	Cinnamic acid	C9H8O2	148.0524	8.53	2E+08	1
7	Gluconic acid	C6 H12 O7	150.052	1.03	2E+08	2
8	L-Phenylalanine	C9 H11 N O2	165.0789	5.39	2E+08	1
9	Acetophenone	C8 H8 O	120.0575	4.26	9E+07	1
10	6-Hydroxycaproic acid	C6 H12 O3	86.07209	8.16	7E+07	2
11	D(+)-Phenyllactic acid	C9 H10 O3	120.0568	8.56	6E+07	2
12	Υ-Aminobutyric acid (GABA)	C4 H9 N O2	103.0635	1.11	6E+07	2
13	L-Leucine	C6 H13 N O2	131.0946	2.78	6E+07	3
14	2-Hydroxycinnamic acid	C9 H8 O3	164.0473	4.24	5E+07	4
15	Adenine	C5 H5 N5	135.0544	2.26	5E+07	2
16	DL-4-Hydroxyphenyllactic acid	C9 H10 O4	182.0574	7.07	4E+07	4
17	trans-3-Indoleacrylic acid	C11 H9 N O2	187.0631	7.22	4E+07	2
18	D-(+)-Proline	C5 H9 N O2	115.0634	1.16	3E+07	1
19	D-(+)-Pyroglutamic Acid	C5 H7 N O3	129.0426	2.34	3E+07	2
20	Guanine	C5 H5 N5 O	151.0493	2.28	3E+07	2
21	Methylmalonic acid	C4 H6 O4	118.0255	2.89	3E+07	2
22	2-Isopropylmalic acid	C7 H12 O5	116.0467	7.42	2E+07	4
23	D-α-Hydroxyglutaric acid	C5 H8 O5	148.0363	1.99	2E+07	4
24	Cyclo(leucylprolyl)	C11 H18 N2 O2	210.1365	8.42	1E+07	2
25	Dimethyl succinate	C6 H10 O4	146.0579	7.42	1E+07	4
26	Piceatannol	C14 H12 O4	244.0706	10.94	1E+07	2
27	Glycyl-L-leucine	C8 H16 N2 O3	188.1159	6.11	1E+07	2
28	L-(+)-Arginine	C6 H14 N4 O2	174.1114	1.04	1E+07	4
29	Spermidine	C7 H19 N3	128.1311	0.92	1E+07	4
30	L-(+)-Citrulline	C6 H13 N3 O3	158.0688	1.10	1E+07	2
31	Cyclo(phenylalanyl-prolyl)	C14 H16 N2 O2	244.1209	8.90	1E+07	2
32	Prolylleucine	C11 H20 N2 O3	456.2942	6.59	9E+06	2
33	Cytosine	C4 H5 N3 O	111.0433	1.25	9E+06	1
34	DL-Lysine	C6 H14 N2 O2	146.1053	1.76	9E+06	2
35	DL-Arginine	C6 H14 N4 O2	174.1114	1.57	9E+06	2
36	(15Z)-9,12,13-Trihydroxy-15-octadecenoic acid	C18 H34 O5	330.241	11.56	8E+06	2
37	2-Hydroxyvaleric acid	C5 H10 O3	72.0564	6.08	8E+06	4
38	Imidazolelactic acid	C6 H8 N2 O3	156.0531	1.33	7E+06	2
39	Valylproline	C10 H18 N2 O3	214.1315	4.02	6E+06	4
40	Hypoxanthine	C5 H4 N4 O	136.0382	3.03	6E+06	2
41	Ethyl oleate	C20 H38 O2	310.2865	14.57	6E+06	2
42	Indole-3-lactic acid	C11 H11 N O3	205.0737	8.81	6E+06	2
43	Histamine	C5 H9 N3	111.0797	0.98	6E+06	2
44	DL-Homoserine	C4 H9 N O3	87.032	1.05	5E+06	4
45	3-Methylcrotonylglycine	C7 H11 N O3	157.0736	5.70	5E+06	4
46	L(-)-Pipecolinic acid	C6 H11 N O2	129.0788	1.59	4E+06	2
47	D-(-)-Mannitol	C6 H14 O6	182.0783	1.04	4E+06	2
48	Caffeine	C8 H10 N4 O2	194.0802	7.89	4E+06	1
49	trans-Cinnamic acid	C9 H8 O2	148.0515	8.55	4E+06	4
50	L-Histidine	C6 H9 N3 O2	155.0691	1.00	4E+06	2
51	Trigonelline	C7 H7 N O2	137.0475	1.20	4E+06	2
52	L(+)-Ornithine	C5 H12 N2 O2	132.0897	0.98	4E+06	4
53	Daidzein	C15 H10 O4	254.0577	10.32	4E+06	2
