ピーク情報

イネ　葉　コシヒカリ

pos

Peak #3142 MN MID: SE199_S31_M90

m/z: 373.11305, RT: 42.02, 強度: 175788, ログ強度: 1.69, アダクト: [M+H]+, 共有数（同様のピークを含むサンプル数）: 8

DB検索結果: (7 names) Deacetyl asperuloside;Deacetylasperuloside;Randioside;Dihydroferulic acid 4-O-glucuronide;Dihydroisoferulic acid 3-glucuronide;Veranisatin C;Cycloshermilamine D

DBごとのヒット数: ALL 6 KN 4 HM 2

FlavonoidSearch最大スコア MS2: 0.087, MS3: 0.158

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
C16H20O10	372.10565	0.335	Deacetyl asperuloside	KNApSAcK: C00030092
C16H20O10	372.10565	0.335	Randioside	KNApSAcK: C00010669
C16H20O10	372.10565	0.335	Dihydroferulic acid 4-O-glucuronide	HMDB: HMDB0041723
C16H20O10	372.10565	0.335	Dihydroisoferulic acid 3-glucuronide	HMDB: HMDB0240497
C16H20O10	372.10565	0.335	Veranisatin E	HMDB: HMDB0031756 KNApSAcK: C00047358
C21H16ON4S	372.10448	3.465	Cycloshermilamine D	KNApSAcK: C00047035

MSnスペクトル情報

Level: 2, プリカーサーm/z: 373.11301

Splash: splash10-0a4j-0908000000-e6645c7844a948af08be

m/z	Int.	NL	Rel.Int.
355.06	2209	18	1000
197.04	1884	176	852
178.99	727	194	329
341.18	196	32	88
337.14	174	36	78

