ピーク情報

イネ　葉　コシヒカリ

pos

Peak #4492 MN MID: SE199_S31_M90

m/z: 509.14539, RT: 48.80, 強度: 79371, ログ強度: 1.35, 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: (3 names) 2-(Diphenylmethyl)-N-((2-iodophenyl)methyl)-3-quinuclidinamine;Picramnioside D;(+)-Picramnioside D

DBごとのヒット数: ALL 2 KN 1 HM 1

FlavonoidSearch最大スコア MS2: 0.077, MS3: 0.080

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
C27H29N2I	508.13755	1.119	2-(Diphenylmethyl)-N-((2-iodophenyl)methyl)-3-quinuclidinamine	HMDB: HMDB0253855
C27H24O10	508.13695	2.299	Picramnioside D	KNApSAcK: C00037635, C00037636

MSnスペクトル情報

Level: 2, プリカーサーm/z: 509.14404

Splash: splash10-0a4i-0009100000-5039015a1bb673533d80

m/z	Int.	NL	Rel.Int.
355.10	154627	154	1000
491.26	32257	18	208

Score	Symbolized Name	MSMS-Category	MSMS-Aglycone
0.077	[Dihydroflavonol]-A(2OH, 1(C-Prenyl))-B(2OH, 2(C-Prenyl))	Dihydroflavonol	Petalostemumol
0.000	[Flavanone]-A(1OH, 1([2,3:@@]-(6,6-Dimethyl-5-hydroxydihydropyrano)))-B(2OH, 1Geranyl)	Flavanone	Tanariflavanone A
0.000	[Flavanone]-A(2OH, 1(C-Prenyl), 1Lavandulyl)-B(3OH)	Flavanone	Exiguaflavanone J
0.000	[Flavanone]-A(2OH, 1(C-Prenyl), 1Geranyl)-B(3OH)	Flavanone	Tomentosanol E
0.000	[Dihydroflavonol]-A(2OH, 1(C-Prenyl), 1Lavandulyl)-B(2OH)	Dihydroflavonol	Kushenol M
0.000	[Dihydroflavonol]-A(2OH, 1(C-Prenyl))-B(2OH, 1Geranyl)	Dihydroflavonol	Sanggenol K
0.000	[Dihydroflavonol]-A(2OH)-B(2OH, 1(C-Prenyl), 1Geranyl)	Dihydroflavonol	Sanggenol D

Level: 3, プリカーサーm/z: 355.10272

Splash: splash10-0006-0029000000-c47ed55a43a6f3e59bfb

m/z	Int.	NL	Rel.Int.
340.12	63154	15	1000
295.11	25049	60	396
322.11	19719	33	312
339.33	9051	16	143
323.19	7844	32	124

