. 2021 Nov 27;26(23):7206. doi: 10.3390/molecules26237206

Table 4.

Chemical profile of Myrciaria floribunda fruits identified by PS-MS on negative ionization mode.

No	Identification	Formula	m/z [ ]	MS/MS	Accession									Ref.
No	Identification	Formula	m/z [ ]	MS/MS	AC67	AC92	AC112	AC132	AC136	AC137	AC153	AC156	AC160	Ref.
Flavonoids
1	Reynoutrin	C₂₀H₁₈O₁₁	433	301	X			X	X	X				[25]
2	quercetin pentoside	-	433	301	X			X	X	X				[26]
3	quercetin 3-O-ramnoside (quercitrin)	C₂₁H₂₀O₁₁	447	301	X		X		X				X	[21]
4	myricetin-arabinoside/ xylopyranoside isomer	C₂₀H₁₇O₁₂	449	316, 317		X		X						[25]
5	quercetin-3-glucoside	C₂₁H₂₀O₁₂	463	301	X	X	X	X	X	X	X	X	X	[21]
6	hyperinine	C₂₁H₁₉O₁₂	463	300, 301	X	X	X	X	X	X	X	X	X	[25]
7	myricetin-ramnoside	C₂₁H₂₀O₁₂	463	317	X	X	X	X	X	X	X	X	X	[24]
8	myricitrin	C₂₁H₁₉O₁₂	463	445, 316, 317, 301	X	X	X	X	X	X	X	X	X	[21]
9	quercitrin	C₂₁H₂₀O₁₁	477	301	X		X		X				X	[25]
10	myricetin hexoside isomer	-	479	316, 317	X	X	X		X		X	X	X	[25]
11	Myricetin glucoside	-	479	317	X	X	X		X		X	X	X	[24]
12	Kaempferol-3-O-malonylglucoside	-	533	-		X	X	X		X				[27]
13	procyanidin A2	C₃₀H₂₄O₁₂	577	577									X	[28]
14	cyanidin-3-O-rutinoside	C₂₇H₃₁O₁₅⁺	593	-				X						[27]
15	methyl-dihydromyricetin diglucoside	-	657	495									X	[24]
16	quercetin derivate	-	867	-	X				X
Phenylpropanoids
17	caffeic acid	C₉H₈O₄	179	179, 135	X		X		X	X	X		X	[29]
18	caftaric acid	C₁₃H₁₂O₉	311	-	X	X	X	X	X	X	X		X	[27]
19	p-coumaric acid hexoside	-	325	183	X		X	X	X	X	X	X	X	[27]
20	caffeoyl-D-glucose	-	339	-	X	X		X			X		X	[5,27]
21	caffeoyl hexose	C₁₅H₁₈O₉	341	179		X	X			X				[29]
22	chlorogenic acid	C₁₆H₁₈O₉	353	353						X				[21,30]
Benzoic acid derivates
23	ellagic acid glycoside	C₂₀H₁₆O₁₃	721	-									X	[27]
24	ellagic acid pentoside	-	895	-				X						[27]
25	syringic acid hexoside	-	359	197						X				[27]
26	O-pentosyl ellagic acid	-	433	301	X			X	X	X
27	ellagic acid pentoside	-	433	301	X			X	X	X				[25]
28	digaloyl acid	-	339	339	X	X		X			X		X	[30]
29	ellagic acid derivate	-	585	415	X	X			X					[25]
Fatty acids
30	eicosanoic acid	C₂₀H₄₀O₂	311	293	X	X	X	X	X	X	X		X	[29]
Phenolic acids
31	dimethyl ellagic acid hexoside	C₂₂H₂₂O₁₃	491	475	X			X		X				[27]
Carboxylic acid
32	citric acid	C₆H₈O₇	191	111	X	X	X	X	X	X	X	X	X	[2,30]
Galotanin
33	Quercetin galloyl hexoside isomer	-	615	463		X	X	X			X	X		[25]
Ellagitannins
34	galoyl hexoside ellagic acid	-	615	463, 301		X	X	X			X	X		[21]
35	pedunculagin isomer I	-	783	419				X	X					[31]
36	teligramadine I	C₃₄H₂₆O₂₂	785	301	X	X	X			X				[21]
Lignans
37	cyclo-lariciresinol Hexoside	-	521	359			X			X				[29]
38	conidendrin	C₂₀H₂₀O₆	355	337	X		X	X	X	X	X	X	X	[29]
39	pinoresinol	C₂₀H₂₂O₆	357	311	X				X					[31]
Cyclitol
40	quinic acid	C₇H₁₂O₆	191	111, 173	X	X	X	X	X	X	X	X	X	[32]
Sugars
41	sucrose	C₁₂H₂₂O₁₁	377	341			X			X				[27]
42	hexose	C₆H₁₂O₆	215	179					X					[27]

Compounds identified by other authors in different Myrtaceae species: [28] Cuadrado-Silva, Pozo-Bayón e Osorio. (2017); [24] Faria et al., (2011); [29] Mariano et al., (2020); [31] Mena et al., (2012); [23] Pereira et al., (2017); [27] Rodrigues et al., (2021); [32] Salvador et al., (2011); [25] Santos (2019); [30] Santos et al., (2018); [5] Silva et al., (2019); [21] Teixeira et al., (2015).