ピーク情報

パセリ　根

pos

Peak #4249 MN MID: SE61_S24_M90

m/z: 473.16520, RT: 41.96, 強度: 16344, ログ強度: 0.72, アダクト: [M+H]+, 共有数（同様のピークを含むサンプル数）: 1

DB検索結果: (6 names) 5'-((Z)-Feruloyl) 3-(2'-methylarabinosylxylose);Sibirioside A;beta-Allamcidin glucoside;1-O-Cinnamoyl-beta-D-gentiobiose;Dexamethasone 21-sulfate;Mitoxantrone dicarboxylic acid

DBごとのヒット数: ALL 6 KN 3 HM 3

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
C21H28O12	472.15808	-0.314	5'-((Z)-Feruloyl) 3-(2'-methylarabinosylxylose)	HMDB: HMDB0030231
C21H28O12	472.15808	-0.314	Sibirioside A	HMDB: HMDB0029281 KNApSAcK: C00037821
C21H28O12	472.15808	-0.314	1-O-Cinnamoyl-beta-D-gentiobiose	HMDB: HMDB0030295 KNApSAcK: C00055537
C21H28O12	472.15808	-0.314	beta-Allamcidin glucoside	KNApSAcK: C00010733
C22H29O8SF	472.15672	2.565	Dexamethasone 21-sulfate	HMDB: HMDB0251078
C22H24O8N4	472.15941	-3.146	Mitoxantrone dicarboxylic acid	HMDB: HMDB0254764

MSnスペクトル情報

Level: 2, プリカーサーm/z: 473.16467

Splash: splash10-00or-0062900000-92777e729b75861f3860

m/z	Int.	NL	Rel.Int.
265.05	1966	208	1000
427.10	1242	46	631
429.18	648	44	329
320.95	447	152	227
455.21	366	18	186
456.17	275	17	139
426.38	269	47	136
387.27	219	86	111
260.95	208	212	105
454.17	152	19	77
428.40	149	45	75
408.29	138	65	69
413.10	133	60	67
207.09	126	266	64
219.05	117	254	59
310.88	113	162	57
294.08	107	179	54
319.88	104	153	52

Symbolized Name	MSMS-Category	MSMS-Aglycone
[Flavan 3-ol]-A(2OH)-B(3OH)-C(1(O-1(OMe)-Galloyl))	Flavan 3-ol	Gallocatechin 3-O-(3-O-methylgallate)
[Flavanone]-A(1OH, 1(C-Prenyl), 1([2,3:@@]-(6,6-Dimethylpyrano)))-B(1([2,3:@@]-(6,6-Dimethylpyrano)))	Flavanone	Euchrenone a14
[Flavanone]-A(1OH, 1(C-Prenyl), 1([2,3:@@]-(6,6-Dimethylpyrano)))-B(1([2,3:@@]-(6,6-Dimethylpyrano)))	Flavanone	Euchrenone a15
[Dihydroflavonol]-A(2OH)-B(3OH)-C(1(O-Galloyl))	Dihydroflavonol	3,5,7,3',4',5'-Hexahydroxyflavanone 3-O-gallate
[Dihydroflavonol]-A(1OH, 1OMe, 1(5-Hydroxy-2-isopropenyl-5-methylhexyl))-B(2OH)	Dihydroflavonol	Kushenol H
[Isoflavone]-A(2OH, 1(2,3-Dihydroxy-3-methylbutyl))-B(1OH, 1([2,3:@@]-(5-(Hydroxyisopropanyl)dihydrofurano)))	Isoflavone	Lupinisoflavone N

Level: 3, プリカーサーm/z: 265.05255

Splash: splash10-014i-0090000000-012cec333a7d9e68f3c9

m/z	Int.	NL	Rel.Int.
219.04	1248	46	1000
233.04	420	32	336

Score	Symbolized Name	MSMS-Category	MSMS-Aglycone
0.000	[2'-Hydroxychalcone]-A(1OH, 1([2,3:@@]-Furano))-B(none)	2'-Hydroxychalcone	2'-Hydroxyfurano[2'',3'':4',3']chalcone

Level: 3, プリカーサーm/z: 427.09540

Splash: splash10-014i-0090100000-8aaa341754858db99dd1

m/z	Int.	NL	Rel.Int.
265.13	507	162	1000
409.29	124	18	245
219.06	102	208	200
233.01	42	194	83

FlavonoidSearch結果

Symbolized Name	MSMS-Category	MSMS-Aglycone
[Flavone]-A(1OH, 1OMe, 1([2,3:@@]-(6,6-Dimethylpyrano)))-B(1OH, 2OMe)	Flavone	5-Hydroxy-8-(4-hydroxy-3,5-dimethoxyphenyl)-10-methoxy-2,2-dimethyl-2H,6H-benzo[1,2-b:5,4-b']dipyran-6-one
[Flavan 3-ol]-A(2OH)-B(1OH)-C(1(O-Galloyl))	Flavan 3-ol	Afzelechin 3-O-gallate
[Flavan 3-ol]-A(2OH)-B(3OH)-C(1(O-p-Hydroxybenzoyl))	Flavan 3-ol	Gallocatechin 3-O-p-hydroxybenzoate
[Dihydrochalcone]-A(3OH, 1(C-Prenyl))-B(2OH, 1(C-Prenyl))	Dihydrochalcone	2',4',6',3,4-Pentahydroxy-3',5-diprenyldihydrochalcone
[Dihydrochalcone]-A(4OH, 1Geranyl)-B(1OH)	Dihydrochalcone	3'-Geranyl-4,2',4',5',6'-pentahydroxydihydrochalcone
[Dihydrochalcone]-A(4OH, 1Neryl)-B(1OH)	Dihydrochalcone	4,2',3',4',6'-Pentahydroxy-5'-neryldihydrochalcone
[Dihydrochalcone beta-ol (beta-OMe)]-A(2OMe, 1([2,3:@@]-(6,6-Dimethylpyrano)))-B(1([@@]-Methylenedioxy))	Dihydrochalcone beta-ol	Ponganone VIII
[Flavanone]-A(1OMe, 1(1(O-Acetyl)-2,4-Dihydroxy-5,5-dimethyltetrahydro-3-furanyl))-B(none)	Flavanone	Tephrorin A
[Flavanone]-A(2OH, 1(5-Hydroxy-2-isopropenyl-5-methylhexyl))-B(1OH)	Flavanone	Kushenol T
[Flavanone]-A(2OH)-B(1OH, 1(7-hydroxy-3,7-dimethyl-2-octenyl))	Flavanone	Propolin E
[Flavan]-A(1OH)-B(1OH, 1(C-Prenyl), 1([2,3:@@]-(6,6-Dimethyl-4,5-dihydroxydihydropyrano)))	Flavan	Broussoflavan A
[6-Hydroxyrotenone]-A(1OH, 1([2,3:@@]-(5-Isopropenyldihydrofurano)))-B(2OMe)	6-Hydroxyrotenone	Villosin
[12a-Hydroxyrotenone]-A(1([2,3:@@]-(5-(1-Hydroxymethylvinyl)dihydrofurano)))-B(2OMe)	12a-Hydroxyrotenone	Dalbinol
[12a-Hydroxyrotenone]-A(1OH, 1([2,3:@@]-(5-Isopropenyldihydrofurano)))-B(2OMe)	12a-Hydroxyrotenone	Villosinol
[12a-Hydroxyrotenone]-A(1OH, 1([2,3:@@]-(6,6-Dimethylpyrano)))-B(2OMe)	12a-Hydroxyrotenone	11-Hydroxytephrosin