FlavonoidSearch結果

Score	Symbolized Name	MSMS-Category	MSMS-Aglycone
0.105	[Chalcone]-A(2OH)-B(1OH, 1OMe, 1(C-Prenyl))	Chalcone	Licoagrochalcone C
0.105	[Chalcone]-A(1OH, 1(C-Prenyl))-B(2OH, 1OMe)	Chalcone	Licochalcone D
0.056	[2'-Hydroxychalcone]-A(2OH, 1OMe, 1(C-Prenyl))-B(1OH)	2'-Hydroxychalcone	Xanthohumol
0.056	[2'-Hydroxychalcone]-A(2OH, 1OMe, 1(C-Prenyl))-B(1OH)	2'-Hydroxychalcone	Xanthogalenol
0.053	[Flavanone]-A(2OH, 1OMe, 1(C-Prenyl))-B(none)	Flavanone	Agrandol
0.053	[Flavanone]-A(2OH, 1OMe, 1(C-Prenyl))-B(none)	Flavanone	Microfolione
0.053	[Flavanone]-A(2OH, 1(C-Prenyl))-B(1OMe)	Flavanone	5,7-Dihydroxy-4'-methoxy-8-C-prenylflavanone
0.053	[Flavanone]-A(1OH, 1OMe, 1(C-Prenyl))-B(1OH)	Flavanone	5,4'-Dihydroxy-7-methoxy-6-C-prenylflavanone
0.053	[Flavanone]-A(1OH, 1OMe, 1(C-Prenyl))-B(1OH)	Flavanone	Isoxanthohumol(Sophora)
0.053	[Flavanone]-A(1OH, 1OMe, 1(C-Prenyl))-B(1OH)	Flavanone	Mundulea flavanone B
0.000	[Flavonol]-A(2OH)-B(1OH, 1(C-Prenyl))	Flavonol	Isolicoflavonol
0.000	[Flavonol]-A(2OH, 1(C-Prenyl))-B(1OH)	Flavonol	6-Prenylkaempferol
0.000	[Flavonol]-A(2OH, 1(C-Prenyl))-B(1OH)	Flavonol	Noranhydroicaritin
0.000	[Flavonol]-A(3OH, 1(C-Prenyl))-B(none)	Flavonol	Platanetin
0.000	[Isoflavone]-A(2OH, 1(C-Prenyl))-B(2OH)	Isoflavone	5,7,3',4'-Tetrahydroxy-6-prenylisoflavone
0.000	[Isoflavone]-A(2OH, 1(C-Prenyl))-B(2OH)	Isoflavone	Gancaonin L
0.000	[Isoflavone]-A(2OH, 1(C-Prenyl))-B(2OH)	Isoflavone	Luteone (isoflavone)
0.000	[Isoflavone]-A(2OH, 1(C-Prenyl))-B(2OH)	Isoflavone	2,3-Dehydrokievitone
0.000	[Isoflavone]-A(2OH)-B(2OH, 1(C-Prenyl))	Isoflavone	Licoisoflavone A
0.000	[Flavone]-A(2OH, 1(C-Prenyl))-B(2OH)	Flavone	8-C-Prenylluteolin
0.000	[Flavone]-A(2OH, 1(C-Prenyl))-B(2OH)	Flavone	6-C-Prenylluteolin
0.000	[Flavone]-A(2OH, 1(C-Prenyl))-B(2OH)	Flavone	Artocarpesin
0.000	[Dihydroflavonol]-A(1OH, 1OMe, 1(C-Prenyl))-B(none)	Dihydroflavonol	Leaserone
0.000	[Flavanone]-A(2OH)-B(1OH, 1([2,3:@@]-(6,6-Dimethylpyrano)))	Flavanone	Sigmoidin C
0.000	[Flavanone]-A(2OH)-B(1OH, 1([2,3:@@]-(6,6-Dimethylpyrano)))	Flavanone	Sanggenon F
0.000	[Flavanone]-A(2OH)-B(1OH, 1([2,3:@@]-(6,6-Dimethylpyrano)))	Flavanone	Sanggenon H
0.000	[Dihydroflavonol]-A(1OH, 1([2,3:@@]-(6,6-Dimethylpyrano)))-B(1OH)	Dihydroflavonol	3,5,4'-Trihydroxy-6'',6''-dimethylpyrano[2'',3'':7,8]flavanone
0.000	[Isoflavanone]-A(2OH)-B(1OH, 1([2,3:@@]-(6,6-Dimethylpyrano)))	Isoflavanone	Licoisoflavanone
0.000	[Isoflavanone]-A(1OH, 1([2,3:@@]-(6,6-Dimethylpyrano)))-B(2OH)	Isoflavanone	Cyclokievitone
0.000	[Pterocarpan]-A(1OH, 1OMe)-B(1OH, 1(C-Prenyl))	Pterocarpan	1-Methoxyphaseollidin
