ピーク情報

（くり類）日本ぐり生

pos

Peak #3433 MN MID: SE123_S050101_M90

m/z: 511.25376, RT: 45.37, 強度: 996418, ログ強度: 2.58, アダクト: [M-H2O+H]+, 共有数（同様のピークを含むサンプル数）: 11

DB検索結果: (7 names) Parvifoliside;Taxuyunnanine N;(-)-Taxuyunnanine N;Taxuyunnanine Q;Tinosinenside;(-)-Tinosinenside;Coccinin

DBごとのヒット数: ALL 5 KN 5

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
C26H40O11	528.25706	-0.029	Parvifoliside	KNApSAcK: C00041078
C26H40O11	528.25706	-0.029	Taxuyunnanine N	KNApSAcK: C00046949
C26H40O11	528.25706	-0.029	Taxuyunnanine Q	KNApSAcK: C00037892
C26H40O11	528.25706	-0.029	Coccinin	HMDB: HMDB0038546 KNApSAcK: C00055504
C26H40O11	528.25706	-0.029	Tinosinenside	KNApSAcK: C00040489

MSnスペクトル情報

Level: 2, プリカーサーm/z: 511.25354

Splash: splash10-001j-0019100000-f7fa152fdb5d44fdb2e7

m/z	Int.	NL	Rel.Int.
331.21	44915	180	1000
349.26	29295	162	652
313.16	17604	198	391
493.35	15269	18	339
285.16	12259	226	272
267.18	5103	244	113

Level: 3, プリカーサーm/z: 349.26154

Splash: splash10-001i-0049000000-fbb20d4068611b0d362c

m/z	Int.	NL	Rel.Int.
331.16	6495	18	1000
285.13	2215	64	341
313.18	1625	36	250
261.19	848	88	130
303.23	841	46	129
267.30	615	82	94
295.34	332	54	51

Score	Symbolized Name	MSMS-Category	MSMS-Aglycone
0.222	[Dihydroflavonol]-A(2OH, 1OMe)-B(1OH, 1OMe)	Dihydroflavonol	3,5,7,3'-Tetrahydroxy-8,4'-dimethoxyflavanone
0.222	[Dihydroflavonol]-A(1OH, 2OMe)-B(2OH)	Dihydroflavonol	Dihydrogossypetin 7,8-dimethyl ether
0.167	[Dihydroflavonol]-A(2OH)-B(1OH, 2OMe)	Dihydroflavonol	Dihydrosyringetin
0.105	[Flavonol]-A(3OH)-B(2OH, 1OMe)	Flavonol	3,6,7,8,3',4'-Hexahydroxy-5'-methoxyflavone
0.105	[Flavonol]-A(2OH, 1OMe)-B(3OH)	Flavonol	Hibiscetin 8-methyl ether
0.105	[Flavonol]-A(4OH)-B(1OH, 1OMe)	Flavonol	3,5,6,7,8,4'-Hexahydroxy-3'-methoxyflavone
0.091	[Flavan 3-ol]-A(1OH, 1OMe)-B(1OH, 2OMe)	Flavan 3-ol	Gallocatechin 7,3',5'-trimethyl ether
0.000	[Coumestan]-A(1OMe)-B(1([2,3:@@]-(6,6-Dimethylpyrano)))	Coumestan	Tuberostan
0.000	[Isoflavan]-A(2OH, 1OMe)-B(1OH, 2OMe)	Isoflavan	Machaerol C
0.000	[Flavone]-A(1([@@]-Methylenedioxy))-B(1([2,3:@@]-(6,6-Dimethylpyrano)))	Flavone	6'',6''-Dimethyl-3',4'-methylenedioxypyrano[2'',3'':7,8]flavone
0.000	[Flavone]-A(2OMe, 1(3-Methylbutadienyl))-B(none)	Flavone	trans-Anhydrotephrostachin
0.000	[Dihydroflavonol]-A(2OH, 2Methyl)-B(3OH)	Dihydroflavonol	3,5,7,3',4',5'-Hexahydroxy-6,8-dimethylflavanone
0.000	[4-substituted Flavan 3-ol (4-Carboxymethyl)]-A(2OH)-B(2OH)	4-substituted Flavan 3-ol	Dryopteric acid
0.000	[Isoflavone]-A(1([@@]-Methylenedioxy))-B(1([2,3:@@]-(6,6-Dimethylpyrano)))	Isoflavone	Calopogoniumisoflavone B
0.000	[Pterocarpan]-A(1([2,3:@@]-Furano))-B(1OH, 1(C-Prenyl))	Pterocarpan	Erybraedin E

