ピーク情報

シロイヌナズナ　地上部

pos

Peak #12091 MN MID: SE200_S1_M90

m/z: 857.50426, RT: 96.92, 強度: 708668, ログ強度: 2.24, アダクト: [M+IsoProp-2(H2O)+Na]+, [M+IsoProp+Na]+, [M+Na]+, [M-H2O+Na]+, 共有数（同様のピークを含むサンプル数）: 2

DB検索結果: (2 names) Thalictoside I;Goyaglycoside g

DBごとのヒット数: ALL 2 KN 1 HM 1

FlavonoidSearch最大スコア MS2: -, MS3: -

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
C43H70O14	810.47656	2.587	Thalictoside I	KNApSAcK: C00032319, C00032320
C43H70O14	810.47656	2.587	Goyaglycoside g	HMDB: HMDB0038350

MSnスペクトル情報

Level: 2, プリカーサーm/z: 857.50433

Splash: splash10-00lr-0000090000-4c55b72882882335ac7b

m/z	Int.	NL	Rel.Int.
533.37	97127	324	1000
565.39	72715	292	748
534.34	24179	323	248
566.37	20447	291	210

Level: 3, プリカーサーm/z: 565.38617

Splash: splash10-001i-0001900000-d58f236b67fb9fe812b5

m/z	Int.	NL	Rel.Int.
481.29	13971	84	1000
409.19	5960	156	426
482.34	3442	83	246
423.29	3266	142	233
347.31	2529	218	181
403.34	2478	162	177
313.13	1849	252	132
451.26	1724	114	123
410.34	1665	155	119
465.25	1574	100	112
533.41	1322	32	94
369.19	1117	196	79
241.04	872	324	62

Symbolized Name	MSMS-Category	MSMS-Aglycone
[Flavone]-A(2OH, 1(C-Glu), 1(C-Xylosyl))-B(1OH)	Flavone	Vicenin 1
[Flavone]-A(2OH, 1(C-Glu), 1(C-Arabinosyl))-B(1OH)	Flavone	Schaftoside
[Flavone]-A(2OH, 1(C-Galactosyl), 1(C-Xylosyl))-B(1OH)	Flavone	Isocorymboside
[Flavone]-A(2OH, 1(C-Arabinosyl), 1(C-Galactosyl))-B(1OH)	Flavone	Neocorymboside
[Flavone]-A(2OH, 1(C-Galactosyl), 1(C-Xylosyl))-B(1OH)	Flavone	6-C-Xylopyranosyl-8-C-galactopyranosylapigenin
[Flavone]-A(2OH, 1(C-Galactosyl), 1(C-Xylosyl))-B(1OH)	Flavone	6-C-Galactopyranosyl-8-C-xylopyranosylapigenin
[Flavone]-A(2OH, 1(C-Glu), 1(C-Xylosyl))-B(1OH)	Flavone	Vicenin 3
[Flavone]-A(2OH, 1(C-Glu), 1(C-Arabinosyl))-B(1OH)	Flavone	Isoschaftoside
[Flavone]-A(2OH, 1(C-Glu), 1(C-Arabinosyl))-B(1OH)	Flavone	Neoschaftoside
[Flavone]-A(2OH, 1(C-Glu), 1(C-Arabinosyl))-B(1OH)	Flavone	Neoisoschaftoside
[Flavone]-A(2OH, 1(C-Glu), 1(C-Apiofuranosyl))-B(1OH)	Flavone	6-C-beta-D-Glucopyranosyl-8-C-beta-D-apiofuranosylapigenin
[Flavone]-A(2OH, 1(C-Arabinosyl), 1(C-Galactosyl))-B(1OH)	Flavone	Corymboside

Level: 3, プリカーサーm/z: 533.36761

Splash: splash10-00xr-0029100000-757593d4944fa9136608

m/z	Int.	NL	Rel.Int.
371.31	2936	162	1000
315.21	1689	218	575
241.06	1045	292	356
372.38	850	161	289
243.11	606	290	206
313.08	583	220	198
383.12	355	150	120
407.25	336	126	114
185.03	302	348	102
316.23	300	217	102
202.97	283	330	96
459.12	261	74	88
515.17	233	18	79
443.44	221	90	75
473.51	221	60	75
389.43	209	144	71
242.18	147	291	50

Symbolized Name	MSMS-Category	MSMS-Aglycone
[2'-Hydroxychalcone]-A(2OH, 1(1(O-Feruloyl)-(E)-4-hydroxyprenyl))-B(2OH)	2'-Hydroxychalcone	Isogemichalcone C
[2'-Hydroxychalcone]-A(2OH, 1(1(O-Feruloyl)-(Z)-4-hydroxyprenyl))-B(2OH)	2'-Hydroxychalcone	Gemichalcone C
[2'-Hydroxychalcone]-A(2OH, 1([2,3:@@]-(6,6-Dimethylpyrano)), 1(3-Acetyl-2,4,6-trihydroxy-5-methylbenzyl))-B(1OH)	2'-Hydroxychalcone	4-Hydroxyrottlerin
[Flavone]-A(2OH, 1(2(O-Acetyl)-C-Glu))-B(2OH)	Flavone	Isoorientin 2'',6''-O-diacetate
[Flavone]-A(1OH, 1OMe, 1(1(O-Acetyl)-C-Glu))-B(2OMe)	Flavone	6''-O-Acetylisoorientin 7,3',4'-trimethyl ether
[Flavone]-A(2OH, 1(2(O-Acetyl)-C-Glu))-B(2OH)	Flavone	Orientin 2'',6''-O-diacetate
[Flavone]-A(2OH, 1(1(O-<2-Methylbutyroyl>)-C-Glu))-B(2OH)	Flavone	Orientin 2''-O-(2'''-methylbutyrate)

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	FS2	FS3	共有数
12091	96.92	857.50426	0.0000	2.24	[M+IsoProp-2(H2O)+Na]+, [M+IsoProp+Na]+, [M+Na]+, [M-H2O+Na]+	(2 names) Thalictoside I; Goyaglycoside g	ALL 2 KN 1 HM 1	MS2 MS3 x 2			2
	96.97	852.54807	-4.9562	2.53	[M+2(CH3OH)+CH5N+IsoProp-H2O+Na]+, [M+C2H7N+CH3OH+IsoProp+Na]+, [M+C2H7N+CH3OH-H2O+H]+, [M+2(CH3OH)+CH5N-2(H2O)+H]+, [2M+IsoProp-2(H2O)+NH4]+, [M+NH4]+	(5 names) Lycogalinoside B; Gagunin B; Lycogalinoside A; Gagunin O; (+)-Gagunin O	ALL 4 KN 4				2

ピーク情報

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MSnスペクトル情報

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