0.000	[Pterocarpan]-A(1OH, 1OMe, 1(C-Prenyl))-B(1OH)	Pterocarpan	Edudiol
0.000	[2-Benzyl-2-hydroxydihydrobenzofuran (2,3-OMe)]-A(1([2,3:@@]-Furano))-B(1([@@]-Methylenedioxy))	2-Benzyl-2-hydroxydihydrobenzofuran	Castillene C
0.000	[Chalcone]-A(1OH)-B(1OMe, 1([2,3:@@]-(5-(hydroxyisopropanyl)dihydrofurano)))	Chalcone	Licoagrochalcone D
0.000	[2'-Hydroxychalcone]-A(1OH, 1OMe, 1(2-hydroxy-3-methyl-3-butenyl))-B(1OH)	2'-Hydroxychalcone	Xanthoangelol D
0.000	[2'-Hydroxychalcone]-A(1OMe, 1([2,3:@@]-(6,6-Dimethyl-5-hydroxydihydropyrano)))-B(1OH)	2'-Hydroxychalcone	Xanthoangelol H
0.000	[2'-Hydroxychalcone]-A(1OH, 1OMe, 1([2,3:@@]-(6,6-Dimethyl-5-hydroxydihydropyrano)))-B(none)	2'-Hydroxychalcone	Helichromanochalcone
0.000	[2'-Hydroxychalcone]-A(1OH, 1OMe, 1([2,3:@@]-(6,6-Dimethyl-5-hydroxydihydropyrano)))-B(none)	2'-Hydroxychalcone	2'-Methoxyhelikrausichalcone
0.000	[2'-Hydroxychalcone]-A(1OH, 1OMe, 1([2,3:@@]-(6,6-Dimethyl-5-hydroxydihydropyrano)))-B(none)	2'-Hydroxychalcone	6'',6''-Dimethyl-5''-hydroxy-4'',5''-dihydropyrano[2'',3'':2',3']-4'-hydroxy-6'-methoxychalcone
0.000	[2'-Hydroxychalcone]-A(2OH, 1([2,3:@@]-(6-Methyl-4,7-dihydrooxepino)))-B(2OH)	2'-Hydroxychalcone	3',4'-Dihydrooxepino-6'-hydroxybutein
0.000	[2'-Hydroxychalcone]-A(1OH, 1OMe, 1([2,3:@@]-(6,6-Dimethyldihydropyrano)))-B(1OH)	2'-Hydroxychalcone	Isodehydrocycloxanthohumol hydrate
0.000	[beta-Hydroxy(or Oxodihydro)chalcone]-A(2OH, 1OMe, 1(C-Prenyl))-B(none)	beta-Hydroxy(or Oxodihydro)chalcone	3'-Prenyl-2',6',beta-trihydroxy-4'-methoxychalcone
0.000	[Dihydrochalcone]-A(2OH, 1OMe, 1([2,3:@@]-(6,6-Dimethylpyrano)))-B(none)	Dihydrochalcone	Flemistrictin D
0.000	[Dihydrochalcone beta-ol (beta-OMe)]-A(1OMe, 1([2,3:@@]-Furano))-B(1([@@]-Methylenedioxy))	Dihydrochalcone beta-ol	Ponganone IX
0.000	[Flavanone]-A(1OH, 1OMe, 1(3-Hydroxy-3-methyl-1-butenyl))-B(none)	Flavanone	Tephroleocarpin A
0.000	[Flavanone]-A(2OH, 1(C-Prenyl), 1Methyl)-B(1OH)	Flavanone	5,7,4'-Trihydroxy-6-methyl-8-prenylflavanone
0.000	[Flavanone]-A(2OH, 1(C-Prenyl), 1Methyl)-B(1OH)	Flavanone	5,7,4'-Trihydroxy-8-methyl-6-prenylflavanone
0.000	[Flavanone]-A(1OH, 1([2,3:@@]-(5-Isopropenyldihydrofurano)))-B(2OH)	Flavanone	Velloeriodictyol
0.000	[Flavanone]-A(1OH, 1OMe, 1([2,3:@@]-Furano))-B(1([@@]-Methylenedioxy))	Flavanone	5-Hydroxy-6-methoxy-3',4'-methylenedioxyfurano[2'',3'':7,8]flavanone
0.000	[Flavone]-A(2OH, 1(2-hydroxy-3-methyl-3-butenyl))-B(1OH)	Flavone	Dinklagin C
0.000	[Flavone]-A(2OH, 1(2-hydroxy-3-methyl-3-butenyl))-B(1OH)	Flavone	Ephedroidin