Level: 3, プリカーサーm/z: 331.16852

Splash: splash10-01p9-0094000000-3d66de6f5fe8a33ee673

m/z	Int.	NL	Rel.Int.
285.24	4832	46	1000
313.17	4138	18	856
303.28	2464	28	509
267.25	2061	64	426
257.23	1162	74	240
295.29	983	36	203
239.15	747	92	154
249.32	575	82	119
195.11	541	136	111
261.10	491	70	101
159.15	363	172	75
241.10	324	90	67
229.19	304	102	62
269.12	260	62	53
199.02	254	132	52
220.86	248	110	51
287.15	247	44	51

FlavonoidSearch結果

Score	Symbolized Name	MSMS-Category	MSMS-Aglycone
0.217	[Chalcone]-A(1OH, 4OMe)-B(none)	Chalcone	Isodidymocarpin
0.194	[Isoflavone]-A(2OH, 1OMe)-B(1OH, 1OMe)	Isoflavone	Podospicatin
0.194	[Isoflavone]-A(2OH, 1OMe)-B(1OH, 1OMe)	Isoflavone	Iristectorigenin B
0.194	[Isoflavone]-A(2OH, 1OMe)-B(1OH, 1OMe)	Isoflavone	Iristectorigenin A
0.194	[Isoflavone]-A(2OH, 1OMe)-B(1OH, 1OMe)	Isoflavone	5,7,4'-Trihydroxy-8,3'-dimethoxyisoflavone
0.194	[Isoflavone]-A(2OH, 1OMe)-B(1OH, 1OMe)	Isoflavone	5,7,3'-Trihydroxy-8,4'-dimethoxyisoflavone
0.194	[Isoflavone]-A(1OH, 2OMe)-B(2OH)	Isoflavone	6-Methoxyorobol 7-methyl ether
0.194	[Isoflavone]-A(2OH)-B(1OH, 2OMe)	Isoflavone	2'-Hydroxy-5'-methoxybiochanin A
0.130	[Isoflavanone]-A(1OH)-B(3OMe)	Isoflavanone	3'-O-Methylviolanone
0.130	[Isoflavanone]-A(1OMe)-B(1OH, 2OMe)	Isoflavanone	3'-Methoxyisosativanone
0.100	[Flavonol]-A(2OH, 2OMe)-B(none)	Flavonol	3,5,7-Trihydroxy-6,8-dimethoxyflavone
0.100	[Flavonol]-A(2OH, 1OMe)-B(1OMe)	Flavonol	Betuletol
0.100	[Flavonol]-A(2OH, 1OMe)-B(1OMe)	Flavonol	3,5,6-Trihydroxy-7,4'-dimethoxyflavone
0.100	[Flavonol]-A(2OH, 1OMe)-B(1OMe)	Flavonol	Herbacetin 7,4'-dimethyl ether
0.100	[Flavonol]-A(2OH, 1OMe)-B(1OMe)	Flavonol	Prudomestin
0.091	[Dihydroflavonol]-A(2OMe)-B(1OMe)	Dihydroflavonol	3-Hydroxy-5,7,4'-trimethoxyflavanone
0.067	[Anthocyanidin]-A(1OH, 1OMe)-B(2OH, 1OMe)	Anthocyanidin	Europinidin
0.067	[Anthocyanidin]-A(2OH)-B(1OH, 2OMe)	Anthocyanidin	Malvidin
0.065	[Flavonol]-A(1OH, 2OMe)-B(1OH)	Flavonol	6-Hydroxykaempferol 5,6-dimethyl ether
0.065	[Flavonol]-A(1OH, 2OMe)-B(1OH)	Flavonol	Herbacetin 7,8-dimethyl ether
0.065	[Flavonol]-A(1OH)-B(1OH, 2OMe)	Flavonol	Laurentinol
0.065	[Flavonol]-A(1OH, 1OMe)-B(1OH, 1OMe)	Flavonol	3,5,2'-Trihydroxy-7,5'-dimethoxyflavone
0.065	[Flavonol]-A(1OH, 1OMe)-B(1OH, 1OMe)	Flavonol	Quercetin 5,3'-dimethyl ether
0.065	[Flavonol]-A(1OH, 1OMe)-B(1OH, 1OMe)	Flavonol	Quercetin 5,4'-dimethyl ether
0.065	[Flavonol]-A(1OH, 1OMe)-B(1OH, 1OMe)	Flavonol	Rhamnazin