54	D(+)-Phenyllactic acid	C9 H10 O3	166.0622	8.71	3E+06	2
55	(2R)-2,3-Dihydroxypropanoic acid	C3 H6 O4	106.0254	1.15	3E+06	4
56	α,α-Trehalose	C12 H22 O11	342.1163	1.09	3E+06	4
57	3-(2-Hydroxyethyl)indole	C10 H11 N O	129.0578	9.22	3E+06	2
58	Acetylcholine	C7 H15 N O2	145.11	1.49	3E+06	2
59	DL-Malic acid	C4 H6 O5	134.0204	1.40	3E+06	2
60	N-Acetylalanine	C5 H9 N O3	131.0575	2.98	3E+06	4
61	2-Hydroxy-4-methylthiobutanoic acid	C5 H10 O3 S	150.0342	6.28	3E+06	2
62	Uracil	C4 H4 N2 O2	112.0273	1.90	3E+06	2
63	D-(-)-Quinic acid	C7 H12 O6	192.0627	1.16	3E+06	2
64	Carnosine	C9 H14 N4 O3	226.1063	2.75	3E+06	2
65	Crotetamide	C12 H22 N2 O2	226.1678	10.15	3E+06	4
66	Uric acid	C5 H4 N4 O3	168.0278	3.06	2E+06	2
67	Acetylarginine	C8 H16 N4 O3	216.122	2.16	2E+06	2
68	L-(+)-Arginine	C6 H14 N4 O2	174.1114	1.26	2E+06	4
69	L-Ergothioneine	C9 H15 N3 O2 S	229.088	1.37	2E+06	4
70	Spermine	C10 H26 N4	202.2156	0.90	2E+06	2
71	N3,N4-Dimethyl-L-arginine	C8 H18 N4 O2	202.1426	1.63	2E+06	4
72	Nicotinic acid	C6 H5 N O2	123.032	1.94	2E+06	2
73	3-Ureidopropionic acid	C4 H8 N2 O3	132.0525	1.01	2E+06	2
74	2-Aminooctanedioic acid	C8 H15 N O4	143.0941	5.38	2E+06	4
75	Prolylglycine	C7 H12 N2 O3	172.0845	1.47	2E+06	2
76	9-Oxo-10(E),12(E)-octadecadienoic acid	C18 H30 O3	312.2296	11.56	2E+06	2
77	β-D-Glucopyranuronic acid	C6 H10 O7	194.0419	1.06	2E+06	4
78	5-Hydroxymethyl-2-furaldehyde	C6 H6 O3	126.0317	5.49	2E+06	2
79	Genistein	C15 H10 O5	270.0527	10.94	1E+06	2
80	Gallic acid	C7 H6 O5	170.0208	5.07	1E+06	2
81	2-Hydroxyvaleric acid	C5 H10 O3	118.0619	6.24	1E+06	4
82	2-(Acetylamino)hexanoic acid	C8 H15 N O3	173.1047	8.31	1E+06	2
83	7-Methylguanine	C6 H7 N5 O	165.0649	3.73	1E+06	2
84	2-Aminoadipic acid	C6 H11 N O4	161.0683	4.50	1E+06	4
85	Syringic acid	C9 H10 O5	198.0523	8.34	1E+06	4
86	Prolinamide	C5 H10 N2 O	97.05283	1.13	9E+05	2
87	Thymine	C5 H6 N2 O2	126.043	4.40	8E+05	4
88	N-Acetyl-L-phenylalanine	C11 H13 N O3	207.0893	8.64	8E+05	4
89	Ethyl palmitoleate	C18 H34 O2	282.2554	13.82	8E+05	2
90	3-Isopropylmalic acid	C7 H12 O5	176.0676	1.39	7E+05	4
91	Pseudouridine	C9 H12 N2 O6	244.0693	1.98	7E+05	2
92	Hydrolyzed fumonisin B1	C22 H47 N O5	405.3446	17.48	6E+05	4
93	Corchorifatty acid F	C18 H32 O5	328.2254	11.50	6E+05	2
94	Methylsuccinic acid	C5 H8 O4	132.0412	5.66	5E+05	2
95	D-(+)-Maltose	C12 H22 O11	364.0973	1.09	5E+05	2
96	N-Acetyl-L-tyrosine	C11 H13 N O4	223.0843	7.16	4E+05	4
97	Suberic acid	C8 H14 O4	174.0885	8.88	4E+05	2
98	(2R)-2,3-Dihydroxypropanoic acid	C3 H6 O4	106.0255	19.99	4E+05	4
99	Citroflex 4	C18 H32 O7	360.2141	13.33	3E+05	2
100	Glutaric acid	C5 H8 O4	132.0413	5.02	3E+05	2