0.000	[Flavone]-A(1OH, 1([2,3:@@]-(6,6-Dimethyl-5-hydroxydihydropyrano)))-B(1OH)	Flavone	Dinklagin B
0.000	[3-substituted Flavone (3-C-Prenyl)]-A(2OH)-B(2OH)	3-substituted Flavone	Albanin A
0.000	[Dihydroflavonol]-A(1OH, 1([2,3:@@]-(5-Isopropenyldihydrofurano)))-B(1OH)	Dihydroflavonol	Shuterol
0.000	[Dihydroflavonol]-A(1OH, 1([2,3:@@]-(5-Isopropenyldihydrofurano)))-B(1OH)	Dihydroflavonol	3,5,4'-Trihydroxy-4'',5'',dihydro-5''-isopropenylfurano[2'',3'':7,8]flavanone
0.000	[Dihydroflavonol (3-OMe)]-A(2OMe, 1([2,3:@@]-Furano))-B(none)	Dihydroflavonol	3,5,6-Trimethoxy-[2'',3'':7,8]furanoflavanone
0.000	[Flavan 3-ol]-A(1OMe, 1([2,3:@@]-(6,6-Dimethylpyrano)))-B(1OH)	Flavan 3-ol	7,8-(2,2-Dimethylpyrano)-3,4'-dihydroxy-5-methoxyflavan
0.000	[Flavan 4-ol]-A(2OMe, 1(C-Prenyl))-B(none)	Flavan 4-ol	Tephrowatsin A
0.000	[Flavan 3,4-diol]-A(1OMe, 1([2,3:@@]-(6,6-Dimethylpyrano)))-B(none)	Flavan 3,4-diol	Quercetol A
0.000	[CCS-type derivative / [2,3,4:5,4a,4]-(6-Carboxypyrano)anthocyanidin]-A(1OH)-B(2OH)	CCS-type derivative / [2,3,4:5,4a,4]-(6-Carboxypyrano)anthocyanidin	5-Carboxypyranocyanidin
0.000	[Isoflavone]-A(2OH, 1((Z)-4-hydroxyprenyl))-B(1OH)	Isoflavone	Hydroxywighteone
0.000	[Isoflavone]-A(2OH, 1((Z)-4-hydroxyprenyl))-B(1OH)	Isoflavone	Gancaonin C
0.000	[Isoflavone]-A(1OH, 1([2,3:@@]-(5-(hydroxyisopropanyl)dihydrofurano)))-B(1OH)	Isoflavone	Erythrinin C
0.000	[Isoflavone]-A(2OH)-B(1([2,3:@@]-(5-(hydroxyisopropanyl)dihydrofurano)))	Isoflavone	Lupinisoflavone C
0.000	[Isoflavone]-A(2OH)-B(2OH, 1(1,1-Dimethylallyl))	Isoflavone	Fremontin
0.000	[Isoflavanone]-A(1([2,3:@@]-Furano))-B(1OH, 1OMe, 1([@@]-Methylenedioxy))	Isoflavanone	Erosenone
0.000	[Isoflavanone]-A(1([2,3:@@]-Furano))-B(3OMe)	Isoflavanone	Nepseudin
0.000	[Isoflavanone]-A(1([2,3:@@]-Furano))-B(3OMe)	Isoflavanone	Ambonone
0.000	[Isoflavan]-A(1([2,3:@@]-(6,6-Dimethylpyrano)))-B(2OH, 1OMe)	Isoflavan	3'-Methoxyglabridin
0.000	[Isoflavan]-A(1OMe, 1([2,3:@@]-(6,6-Dimethylpyrano)))-B(2OH)	Isoflavan	Neorauflavane
0.000	[Pterocarpan-6a-ol]-A(1OH)-B(1OMe, 1(C-Prenyl))	Pterocarpan-6a-ol	Cristacarpin
0.000	[Pterocarpan-6a-ol]-A(1OMe, 1(C-Prenyl))-B(1OH)	Pterocarpan-6a-ol	Glyceollin IV
0.000	[Pterocarpan-6a-ol]-A(1([2,3:@@]-(5-(Hydroxyisopropanyl)furano)))-B(1OH)	Pterocarpan-6a-ol	Glyceofuran
0.000	[Rotenoid 12-ol]-A(1([2,3:@@]-Furano))-B(2OMe)	Rotenoid 12-ol	Elliptinol
0.000	[3-Hydroxy-2-phenylbenzofuran (3-OMe)]-A(1OH, 1(C-Prenyl))-B(1OH, 1OMe)	3-Hydroxy-2-phenylbenzofuran	Ambofuranol
0.000	[2-Phenylbenzofuran]-A(2OMe, 1(C-Prenyl))-B(2OH)	2-Phenylbenzofuran	Gancaonin I

