Table 2.

Phytochemical profile of the MEAIL

S. No	RT	Formula	m/z	Mass	Phytochemical name	%	Chemical descriptors
							HBDC	HBAC
1	0.439	C7 H9 N O2 S	176.013	171.034	O-Toluenesulfamide	0.386	1	2
2	0.493	C5 H14 N O	104.108	104.108	Choline	0.397	1	2
3	0.5	C15 H18 O10	381.081	358.091	Mebeverine metabolite (Veratric acid glucuronide)	1.523	5	9
4	0.521	C7 H9 N O3	138.056	155.059	Ethosuximide M5	2.145	1	3
5	0.535	C8 H15 N O3	156.103	173.107	Methyl N-(amethylbutyryl)glycine	0.648	1	2
6	0.603	C17 H17 N3 O	262.130	279.133	Desmethylondansetron	0.110	1	2
7	0.606	C12 H19 N5 O4	280.141	297.144	His Ala Ala	0.115	5	6
8	0.617	C10 H19 N O	174.125	169.146	Lupinine	0.126	1	2
9	0.62	C17 H17 N3 O2	318.120	295.131	6-Hydroxydesmethylondansetron	0.132	2	3
10	0.622	C10 H13 N5 O4	268.106	267.096	3-Deoxyguanosine	0.137	4	8
11	0.642	C18 H19 N3 O	276.146	293.149	Ondansetron	0.143	0	2
12	0.656	C14 H24 O2	229.156	224.178	3,4-Tetradecadienoic acid	0.154	1	2
13	0.668	C11 H14 O3	199.073	194.094	Orthothymotinic Acid	0.165	2	3
14	0.675	C4 H9 N O2	86.061	103.064	Dimethylglycine	0.171	1	3
15	0.685	C14 H20 O	209.130	204.152	13-Tetradecen-2,4-diyn-1-ol	0.176	1	1
16	0.75	C6 H11 N O4	144.066	161.069	L-2-Aminoadipic acid	0.182	3	5
17	0.759	C7 H11 N O4	156.067	173.070	2,6-Piperidinedicarboxylic acid	0.187	3	5
18	0.861	C6 H15 N O6 S	230.068	229.061	N-Tris[hydroxymethyl]methyl2-aminoethanesulfonic acid	0.193	5	7
19	0.902	C19 H17 N3	310.130	287.141	Pararosaniline	0.198	3	3
20	1.633	C6 H11 N O3	128.072	145.075	Propionylglycine methyl ester	1.556	1	2
21	3.257	C17 H14 O4	283.094	282.087	Dehydrovariabilin	0.160	0	3
22	3.425	C17 H20 N2 O2	289.128	284.149	Tropicamide	0.165	1	3
23	3.516	C19 H20 O7	343.115	360.119	Elephantopin	0.171	1	5
24	4.665	C10 H8 O4	193.051	192.044	4-Methyldaphnetin	0.342	2	3
25	4.839	C20 H17 F O2 S	341.099	340.092	Sulindac sulfide	0.342	1	2
26	4.95	C13 H18 O2	189.129	206.132	Ibuprofen	0.353	1	2
27	4.955	C20 H28 N4 O5	409.184	404.206	Val TrpThr	0.364	6	6
28	5.002	C21 H22 O9	401.120	418.124	Fenoprofen glucuronide	0.342	5	8
29	5.677	C11 H16 O3	197.119	196.112	Benzenemethanol, 2-(2aminopropoxy)-3-methyl	1.241	2	3
30	5.68	C9 H9 N O2	146.062	163.065	4-(3-Pyridyl)-3-butenoic acid	0.273	1	3
31	5.878	C11 H12 N4 O2 S	287.057	264.068	Sulfamerazine	0.330	2	5
32	6.053	C12 H20 O4	233.1172	228.138	Traumatic acid	0.342	2	4
33	6.054	C12 H18 O3	193.1246	210.127	(3S,7R)-epi-jasmonic acid	0.331	1	3
34	6.414	C20 H26 N2 O9	421.1625	438.165	1-[[2-(2,3-dihydro-2-oxo-1Hindol-4yl)ethyl]propylcarbamate] glucuronide	0.331	5	8
35	6.6	C15 H18 O7	293.1043	310.107	Picrotin	0.375	2	6
36	6.68	C10 H8 O4	193.0518	192.044	2,10-Dihydroxy-4,6,8decatriynoic acid	0.297	3	4
37	7.079	C18 H21 N O5	314.1404	331.143	Ambelline	0.307	1	6
38	7.095	C27 H29 N3 O6	496.180	491.201	Tyr Phe Tyr	0.165	6	7
39	7.315	C13 H24 N O6	272.1456	290.156	3-Methylglutarylcarnitine	0.342	1	6
40	8.425	C18 H28 O3	275.2028	292.206	13-Keto-9Z,11E,15Zoctadecatrienoic acid	0.224	1	3
41	8.425	C20 H32 O6	351.216	368.219	PGG2	0.297	2	6
42	8.843	C14 H12 O4	245.0833	244.076	Thyroacetic acid	0.273	2	3
43	8.843	C15 H14 O6	291.0884	290.081	Catechin	1.523	5	6
44	9.037	C28 H44 N2 O8 S	573.2534	568.274	Leukotriene F4	1.523	6	9
45	9.988	C18 H30 O5	291.1976	308.200	2R-hydroperoxy-9Z,12Z,15Zoctadecatrienoic acid	0.735	3	5
46	10.587	C15 H26 N6 O4 S	387.1821	386.174	Lys His Cys	0.342	7	7
47	11.262	C15 H16 O4	261.1145	260.107	Peucenin	0.309	2	4
