ピーク情報

リーフレタスグリーン

pos

Peak #3777 MN MID: SE198_S12_M90

m/z: 427.15786, RT: 35.46, 強度: 26187, ログ強度: 0.92, アダクト: [M+H]+, 共有数（同様のピークを含むサンプル数）: 18

DB検索結果: (12 names) Chitobiose;6-(2-Carboxyethyl)-7-hydroxy-2,2-dimethyl-4-chromanone glucoside;(R)-Peucedanol 7-O-beta-D-glucopyranoside;Pectinolide E;Bruceine H;(-)-Yadanziolide A;Hymenoside V;(+)-Hymenoside V;Praerosi...

DBごとのヒット数: ALL 9 KN 7 HM 2

FlavonoidSearch最大スコア MS2: -, MS3: -

安定同位体ラベル実験で見積もられた原子数:

N: 6

S: 0

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
C15H26O12N2	426.14857	4.704	Chitobiose	HMDB: HMDB0003556
C20H26O10	426.15260	-4.736	6-(2-Carboxyethyl)-7-hydroxy-2,2-dimethyl-4-chromanone glucoside	HMDB: HMDB0034032
C20H26O10	426.15260	-4.736	Pectinolide E	KNApSAcK: C00036193
C20H26O10	426.15260	-4.736	(R)-Peucedanol 7-O-beta-D-glucopyranoside	KNApSAcK: C00031472
C20H26O10	426.15260	-4.736	Bruceine H	KNApSAcK: C00050543
C20H26O10	426.15260	-4.736	Hymenoside V	KNApSAcK: C00033048
C20H26O10	426.15260	-4.736	Praeroside VI	KNApSAcK: C00031078, C00042468
C20H26O10	426.15260	-4.736	Tortuoside	KNApSAcK: C00020028, C00042467
C20H26O10	426.15260	-4.736	8-C-Glucosyl-7-O-methylaloediol	KNApSAcK: C00042182

MSnスペクトル情報

Level: 2, プリカーサーm/z: 427.15738

Splash: splash10-0002-0090000000-b49823c5c0bbbaef44e4

m/z	Int.	NL	Rel.Int.
295.18	13624	132	1000
294.11	699	133	51

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

Level: 3, プリカーサーm/z: 295.12024

Splash: splash10-0udi-0900000000-88b1a13a25a7a4f673cb

m/z	Int.	NL	Rel.Int.
150.07	1824	145	1000

Symbolized Name	MSMS-Category	MSMS-Aglycone
[Auronol (2-OMe)]-A(1([2,3:@@]-Furano))-B(none)	Auronol	Castillene A
[beta-Hydroxy(or Oxodihydro)chalcone]-A(1OMe, 1Oxo, 1([2,3:@@]-Furano))-B(none)	beta-Hydroxy(or Oxodihydro)chalcone	Pongamol
[Flavanone]-A(1OMe, 1([2,3:@@]-Furano))-B(none)	Flavanone	6-Methoxy-[2'',3'':7,8]furanoflavanone
[Dihydroflavonol (3-OMe)]-A(1([2,3:@@]-Furano))-B(none)	Dihydroflavonol	3-Methoxy-[2'',3'':7,8]furanoflavanone
[2-substituted Isoflavone (2-Methyl)]-A(1OH, 1Acetyl)-B(none)	2-substituted Isoflavone	Glyzarin
[Pterocarpan]-A(1([2,3:@@]-Furano))-B(1OMe)	Pterocarpan	9-O-Methylneodunol

Level: 3, プリカーサーm/z: 294.17737

Splash: splash10-014r-0090000000-5acad666abf6c465eca8

m/z	Int.	NL	Rel.Int.
266.19	100	28	1000
235.13	100	59	994
208.02	32	86	317
216.99	24	77	234
234.08	14	60	143
232.04	14	62	134
189.17	7	105	73
189.86	6	104	63
248.28	6	46	60