FlavonoidSearch結果

Score	Symbolized Name	MSMS-Category	MSMS-Aglycone
0.087	[Isoflavone]-A(2OMe)-B(3OMe)	Isoflavone	6,7,3',4',5'-Pentamethoxyisoflavone
0.087	[Isoflavone]-A(2OMe)-B(3OMe)	Isoflavone	6,7,2',3',4'-Pentamethoxyisoflavone
0.087	[Isoflavone]-A(2OMe)-B(3OMe)	Isoflavone	6,7,2',4',5'-Pentamethoxyisoflavone
0.087	[Isoflavone]-A(2OMe)-B(3OMe)	Isoflavone	Robustigenin methyl ether
0.063	[Dihydroflavonol]-A(2OH, 1(C-Prenyl))-B(2OH)	Dihydroflavonol	6-Prenyltaxifolin
0.000	[Flavone]-A(2OMe)-B(3OMe)	Flavone	Prosogerin C
0.000	[Flavone]-A(2OMe)-B(3OMe)	Flavone	7,8,3',4',5'-Pentamethoxyflavone
0.000	[Flavone]-A(2OMe)-B(3OMe)	Flavone	5,6,2',3',6'-Pentamethoxyflavone
0.000	[Flavone]-A(2OMe)-B(3OMe)	Flavone	Cerosilin B
0.000	[Flavone]-A(2OMe)-B(3OMe)	Flavone	5,6,2',3',4'-Pentamethoxyflavone
0.000	[Flavone]-A(2OMe)-B(3OMe)	Flavone	Tricetin 5,7,3',4',5'-pentamethyl ether
0.000	[Flavone]-A(2OMe)-B(3OMe)	Flavone	5,7,2',3',4'-Pentamethoxyflavone
0.000	[Flavone]-A(2OMe)-B(3OMe)	Flavone	5,7,2',4',6'-Pentamethoxyflavone
0.000	[Flavone]-A(3OMe)-B(2OMe)	Flavone	Sinensetin
0.000	[Flavone]-A(3OMe)-B(2OMe)	Flavone	Isosinensetin
0.000	[Flavone]-A(4OMe)-B(1OMe)	Flavone	Tangeretin
0.000	[2'-Hydroxychalcone]-A(2OH)-B(1([2,3:@@]-(5-(p-Hydroxyphenyl)furano)))	2'-Hydroxychalcone	Lophirone E
0.000	[beta-Hydroxy(or Oxodihydro)chalcone (2-OMe)]-A(1([@@]-Methylenedioxy))-B(3OMe)	beta-Hydroxy(or Oxodihydro)chalcone	3',4'-Methylenedioxy-2,4,6,beta-tetramethoxychalcone
0.000	[Flavanone]-A(1OH)-B(1([2,3:@@]-(5-(p-Hydroxyphenyl)furano)))	Flavanone	7-Hydroxy-(5-(p-Hydroxyphenyl)furano)[2,3:4',3'])flavanone
0.000	[Flavanone]-A(2OH, 1((E)-4-Hydroxyprenyl))-B(2OH)	Flavanone	Licoleafol
0.000	[Flavanone]-A(2OH)-B(1OH, 1([2,3:@@]-(6,6-Dimethyl-5-hydroxydihydropyrano)))	Flavanone	Sigmoidin D
0.000	[3-substituted Flavone (3-(3-Methylbutyl))]-A(2OH)-B(3OH)	3-substituted Flavone	Asplenetin
0.000	[Flavonol (3-OMe)]-A(3OMe)-B(1OMe)	Flavonol	Auranetin
0.000	[Flavonol (3-OMe)]-A(2OMe)-B(2OMe)	Flavonol	3,5,7,2',6'-Pentamethoxyflavone
0.000	[Flavonol]-A(2OH, 1(3-hydroxy-3-methylbutyl))-B(1OH)	Flavonol	6-(3-hydroxy-3-methylbutyl)kaempferol
0.000	[Flavonol]-A(2OH, 1(3-hydroxy-3-methylbutyl))-B(1OH)	Flavonol	Noricaritin
0.000	[Flavonol (3-OMe)]-A(2OMe)-B(2OMe)	Flavonol	Quercetin pentamethyl ether
0.000	[Flavonol (3-OMe)]-A(1OH, 1OMe, 1Methyl)-B(2OMe)	Flavonol	2-(3,4-Dimethoxyphenyl)-5-hydroxy-3,7-dimethoxy-6-methyl-4H-1-benzopyran-4-one
0.000	[Flavonol (3-OMe)]-A(1OH, 1OMe, 2Methyl)-B(1OH, 1OMe)	Flavonol	5,4'-Dihydroxy-3,7,3'-trimethoxy-6,8-dimethylflavone
0.000	[Flavonol (3-OMe)]-A(1OH, 2OMe)-B(1([@@]-Methylenedioxy))	Flavonol	Melisimplin
0.000	[Flavonol (3-OMe)]-A(3OMe)-B(1OMe)	Flavonol	Herbacetin pentamethyl ether
0.000	[Flavonol (3-OMe)]-A(1OH, 2OMe)-B(1([@@]-Methylenedioxy))	Flavonol	7-Hydroxy-3,5,8-trimethoxy-3',4'-methylenedioxyflavone
0.000	[Flavonol (3-OMe)]-A(1OH, 2OMe)-B(1([@@]-Methylenedioxy))	Flavonol	5-Hydroxy-3,7,8-trimethoxy-3',4'-methylenedioxyflavone
0.000	[Flavonol (3-OMe)]-A(4OMe)-B(none)	Flavonol	3,5,6,7,8-Pentamethoxyflavone
0.000	[Flavan 3,4-diol]-A(1OH, 1OMe, 1(C-Prenyl))-B(1OH)	Flavan 3,4-diol	3,4,7,4'-Tetrahydroxy-5-methoxy-8-prenylflavan
0.000	[Isoflavone]-A(2OH, 1(3-hydroxy-3-methylbutyl))-B(2OH)	Isoflavone	2,3-Dehydrokievitone hydrate
0.000	[Isoflavanone]-A(2OH, 1((Z)-4-hydroxyprenyl))-B(2OH)	Isoflavanone	Kievitol
0.000	[6-Hydroxydehydrorotenone]-A(3OH)-B(1OH)-C(1(O-Acetyl))	6-Hydroxydehydrorotenone	3,6,9,10,11-Pentahydroxydehydrorotenone 6-O-acetate
0.000	[6-Hydroxydehydrorotenone]-A(1OH, 1OMe)-B(2OMe)	6-Hydroxydehydrorotenone	Stemonal

Level: 3, プリカーサーm/z: 197.02576

Splash: splash10-004i-0900000000-0430bf4b8ccc00a5ffda

m/z	Int.	NL	Rel.Int.
179.09	200	18	1000

Level: 3, プリカーサーm/z: 355.05859

Splash: splash10-000i-0239000000-e38226d79e2dc32bf266

m/z	Int.	NL	Rel.Int.
337.32	135	18	1000
179.00	21	176	152
251.12	16	104	115
323.26	14	32	99
226.25	13	129	99
196.92	13	158	94
221.07	12	134	89
327.14	10	28	72
338.25	10	17	71
295.15	9	60	63
104.84	8	250	62
203.06	8	152	58