0.065	[Flavonol]-A(1OH, 1OMe)-B(1OH, 1OMe)	Flavonol	Ombuin
0.065	[Flavonol]-A(2OH)-B(2OMe)	Flavonol	Morelosin
0.065	[Flavonol]-A(2OH)-B(2OMe)	Flavonol	Dillenetin
0.045	[Dihydroflavonol (3-OMe)]-A(1OH, 1OMe)-B(1OMe)	Dihydroflavonol	7-Hydroxy-3,5,4'-trimethoxyflavanone
0.045	[Pterocarpan]-A(1OH, 2OMe)-B(1OMe)	Pterocarpan	4-Hydroxy-2,3,9-trimethoxypterocarpan
0.045	[Pterocarpan]-A(1OH, 1OMe)-B(2OMe)	Pterocarpan	Melilotocarpan C
0.045	[Pterocarpan]-A(1OH)-B(3OMe)	Pterocarpan	9-O-Methylphilenopteran
0.045	[Pterocarpan]-A(2OMe)-B(1OH, 1OMe)	Pterocarpan	Odoricarpan
0.040	[2'-Hydroxychalcone]-A(1OH, 3OMe)-B(1OH)	2'-Hydroxychalcone	4,6'-Dihydroxy-2',3',4'-trimethoxychalcone
0.040	[2'-Hydroxychalcone]-A(1OH, 3OMe)-B(1OH)	2'-Hydroxychalcone	4,2'-Dihydroxy-3',4',6'-trimethoxychalcone
0.040	[2'-Hydroxychalcone]-A(2OH, 2OMe)-B(1OMe)	2'-Hydroxychalcone	2',4'-Dihydroxy-2,3',6'-trimethoxychalcone
0.040	[2'-Hydroxychalcone]-A(2OH, 1OMe)-B(2OMe)	2'-Hydroxychalcone	Okanin 3,4,3'-trimethyl ether
0.040	[2'-Hydroxychalcone]-A(2OH, 1OMe)-B(2OMe)	2'-Hydroxychalcone	Cerasin
0.040	[2'-Hydroxychalcone]-A(1OH, 2OMe)-B(1OH, 1OMe)	2'-Hydroxychalcone	4,2'-Dihydroxy-3,4',6'-trimethoxychalcone
0.040	[2'-Hydroxychalcone]-A(1OH, 2OMe)-B(1OH, 1OMe)	2'-Hydroxychalcone	3,2'-Dihydroxy-4,4',6'-trimethoxychalcone
0.040	[2'-Hydroxychalcone]-A(2OH, 3OMe)-B(none)	2'-Hydroxychalcone	Pedicin
0.037	[Flavanone]-A(1OH, 3OMe)-B(none)	Flavanone	Isopedicin
0.037	[Flavanone]-A(1OH, 3OMe)-B(none)	Flavanone	5-Hydroxy-6,7,8-trimethoxyflavanone
0.037	[Flavanone]-A(1OH, 3OMe)-B(none)	Flavanone	Kwangsienin A
0.037	[Flavanone]-A(2OMe)-B(1OH, 1OMe)	Flavanone	4'-Hydroxy-5,7,2'-trimethoxyflavanone
0.037	[Flavanone]-A(3OMe)-B(1OH)	Flavanone	4'-Hydroxy-5,6,7-trimethoxyflavanone
0.037	[Flavanone]-A(1OH, 2OMe)-B(1OMe)	Flavanone	5-Hydroxy-6,7,4'-trimethoxyflavanone
0.037	[Flavanone]-A(1OH, 2OMe)-B(1OMe)	Flavanone	7-Hydroxy-5,8,2'-trimethoxyflavanone
0.037	[Flavanone]-A(1OH, 2OMe)-B(1OMe)	Flavanone	5-Hydroxy-7,8,4'-trimethoxyflavanone
0.037	[Flavanone]-A(1OH, 1OMe)-B(2OMe)	Flavanone	5-Hydroxy-7,2',3'-trimethoxyflavanone
0.037	[Flavanone]-A(1OH, 1OMe)-B(2OMe)	Flavanone	Eriodictyol 7,3',4'-trimethyl ether
0.037	[Flavanone]-A(1OH, 1OMe)-B(2OMe)	Flavanone	Cerasinone
0.000	[Flavone]-A(2OH)-B(1OH, 2OMe)	Flavone	6,7,4'-Trihydroxy-3',5'-dimethoxyflavone
0.000	[Flavone]-A(1OH, 1OMe)-B(2OH, 1OMe)	Flavone	5,4',5'-Trihydroxy-6,2'-dimethoxyflavone
