ピーク情報

イチョウ　葉

pos

Peak #14030 MN MID: SE205_S01_M90

m/z: 834.57614, RT: 104.06, 強度: 107083, ログ強度: 1.48, アダクト: [M+C2H7N+H]+, 共有数（同様のピークを含むサンプル数）: 6

DB検索結果: (2 names) 1-(9Z,12Z,15Z-octadecatrienoyl)-2-(12-(1'Z,3'Z-hexadienyloxy)-9Z,11E-dodecadienoyl)-3-O-beta-D-galactosyl-sn-glycerol;1(12-(1'Z,3'Z-hexadienyloxy)-9Z,11E-dodecadienoyl)-2-(9Z,12Z,15Z)-octadecatrienoyl...

DBごとのヒット数: ALL 2 LM 2

FlavonoidSearch最大スコア MS2: -, MS3: 0.111

組成式	分子量	誤差(Δppm）	候補化合物名（代表で最短名を記載）	化合物ID
C45H72O11	788.50746	4.505	1-(9Z,12Z,15Z-octadecatrienoyl)-2-(12-(1'Z,3'Z-hexadienyloxy)-9Z,11E-dodecadienoyl)-3-O-beta-D-galactosyl-sn-glycerol	LipidMAPS: LMGL05010039
C45H72O11	788.50746	4.505	1(12-(1'Z,3'Z-hexadienyloxy)-9Z,11E-dodecadienoyl)-2-(9Z,12Z,15Z)-octadecatrienoyl-3-O-beta-D-galactosyl-sn-glycerol	LipidMAPS: LMGL05010046

MSnスペクトル情報

Level: 2, プリカーサーm/z: 834.57452

Splash: splash10-0a4i-0000009000-ffa0487531c0c6b8d04d

m/z	Int.	NL	Rel.Int.
609.42	14660	225	1000
627.18	811	207	55

Level: 3, プリカーサーm/z: 609.41663

Splash: splash10-004i-0090000000-c50405b5d5c59e88db0c

m/z	Int.	NL	Rel.Int.
275.24	968	334	1000
293.11	112	316	115
257.27	94	352	97
239.06	68	370	70
247.27	57	362	59
517.47	50	92	51

Symbolized Name	MSMS-Category	MSMS-Aglycone
[Flavone]-A(1OH, 1OMe, 2(C-Glu))-B(1OH)	Flavone	6,8-Di-C-glucopyranosylgenkwanin
[Flavone]-A(2OH, 1(1(O-(E)-Feruloyl)-C-Glu))-B(1OH)	Flavone	Vitexin 2''-O-(E)-ferulate
[Flavone]-A(2OH, 1(1(O-(E)-Feruloyl)-C-Glu))-B(1OH)	Flavone	Isovitexin 2''-O-(E)-ferulate
[3-substituted Flavone (3-C-Glu)]-A(2OH, 1(C-Glu))-B(1OMe)	3-substituted Flavone	3,6-Di-C-glucopyranosylacacetin
[Flavone]-A(1OH, 1OMe, 1(C-Glu), 1(C-Galactosyl))-B(1OH)	Flavone	6-C-Glucopyranosyl-8-C-galactopyranosylgenkwanin

Level: 3, プリカーサーm/z: 627.18384

Splash: splash10-0a4i-0010049000-f4bb3254271bcf961362

m/z	Int.	NL	Rel.Int.
609.30	37	18	1000
515.43	14	112	385
277.28	7	350	181
535.46	4	92	96

Score	Symbolized Name	MSMS-Category	MSMS-Aglycone
0.111	[Flavone]-A(2OH, 2(C-Glu))-B(3OH)	Flavone	6,8-Di-C-glucopyranosyltricetin
0.000	[Flavone]-A(2OH, 1((O-<2,4,5-Trihydroxycinnamoyl>)-C-Glu))-B(2OH)	Flavone	Isoorientin 2''-(2,4,5-dihydroxycinnamante)

関連ピーク情報

ピーク番号	保持時間 (min)	m/z	m/z差分	ログ強度	アダクト	DB検索結果	ヒット数	MSn	FS3	共有数
14030	104.06	834.57614	0.0000	1.48	[M+C2H7N+H]+	(2 names) 1-(9Z,12Z,15Z-octadecatrienoyl)-2-(12-(1'Z,3'Z-hexadienyloxy)-9Z,11E-dodecadienoyl)-3-O-beta-D-galactosyl-sn-glycerol; 1(12-(1'Z,3'Z-hexadienyloxy)-9Z,11E-dodecadienoyl)-2-(9Z,12Z,15Z)-octadecatrienoyl...	ALL 2 LM 2	MS2 MS3 x 2	0.111	6
	104.03	827.47473	-7.1014	1.05	[M+K]+	(2 names) 1-(9Z,12Z,15Z-octadecatrienoyl)-2-(12-(1'Z,3'Z-hexadienyloxy)-9Z,11E-dodecadienoyl)-3-O-beta-D-galactosyl-sn-glycerol; 1(12-(1'Z,3'Z-hexadienyloxy)-9Z,11E-dodecadienoyl)-2-(9Z,12Z,15Z)-octadecatrienoyl...	ALL 2 LM 2			10
	104.05	820.55949	-14.0166	2.23	[M+CH5N+H]+, [M+4(CH3OH)+CH5N+IsoProp-5(H2O)+H]+	(2 names) 1-(9Z,12Z,15Z-octadecatrienoyl)-2-(12-(1'Z,3'Z-hexadienyloxy)-9Z,11E-dodecadienoyl)-3-O-beta-D-galactosyl-sn-glycerol; 1(12-(1'Z,3'Z-hexadienyloxy)-9Z,11E-dodecadienoyl)-2-(9Z,12Z,15Z)-octadecatrienoyl...	ALL 2 LM 2	MS2 MS3 x 2		8
	104.01	811.50054	-23.0756	1.61	[M+Na]+, [M-H2O+Na]+	(2 names) 1-(9Z,12Z,15Z-octadecatrienoyl)-2-(12-(1'Z,3'Z-hexadienyloxy)-9Z,11E-dodecadienoyl)-3-O-beta-D-galactosyl-sn-glycerol; 1(12-(1'Z,3'Z-hexadienyloxy)-9Z,11E-dodecadienoyl)-2-(9Z,12Z,15Z)-octadecatrienoyl...	ALL 2 LM 2	MS2 MS3 x 2		10
	104.04	806.54544	-28.0307	1.27	[M+NH4]+, [M+3(CH3OH)+CH5N+IsoProp-4(H2O)+H]+, [M-H2O+H]+					10
	104.10	789.51748	-45.0587	1.74	[M+H]+	(2 names) 1-(9Z,12Z,15Z-octadecatrienoyl)-2-(12-(1'Z,3'Z-hexadienyloxy)-9Z,11E-dodecadienoyl)-3-O-beta-D-galactosyl-sn-glycerol; 1(12-(1'Z,3'Z-hexadienyloxy)-9Z,11E-dodecadienoyl)-2-(9Z,12Z,15Z)-octadecatrienoyl...	ALL 2 LM 2			7

ピーク情報

DB検索結果

MSnスペクトル情報

FlavonoidSearch結果

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FlavonoidSearch結果

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