48	11.901	C39 H54 O11	699.3566	698.349	Heudelottin C	0.297	2	7
49	11.902	C19 H26 N2 O2 S	715.3302	346.169	Pergolide sulfone	0.847	1	3
50	11.903	C18 H30 O2	261.2235	278.226	9Z,12Z,15E-Octadecatrienoic acid	0.847	1	2
51	12.802	C18 H30 O3	277.2186	294.221	13-Oxo-ODE	0.384	1	3
52	13.068	C27 H53 N O8 P	532.3491	550.360	GPCho(16:0/3:1(2E))	0.674	1	7
53	13.07	C30 H44 O9	553.2782	548.299	Peruvoside	0.674	3	8
54	13.074	C19 H38 O4	353.270	330.281	1-Hexadecanoyl-sn-glycerol	0.674	2	4
55	13.879	C20 H34 O4	321.243	338.247	8,9-Dihydroxy-5,11,14eicosatrienoic acid	0.297	3	4
56	14.663	C22 H39 N O4	364.286	381.289	5,6-DiHETrE-EA	0.165	4	4
57	14.886	C16 H24 O5	301.1428	296.164	Lactone of PGF-MUM	0.320	1	4
58	14.896	C8 H6 O4	149.025	166.028	Terephthalic acid	0.154	2	4
59	15.064	C16 H35 N O2	278.2496	273.270	C16 Sphinganine	0.268	3	3
60	15.295	C25 H36 N8 O12	623.2499	640.253	5-MethyltetrahydropteroyltriL-glutamate	0.172	7	16
61	15.398	C22 H36 O3	349.2752	348.267	Larixol Acetate	0.264	2	3
62	15.64	C19 H35 N O2	292.2653	309.268	Dicyclomine	0.220	0	2
63	15.691	C23 H38 O3	367.2634	362.284	24-Nor-5beta-chol-22-ene3alpha,7alpha,12alpha-triol	0.176
64	16.125	C17 H26 N4 O	16.125	302.210	Emedastine	0.126	0	4
65	16.428	C35 H42 N2 O9	639.281	634.302	Rescinnamine	0.203	1	8
66	16.802	C18 H32 O3	279.233	296.236	12-Hydroxy-10-octadecynoic acid	1.026	2	3
67	17.079	C18 H28 O2	259.2074	276.210	6,11-Octadecadiynoic acid	1.655	1	2
68	17.514	C33 H36 N4 O6	607.2557	584.266	Bilirubin	0.132	6	6
69	17.535	C26 H46 O5	461.3243	438.335	27-Nor-5b-cholestane3a,7a,12a,24,25-pentol	0.139	5	5
70	17.580	C18 H37 N O2	282.2806	299.283	N-(2hydroxyethyl)palmitamide	0.121	2	2
71	17.799	C22 H43 N5 O13	608.2627	585.273	Amikacin	0.821	13	15
72	17.799	C35 H36 N4 O6	609.2701	608.263	Harderoporphyrin	0.993	5	9
73	18.259	C29 H40 N2 O11	615.2574	592.268	Ramipril glucuronide	4.524	5	10
74	18.267	C29 H39 N5 O7	592.264	569.280	Enkephaline, (D-Ala)2-Leu	4.520	5	8
75	18.851	C30 H40 O7	535.2697	512.280	3-Deoxo-3betaacetoxydeoxydihydroge Dunin	0.507	0	4
76	19.449	C19 H34 O3	293.2482	310.251	Methoprene (S)	0.450	0	2
77	19.555	C32 H42 O9	553.2801	570.283	Deoxykhivorin	0.123	0	4
78	19.825	C30 H46 O4	493.3287	470.339	(22R)-1alpha,22,25trihydroxy-26,27-dimethyl23,24-tetradehydro-24ahomo-20-epivitamin D3 / (22R)-1a	0.060	4	4
79	20.018	C30 H42 N2 O11	607.2903	606.283	Trandolapril glucuronide	2.304	5	10
80	20.177	C40 H56 O3	567.4182	584.421	Flavoxanthin	2.295	2	3
81	20.181	C40 H56 O2	551.4237	568.427	Tunaxanthin J/ Chiriquixanthin B	2.065
82	20.475	C39 H64 O5	613.482	612.474	1-(9Z-hexadecenoyl)-2(5Z,8Z,11Z,14Z,17Zeicosapentaenoyl)-snglycerol	0.437	1	3
83	20.654	C24 H40 O5	413.266	408.287	3beta,6alpha,7alphaTrihydroxy-5beta-cholan-24oic Acid	0.551	4	5
84	20.943	C41 H74 O8 P	708.5096	725.513	1-Octadecanoyl-2(5Z,8Z,11Z,14Zeicosatetraenoyl)-sn-glycero3-phosphate	0.476	2	5
85	21.661	C45 H74 O10	797.5159	774.526	1,2 Di-(9Z,12Z,15Zoctadecatrienoyl)-3-O-Beta-Dgalactosyl-sn-glycerol	0.337	4	8
86	21.896	C45 H78 N O8 P	792.5601	791.552	GPEtn(18:0/22:6(4Z,7Z,10Z,1 3Z,16Z,19Z))	0.264	2	5
87	26.117	C2 H6 Al N O4	139.9883	135.007	Dihydroxyaluminumaminoacetate	0.158	3	4

The analysis was performed using HR-LC/Q-TOF/MS and prediction of HBDC, HBAC were done using Marvin sketch,a chemoinformatics tool

RT retention time, % percentage of compound present in the extract, HBDC hydrogen bond donor count, HBAC hydrogen bond acceptor count, m/z mass to charge ratio