0.000	[Flavone]-A(2OH)-B(1OH, 2OMe)	Flavone	Apometzgerin
0.000	[Flavone]-A(2OH)-B(1OH, 2OMe)	Flavone	Tricin
0.000	[Flavone]-A(2OMe)-B(3OH)	Flavone	Isoetin 5,7-dimethyl ether
0.000	[Flavone]-A(1OH, 2OMe)-B(2OH)	Flavone	5,2',6'-Trihydroxy-6,7-dimethoxyflavone
0.000	[Flavone]-A(1OH, 2OMe)-B(2OH)	Flavone	6-Hydroxyluteolin 5,6-dimethyl ether
0.000	[Flavone]-A(2OH, 1OMe)-B(1OH, 1OMe)	Flavone	Jaceosidin
0.000	[Flavone]-A(2OH, 1OMe)-B(1OH, 1OMe)	Flavone	Desmethoxycentaureidin
0.000	[Flavone]-A(1OH, 2OMe)-B(2OH)	Flavone	Cirsiliol
0.000	[Flavone]-A(2OH, 1OMe)-B(1OH, 1OMe)	Flavone	6-Hydroxyluteolin 7,3'-dimethyl ether
0.000	[Flavone]-A(2OH, 1OMe)-B(1OH, 1OMe)	Flavone	Nuchensin
0.000	[Flavone]-A(2OH, 1OMe)-B(1OH, 1OMe)	Flavone	Tamaridone
0.000	[Flavone]-A(1OH, 2OMe)-B(2OH)	Flavone	5,2',3'-Trihydroxy-7,8-dimethoxyflavone
0.000	[Flavone]-A(1OH, 2OMe)-B(2OH)	Flavone	Rehderianin I
0.000	[Flavone]-A(1OH, 2OMe)-B(2OH)	Flavone	Viscidulin II
0.000	[Flavone]-A(2OH, 1OMe)-B(1OH, 1OMe)	Flavone	5,7,2'-Trihydroxy-8,6'-dimethoxyflavone
0.000	[Flavone]-A(2OH, 1OMe)-B(1OH, 1OMe)	Flavone	Hypolaetin 7,3'-dimethyl ether
0.000	[Flavone]-A(2OH, 1OMe)-B(1OH, 1OMe)	Flavone	Hypolaetin 8,3'-dimethyl ether
0.000	[Flavone]-A(2OH, 2OMe)-B(1OH)	Flavone	5,8,2'-Trihydroxy-6,7-dimethoxyflavone
0.000	[Flavone]-A(2OH, 2OMe)-B(1OH)	Flavone	5,7,2'-trihydroxy-6,8-dimethoxyflavone
0.000	[Flavone]-A(2OH, 2OMe)-B(1OH)	Flavone	Isothymusin
0.000	[Flavone]-A(2OH, 2OMe)-B(1OH)	Flavone	Desmethoxysudachitin
0.000	[Flavone]-A(3OH, 1OMe)-B(1OMe)	Flavone	5,6,8-Trihydroxy-7,4'-dimethoxyflavone
0.000	[Flavone]-A(2OH, 2OMe)-B(1OH)	Flavone	Thymusin
0.000	[Flavone]-A(3OH, 1OMe)-B(1OMe)	Flavone	5,6,7-Trihydroxy-8,4'-dimethoxyflavone
0.000	[Dihydrochalcone beta-ol]-A(2OMe, 1([@@]-Methylenedioxy))-B(none)	Dihydrochalcone beta-ol	beta-Hydroxy-2',6'-dimethoxy-3',4'-methylenedioxydihydrochalcone
0.000	[Flavanone]-A(2OH, 2Methyl)-B(1OH, 1OMe)	Flavanone	5,7,4'-Trihydroxy-3'-methoxy-6,8-di-C-methylflavanone
0.000	[Flavanone]-A(2OH, 2Methyl)-B(1OH, 1OMe)	Flavanone	2'-Hydroxymatteucinol
0.000	[UBR-type derivative / [2',5']-Benzoquinonyl-type Flavanone]-A(1OH, 1OMe)-B(1OMe)	UBR-type derivative / [2',5']-Benzoquinonyl-type Flavanone	Remerin
0.000	[Dihydroflavonol]-A(2OH)-B(1OH)-C(1(O-Acetyl))	Dihydroflavonol	Aromadendrin 3-O-acetate