Level: 3, プリカーサーm/z: 491.25970

Splash: splash10-0a4i-0009400000-0b373da8ec70802faceb

m/z	Int.	NL	Rel.Int.
355.18	11835	136	1000
435.11	2087	56	176
367.24	1633	124	137
476.19	1353	15	114
459.27	1321	32	111
300.19	1278	191	107
299.23	1020	192	86
427.28	831	64	70
441.29	747	50	63
461.13	705	30	59
458.25	657	33	55

FlavonoidSearch結果

Score	Symbolized Name	MSMS-Category	MSMS-Aglycone
0.080	[Flavone]-A(2OH, 2(C-Prenyl))-B(2OH, 1(C-Prenyl))	Flavone	Dorsilurin A
0.077	[Isoflavone]-A(2OH, 2(C-Prenyl))-B(2OH, 1(C-Prenyl))	Isoflavone	Euchrenone b2
0.000	[Flavone]-A(1OH, 1OMe, 1(C-Glu))-B(2OMe)	Flavone	Isoorientin 7,3',4'-trimethyl ether
0.000	[Dihydrochalcone]-A(2OH, 1OMe, 1(1-(2-Hydroxy-5-methoxycarbonylphenyl)-3-methylbut-2-enyl))-B(none)	Dihydrochalcone	Piperaduncin A
0.000	[Flavanone]-A(2OH, 1(C-Prenyl), 1(6-Ethyl-4-hydroxy-5-methyl-2-oxo-2H-pyran-3-yl))-B(none)	Flavanone	8-Prenyllepidissipyrone
0.000	[Flavanone]-A(2OH, 2(C-Prenyl))-B(1OH, 1([2,3:@@]-(6,6-Dimethylpyrano)))	Flavanone	Amorinin
0.000	[Flavanone]-A(1OH, 1(C-Prenyl), 1([2,3:@@]-(6,6-Dimethylpyrano)))-B(2OH, 1(C-Prenyl))	Flavanone	Amoridin
0.000	[Flavanone]-A(2OH, 1(C-Prenyl))-B(1OH, 1([2,3:@@]-(6-Methyl-6-(4-methyl-3-pentenyl)pyrano)))	Flavanone	Tanariflavanone B
0.000	[Flavanone]-A(2OH, 2(C-Prenyl))-B(1OH, 1([2,3:@@]-(6,6-Dimethylpyrano)))	Flavanone	Euchrenone a6
0.000	[Flavone]-A(2OH, 1(1(O-Acetyl)-C-Glu))-B(2OH)	Flavone	Isoorientin 2''-O-acetate
0.000	[Flavone]-A(2OH, 1(1(O-Acetyl)-C-Glu))-B(2OH)	Flavone	Isoorientin 6''-O-acetate
0.000	[Flavone]-A(2OH, 1(1(O-Acetyl)-C-Glu))-B(2OH)	Flavone	Orientin 2''-O-acetate
0.000	[Flavone]-A(2OH, 1(1(O-Acetyl)-C-Glu))-B(2OH)	Flavone	Orientin 6''-O-acetate
0.000	[3-substituted Flavone (3-C-Prenyl)]-A(2OH, 2(C-Prenyl))-B(2OH)	3-substituted Flavone	Artelasticin
0.000	[3-substituted Flavone (3-Geranyl)]-A(2OH, 1(C-Prenyl))-B(2OH)	3-substituted Flavone	Rubraflavone C
0.000	[3-substituted Flavone (3-Geranyl)]-A(2OH, 1(C-Prenyl))-B(2OH)	3-substituted Flavone	Artocommunol CD
0.000	[Flavone]-A(2OH, 1Farnesyl)-B(2OH)	Flavone	Moralbanone
0.000	[UBR-type derivative / 2'-Oxo, 4-hydroxy-(2,1'),(3,4)-butadiene-type 3-substituted Flavone ([2,3:4,3]-(6,6-Dimethyldihydropyrano))]-A(2([2,3:@@]-(6,6-Dimethylpyrano)))-B(1OH)	UBR-type derivative / 2'-Oxo, 4-hydroxy-(2,1'),(3,4)-butadiene-type 3-substituted Flavone	Dorsilurin E
0.000	[Isoflavone]-A(2OH, 1(1(O-Acetyl)-C-Glu))-B(2OH)	Isoflavone	Orobol 6-C-(6''-acetylglucoside)
0.000	[Isoflavone]-A(2OH, 1(1(O-Acetyl)-C-Glu))-B(2OH)	Isoflavone	Orobol 8-C-(6''-acetylglucoside)