Table 1.

Metabolite distribution for wastewater by means of HPLC/MS Q‐TOF analysis.

Entry	Compound	Molecular formula	Chemical class	ESI− [M − H]− (m/z) (Calcd.)	ESI− [M − H]− (m/z) (Found)	Rt (min)	Area %a
1	Glucose	C6H12O6	Carbohydrate	179.0561	179.0569	0.72	0.07
2	Disaccharide	C12H22O11	Carbohydrate	341.1089	341.1081	0.74	0.01
3	Isocitric acid	C6H8O7	Organic acid	191.0197	191.0200	0.87	1.20
4	Citric acid	C6H8O7	Organic acid	191.0197	191.0202	1.05	2.44
5	Homocitric acid	C7H10O7	Organic acid	205.0354	205.0353	1.22	0.23
6	Geranyl diphosphate	C10H20O7P2	Terpene	313.0612	313.0604	1.87	0.13
7	Caffeic acid glucuronide	C16H20O9	Cinnamic acid derivative	355.0671	355.0676	2.32	0.04
8	Caffeic acid glucuronide isomer	C16H20O9	Cinnamic acid derivative	355.0671	355.0675	2.83	0.07
9	Caffeoylmalic acid	C13H12O8	Cinnamic acid derivative	295.0488	295.0468	3.35	0.05
10	Salicyl glucuronate	C13H14O9	Salicylate	313.0565	313.0568	3.36	0.09
11	Feruloylgalactaric acid	C16H18O11	Cinnamic acid derivative	385.0776	385.0771	3.76	0.08
12	Coumaric acid glucoside	C15H18O8	Cinnamic acid derivative	325.0929	325.0928	4.46	0.03
13	Feruloylgalactaric acid isomer	C16H18O11	Cinnamic acid derivative	385.0776	385.0772	5.64	0.08
14	Citroside B	C19H30O8	Terpene	431.1923 [M + FA − H]−	431.1910 [M + FA − H]−	6.06	0.06
15	Anhydroglucose	C6H10O5	Carbohydrate	161.0456	161.0451	8.38	0.03
16	Neohesperidin	C27H30O16	Methoxylated flavonoid	609.1461	609.1437	9.76	0.01
17	Vicenin 2	C27H30O15	Non‐methoxylated flavonoid	593.1512	593.1530	10.84	0.06
18	Naringin glucoside	C33H42O19	Non‐methoxylated flavonoid	741.2248	741.2247	11.21	0.01
19	Diosmetin diglucoside	C28H32O16	Methoxylated flavonoid	623.1618	623.1621	11.69	0.02
20	Limonin‐17‐β‐d‐glucoside	C32H42O14	Limonoid	649.2502	649.2506	12.44	0.28
21	Abscisic acid glucopyranosyl ester	C21H30O9	Terpene	471.1872 [M + FA − H]−	471.1874 [M + FA − H]−	12.77	0.03
22	Dicaffeoyl quinic acid	C25H24O12	Cinnamic acid derivative	561.1250 [M + FA − H]−	561.1235 [M + FA − H]−	13.27	0.02
23	Deacetylnomilinic acid glucoside	C32H46O15	Limonoid	669.2764	669.2791	13.90	0.02
24	Naringin	C27H32O14	Non‐methoxylated flavonoid	579.1719	579.1735	14.50	0.10
25	Deacetylnomilin glucopyranoside	C32H44O14	Limonoid	651.2658	651.2686	15.18	0.03
26	Hesperidin	C28H34O15	Methoxylated flavonoid	609.1825	609.1836	15.56	0.12
27	Nomilin glucopyranoside	C34H46O15	Limonoid	693.2764	693.2784	16.64	0.04
28	Nomilinic acid glucoside	C34H48O16	Limonoid	711.2870	711.2885	17.01	0.16
29	Demethylnobiletin	C20H20O8	Methoxylated flavonoid	389.1231 [M + H]+	389.1240 [M + H]+	25.21	0.76
30	Limonin	C26H30O8	Limonoid	515.1923 [M + FA − H]−	515.1936 [M + FA −H]−	26.06	0.04
31	Tangeretin	C20H20O7	Methoxylated flavonoid	373.1282 [M + H]+	373.1289 [M + H]+	26.07	10.27
32	Methoxytangeretin	C21H22O8	Methoxylated flavonoid	403.1387 [M + H]+	403.1396 [M + H]+	26.47	18.45
33	Nobiletin	C21H22O8	Methoxylated flavonoid	403.1387 [M + H]+	403.1398 [M + H]+	26.80	39.36
34	Tetramethoxyflavone	C19H18O6	Methoxylated flavonoid	343.1176 [M + H]+	343.1195 [M + H]+	26.97	14.68
35	Methoxynobiletin	C22H24O9	Methoxylated flavonoid	433.1493 [M + H]+	433.1492 [M + H]+	27.24	10.95

^a Area % obtained from total ion counts (TIC) traces.