ピーク情報

そらまめ未熟豆生

pos

Peak #1179 MN MID: SE116_S061241_M90

m/z: 485.13970, RT: 20.89, 強度: 31232, ログ強度: 1.12, アダクト: [M+H]+, 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) N-[[3-(b-D-Glucopyranosyloxy)-2,3-dihydro-2-oxo-1H-indol-3-yl]acetyl]aspartic acid;eribaxaban

DBごとのヒット数: ALL 2 HM 2

FlavonoidSearch最大スコア MS2: -, MS3: 0.167

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
C20H24O12N2	484.13292	-1.043	N-[[3-(b-D-Glucopyranosyloxy)-2,3-dihydro-2-oxo-1H-indol-3-yl]acetyl]aspartic acid	HMDB: HMDB0039409
C24H22O4N4ClF	484.13136	2.185	eribaxaban	HMDB: HMDB0251919

MSnスペクトル情報

Level: 2, プリカーサーm/z: 485.13971

Splash: splash10-0600-0009300000-e85008ca99ceb7249dc5

m/z	Int.	NL	Rel.Int.
323.10	5095	162	1000
308.08	4324	177	848
467.03	3257	18	639
146.04	872	339	171
305.12	456	180	89
449.12	307	36	60

Symbolized Name	MSMS-Category	MSMS-Aglycone
[Dihydrochalcone]-A(2OH, 1OMe, 1(2x2-hydroxybenzyl))-B(none)	Dihydrochalcone	Angoluvarin
[Dihydrochalcone]-A(2OH, 1OMe, 1(2-Hydroxybenzyl), 1(2-Hydroxybenzyl))-B(none)	Dihydrochalcone	Diuvaretin
[Flavanone]-A(1OH, 1(1(O-Cinnamoyl)-2,2-Dimethyl-3-hydroxytetrahydro-4-furanyl))-B(none)	Flavanone	Tephrorin B

Level: 3, プリカーサーm/z: 308.06497

Splash: splash10-0002-0900000000-56d163a426f348b10c40

m/z	Int.	NL	Rel.Int.
145.93	655	162	1000
188.17	67	120	101
290.16	38	18	58

Level: 3, プリカーサーm/z: 323.09601

Splash: splash10-0f6t-0905000000-f95663cb656047b055be

m/z	Int.	NL	Rel.Int.
146.02	650	177	1000
304.98	412	18	634

FlavonoidSearch結果

Score	Symbolized Name	MSMS-Category	MSMS-Aglycone
0.167	[Dihydroflavonol]-A(1([2,3:@@]-(6,6-Dimethylpyrano)))-B(none)	Dihydroflavonol	3-Hydroxyisolonchocarpin
0.167	[Flavan 3-ol]-A(4OH)-B(2OH)	Flavan 3-ol	Elephantorrhizol
0.100	[Chalcone]-A(1([2,3:@@]-(6,6-Dimethylpyrano)))-B(2OH)	Chalcone	Munsericin
0.091	[Flavanone]-A(1OH, 1([2,3:@@]-(6,6-Dimethylpyrano)))-B(none)	Flavanone	Obovatin
0.071	[Flavanone]-A(1([2,3:@@]-(6,6-Dimethylpyrano)))-B(1OH)	Flavanone	4'-Hydroxyisolonchocarpin
0.071	[Flavanone]-A(1OH)-B(1([2,3:@@]-(6,6-Dimethylpyrano)))	Flavanone	Abyssinone I
0.071	[2'-Hydroxychalcone]-A(2OH, 1([2,3:@@]-(6,6-Dimethylpyrano)))-B(none)	2'-Hydroxychalcone	Flemichapparin A
0.071	[2'-Hydroxychalcone]-A(2OH)-B(1([2,3:@@]-(6,6-Dimethylpyrano)))	2'-Hydroxychalcone	Kanzonol B
0.071	[2'-Hydroxychalcone]-A(1OH, 1([2,3:@@]-(6,6-Dimethylpyrano)))-B(1OH)	2'-Hydroxychalcone	Isobavachromene
0.071	[2'-Hydroxychalcone]-A(1OH, 1([2,3:@@]-(6,6-Dimethylpyrano)))-B(1OH)	2'-Hydroxychalcone	Bavachromene
0.067	[2'-Hydroxychalcone]-A(1OH, 1OMe, 1(C-Prenyl))-B(none)	2'-Hydroxychalcone	Derricin
0.063	[Flavanone]-A(1OMe, 1(C-Prenyl))-B(none)	Flavanone	Isoderricin A
0.059	[Flavone]-A(1OH, 1(C-Prenyl))-B(1OH)	Flavone	7,4'-Dihydroxy-8-prenylflavone
0.059	[Flavone]-A(1OH)-B(1OH, 1(C-Prenyl))	Flavone	Kanzonol D
0.059	[Flavone]-A(1OH)-B(1OH, 1(C-Prenyl))	Flavone	Licoflavone A
0.059	[Flavone]-A(2OH, 1(C-Prenyl))-B(none)	Flavone	5,7-Dihydroxy-8-prenylflavone
0.056	[Isoflavone]-A(1OH)-B(1OH, 1(C-Prenyl))	Isoflavone	Neobavaisoflavone
0.000	[Pterocarpan]-A(1([2,3:@@]-(6,6-Dimethylpyrano)))-B(1OH)	Pterocarpan	Neorautenol
0.000	[Pterocarpan]-A(1OH)-B(1([2,3:@@]-(6,6-Dimethylpyrano)))	Pterocarpan	Phaseollin
0.000	[Pterocarpan]-A(1OH)-B(1([2,3:@@]-(6,6-Dimethylpyrano)))	Pterocarpan	Isoneorautenol
0.000	[Chalcone]-A(1OMe, 1([2,3:@@]-Furano))-B(1([@@]-Methylenedioxy))	Chalcone	Ovalitenin C
0.000	[Flavone]-A(1([2,3:@@]-Furano))-B(2OMe)	Flavone	Millettocalyxin C
0.000	[Flavonol (3-OMe)]-A(1([2,3:@@]-Furano))-B(1OMe)	Flavonol	3,4'-Dimethoxyfurano[2,3:7,8]flavone
0.000	[Flavan 3,4-diol]-A(2OH)-B(3OH)	Flavan 3,4-diol	Gallocatechin-4-ol
0.000	[isoflavene]-A(1OH)-B(1OH, 1([2,3:@@]-(6,6-Dimethylpyrano)))	isoflavene	Glabrene

ピーク情報

DB検索結果

MSnスペクトル情報

FlavonoidSearch結果

FlavonoidSearch結果

FlavonoidSearch結果

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