Table 1 Identification of the chemical composition of cinnamon aqueous extracts by LC–MS.

From: Identification of potential targets of cinnamon for treatment against Alzheimer’s disease-related GABAergic synaptic dysfunction using network pharmacology

Mol ID	Compound name	Formula	OB (%)	BBB	[M + H]⁺/[M–H]⁻(m/z)	Mass error (ppm)	Fragment mass (m/z)	Retention time (min)
MOL001739	Palmitoleic acid	C₁₆H₃₀O₂	35.78	0.88	253.2164 [M‒H]⁻	− 4.8	169.03305, 96.96008, 82.70850	23.848
MOL000305	Lauric acid	C₁₂H₂₄O₂	23.59	1.1	199.1695 [M‒H]⁻	− 4.7	147.39396, 94.53233	20.39
MOL000105	Protocatechuic acid	C₇H₆O₄	25.37	− 0.17	153.0189 [M‒H]⁻	− 2.5	138.03209, 109.02942, 89.02420	1.694
MOL000114	Vanillic acid	C₈H₈O₄	35.47	0.09	167.0344 [M‒H]⁻	− 2.4	152.01117, 108.02143, 91.01884	3.713
MOL002049	Ferulaldehyde	C₁₀H₁₀O₃	49.26	0.58	177.0553 [M‒H]⁻	− 3.8	162.03226, 133.06598	10.403
MOL002295	Cinnamic acid	C₉H₈O₂	19.68	0.96	193.0500 [M‒H]⁻	− 3.5	149.06070, 134.03729, 117.03455	7.558
MOL002225	Cinnamyl alcohol	C₉H₁₀O	38.35	1.09	133.0657 [M‒H]⁻	− 2.2	115.92085, 99.92255, 74.51443	11.893
MOL001456	Citric acid	C₆H₈O₇	56.22	− 1.38	191.0552 [M‒H]⁻	− 1.8	129.01930, 111.00871, 87.00870, 85.02945	1.091
MOL000513	Gallic acid	C₇H₆O₅	31.69	− 0.54	169.0136 [M‒H]⁻	− 3	125.06057, 97.03084, 81.03530	1.238
MOL000771	p-Hydroxy-cinnamic acid	C₉H₈O₃	43.29	0.13	163.0398 [M‒H]⁻	− 3.1	145.06601, 119.05019	6.583
MOL000103	4-Hydroxybenzoic acid	C₇H₆O₃	30.15	0.21	137.0241 [M‒H]⁻	− 2.8	108.02285, 79.41434, 70.05586, 61.27248	5.849
MOL000219	Benzoic acid	C₇H₆O₂	31.55	0.84	121.0293 [M‒H]⁻	− 1.1	109.02670, 92.02802, 52.66825	7.27
MOL000360	Ferulic acid	C₁₀H₁₀O₄	39.56	− 0.03	193.0500 [M‒H]⁻	− 4.5	178.02681, 149.06070, 137.02444, 117.03455	7.558
MOL001837	Methyl 4-hydroxycinnamate	C₁₀H₁₀O₃	20.14	0.5	177.0551 [M‒H]⁻	− 3.8	145.02945, 119.05059, 93.03439	9.922
MOL004102	2-Hydroxycinnamic acid	C₉H₈O₃	53.6	0.28	163.0396 [M‒H]⁻	− 3.2	142.75320, 119.05009, 104.70478, 72.61282	8.61
MOL001807	Syringic acid	C₉H₁₀O₅	47.78	0.1	197.0449 [M‒H]⁻	− 4.5	153.01913, 137.02437, 125.02437	2.338
MOL000431	Coumarin	C₉H₆O₂	29.17	1.3	147.0443 [M + H]⁺	− 1.7	119.04967, 103.05430, 91.05426	10.302
MOL000250	trans-Cinnamaldehyde	C₉H₈O	27.21	1.45	133.0649 [M + H]⁺	− 1.1	105.06988, 77.03823, 55.01781	13.357
MOL000704	Styrene	C₈H₈	29.55	2	105.0698 [M + H]⁺	− 1.8	95.04926, 77.03852, 59.47728	13.314
MOL000261	Myristicin	C₁₁H₁₂O₃	17.99	1.14	175.0757 [M + H]⁺	− 0.2	133.06520, 117.007018, 107.04935, 91.05431	10.386
MOL002003	( −)-Caryophyllene oxide	C₁₅H₂₄O	32.67	1.76	222.0467 [M + H]⁺	0.8	203.17975, 177.12729, 147.11705, 133.10139	14.505
MOL000991	Cinnamaldehyde	C₉H₈O	31.99	1.48	133.06479 [M + H]⁺	0	133.06479	4.89
MOL003530	2-Hydroxycinnamaldehyde	C₉H₈O₂	26.52	1.18	149.0496 [M + H]⁺	− 0.1	121.06494, 104.05760, 77.03910, 55.01800	10.264
MOL007283	( +)-Procyanidin B2	C₃₀H₂₆O₁₂	3.01	− 2.02	579.1493 [M + H]⁺	− 0.6	299.05600, 163.03934, 127.03913	6.897
MOL000874	Paeonol	C₉H₁₀O₃	28.79	0.84	167.0706 [M + H]⁺	0.7	155.07054, 137.05992, 109.06483	15.47
MOL000004	Procyanidin B1	C₃₀H₂₆O₁₂	67.87	− 1.97	579.1493 [M + H]⁺	− 0.6	299.05600, 287.05569, 163.03934, 127.03913	6.89
MOL013205	4-Methoxycinnamaldehyde	C₁₀H₁₀O₂	59.64	0.98	163.0753 [M + H]⁺	− 1.4	135.08061, 121.06494, 107.04929	6.597
MOL000396	( +)-syringaresinol	C₂₂H₂₆O₈	3.29	− 0.34	418.0781 [M + H]⁺	0.2	375.80878, 264.23254, 246.22183, 167.07042	10.578
MOL000249	Methyl cinnamate	C₁₀H₁₀O₂	18.42	1.3	163.0755 [M + H]⁺	− 1.4	135.08061, 121.06494, 107.04929, 77.03874	6.578
MOL003774	Propyl cinnamate	C₁₂H₁₄O₂	39.22	1.22	191.0854 [M + H]⁺	0.7	149.09644, 131.08583, 79.05413	8.197

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Table 1 Identification of the chemical composition of cinnamon aqueous extracts by LC–MS.

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