FlavonoidSearch結果

Score	Symbolized Name	MSMS-Category	MSMS-Aglycone
0.158	[Isoflavanone]-A(2OH)-B(1OH, 1([2,3:@@]-(6,6-Dimethylpyrano)))	Isoflavanone	Licoisoflavanone
0.133	[Flavonol]-A(3OH, 1(C-Prenyl))-B(none)	Flavonol	Platanetin
0.125	[Flavanone]-A(2OH, 1OMe, 1(C-Prenyl))-B(none)	Flavanone	Agrandol
0.125	[Flavanone]-A(2OH, 1OMe, 1(C-Prenyl))-B(none)	Flavanone	Microfolione
0.120	[Flavone]-A(2OH, 1(C-Prenyl))-B(2OH)	Flavone	8-C-Prenylluteolin
0.120	[Flavone]-A(2OH, 1(C-Prenyl))-B(2OH)	Flavone	6-C-Prenylluteolin
0.120	[Flavone]-A(2OH, 1(C-Prenyl))-B(2OH)	Flavone	Artocarpesin
0.120	[Chalcone]-A(2OH)-B(1OH, 1OMe, 1(C-Prenyl))	Chalcone	Licoagrochalcone C
0.120	[Chalcone]-A(1OH, 1(C-Prenyl))-B(2OH, 1OMe)	Chalcone	Licochalcone D
0.115	[Isoflavone]-A(2OH, 1(C-Prenyl))-B(2OH)	Isoflavone	5,7,3',4'-Tetrahydroxy-6-prenylisoflavone
0.115	[Isoflavone]-A(2OH, 1(C-Prenyl))-B(2OH)	Isoflavone	Gancaonin L
0.115	[Isoflavone]-A(2OH, 1(C-Prenyl))-B(2OH)	Isoflavone	Luteone (isoflavone)
0.115	[Isoflavone]-A(2OH, 1(C-Prenyl))-B(2OH)	Isoflavone	2,3-Dehydrokievitone
0.100	[Isoflavanone]-A(1OH, 1([2,3:@@]-(6,6-Dimethylpyrano)))-B(2OH)	Isoflavanone	Cyclokievitone
0.095	[Pterocarpan]-A(1OH, 1OMe, 1(C-Prenyl))-B(1OH)	Pterocarpan	Edudiol
0.095	[Pterocarpan]-A(1OH, 1OMe)-B(1OH, 1(C-Prenyl))	Pterocarpan	1-Methoxyphaseollidin
0.094	[Flavonol]-A(2OH, 1(C-Prenyl))-B(1OH)	Flavonol	6-Prenylkaempferol
0.094	[Flavonol]-A(2OH, 1(C-Prenyl))-B(1OH)	Flavonol	Noranhydroicaritin
0.080	[Flavanone]-A(2OH, 1(C-Prenyl))-B(1OMe)	Flavanone	5,7-Dihydroxy-4'-methoxy-8-C-prenylflavanone
0.074	[Isoflavone]-A(2OH)-B(2OH, 1(C-Prenyl))	Isoflavone	Licoisoflavone A
0.061	[Flavonol]-A(2OH)-B(1OH, 1(C-Prenyl))	Flavonol	Isolicoflavonol
0.053	[Dihydroflavonol]-A(1OH, 1([2,3:@@]-(6,6-Dimethylpyrano)))-B(1OH)	Dihydroflavonol	3,5,4'-Trihydroxy-6'',6''-dimethylpyrano[2'',3'':7,8]flavanone
0.048	[Flavanone]-A(2OH)-B(1OH, 1([2,3:@@]-(6,6-Dimethylpyrano)))	Flavanone	Sigmoidin C
0.048	[Flavanone]-A(2OH)-B(1OH, 1([2,3:@@]-(6,6-Dimethylpyrano)))	Flavanone	Sanggenon F
0.048	[Flavanone]-A(2OH)-B(1OH, 1([2,3:@@]-(6,6-Dimethylpyrano)))	Flavanone	Sanggenon H
0.043	[Dihydroflavonol]-A(1OH, 1OMe, 1(C-Prenyl))-B(none)	Dihydroflavonol	Leaserone
0.040	[2'-Hydroxychalcone]-A(2OH, 1OMe, 1(C-Prenyl))-B(1OH)	2'-Hydroxychalcone	Xanthohumol
0.040	[2'-Hydroxychalcone]-A(2OH, 1OMe, 1(C-Prenyl))-B(1OH)	2'-Hydroxychalcone	Xanthogalenol
0.038	[Flavanone]-A(1OH, 1OMe, 1(C-Prenyl))-B(1OH)	Flavanone	5,4'-Dihydroxy-7-methoxy-6-C-prenylflavanone
0.038	[Flavanone]-A(1OH, 1OMe, 1(C-Prenyl))-B(1OH)	Flavanone	Isoxanthohumol(Sophora)
0.038	[Flavanone]-A(1OH, 1OMe, 1(C-Prenyl))-B(1OH)	Flavanone	Mundulea flavanone B
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

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
3142	42.02	373.11305	0.0000	1.69	[M+H]+	(7 names) Deacetyl asperuloside; Deacetylasperuloside; Randioside; Dihydroferulic acid 4-O-glucuronide; Dihydroisoferulic acid 3-glucuronide; Veranisatin C; Cycloshermilamine D	ALL 6 KN 4 HM 2	MS2 MS3 x 2	0.087	0.158	8
	41.97	355.10271	-18.0103	1.03	[M-H2O+H]+	(7 names) Deacetyl asperuloside; Deacetylasperuloside; Randioside; Dihydroferulic acid 4-O-glucuronide; Dihydroisoferulic acid 3-glucuronide; Veranisatin C; Cycloshermilamine D	ALL 6 KN 4 HM 2	MS2	0.133		5

ピーク情報

DB検索結果

MSnスペクトル情報

FlavonoidSearch結果

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