0.000	[CCS-type derivative / [3,2']-Epoxymethanodihydroflavanone]-A(1OH, 1OMe)-B(2OH)	CCS-type derivative / [3,2']-Epoxymethanodihydroflavanone	5-Methoxypeltogynone
0.000	[CCS-type derivative / [3,2']-Epoxymethanodihydroflavanone]-A(1OH, 1OMe)-B(2OH)	CCS-type derivative / [3,2']-Epoxymethanodihydroflavanone	5-Methoxymopanone
0.000	[Flavonol (3-OMe)]-A(1OH, 1OMe)-B(2OH)	Flavonol	7,3',4'-Trihydroxy-3,8-dimethoxyflavone
0.000	[Flavonol (3-OMe)]-A(2OH)-B(1OH, 1OMe)	Flavonol	7,8,4'-Trihydroxy-3,3'-dimethoxyflavone
0.000	[Flavonol (3-OMe)]-A(2OH)-B(1OH, 1OMe)	Flavonol	Quercetin 3,3'-dimethyl ether
0.000	[Flavonol (3-OMe)]-A(2OH)-B(1OH, 1OMe)	Flavonol	Quercetin 3,4'-dimethyl ether
0.000	[Flavonol (3-OMe)]-A(1OH, 1OMe)-B(2OH)	Flavonol	Caryatin
0.000	[Flavonol (3-OMe)]-A(1OH, 1OMe)-B(2OH)	Flavonol	Quercetin 3,7-dimethyl ether
0.000	[Flavonol (3-OMe)]-A(2OH, 1Methyl)-B(2OH)	Flavonol	6-C-Methylquercetin 3-methyl ether
0.000	[Flavonol (3-OMe)]-A(2OH, 1Methyl)-B(2OH)	Flavonol	8-C-Methylquercetin 3-methyl ether
0.000	[Flavonol (3-OMe)]-A(3OH)-B(1OMe)	Flavonol	6-Hydroxykaempferol 3,4'-dimethyl ether
0.000	[Flavonol (3-OMe)]-A(2OH, 1OMe)-B(1OH)	Flavonol	6-Methoxykaempferol 3-methyl ether
0.000	[Flavonol (3-OMe)]-A(2OH, 1OMe)-B(1OH)	Flavonol	6-Hydroxykaempferol 3,7-dimethyl ether
0.000	[Flavonol (3-OMe)]-A(3OH)-B(1OMe)	Flavonol	5,7,8-Trihydroxy-3,4'-dimethoxyflavone
0.000	[Flavonol (3-OMe)]-A(2OH, 1OMe)-B(1OH)	Flavonol	3,7-Dimethylherbacetin
0.000	[Flavonol (3-OMe)]-A(2OH, 1OMe)-B(1OH)	Flavonol	Herbacetin 3,8-dimethyl ether
0.000	[Flavonol (3-OMe)]-A(3OH, 1OMe)-B(none)	Flavonol	5,7,8-Trihydroxy-3,6-dimethoxyflavone
0.000	[Flavan 3-ol]-A(2OMe)-B(1([@@]-Methylenedioxy))	Flavan 3-ol	3',4'-Methylenedioxy catechin 5,7-dimethyl ether
0.000	[CCS-type derivative / [2,3,4:5,4a,4]-(6-oxodihydropyrano)-Flavan 3-ol]-A(1OH)-B(2OH)	CCS-type derivative / [2,3,4:5,4a,4]-(6-oxodihydropyrano)-Flavan 3-ol	Dryopterin
0.000	[CCS-type derivative / [3,2']-Epoxydimethylmethanoflavan]-A(2OH)-B(2OH)	CCS-type derivative / [3,2']-Epoxydimethylmethanoflavan	8-Hydroxy-5,5-dimethylpeltogynan
0.000	[Flavan 4-ol (4-OMe)]-A(2OH, 2Methyl)-B(1OMe)	Flavan 4-ol	5,7-Dihydroxy-4,4'-dimethoxy-6,8-dimethylflavan
0.000	[Pterocarpan]-A(2OH, 1OMe)-B(1([@@]-Methylenedioxy))	Pterocarpan	Trifolian
0.000	[Pterocarpan-6a-ol]-A(1OH, 1OMe)-B(1([@@]-Methylenedioxy))	Pterocarpan-6a-ol	Hildecarpin
0.000	[Pterocarpan-6a-ol]-A(1OH, 1OMe)-B(1([@@]-Methylenedioxy))	Pterocarpan-6a-ol	Tephrocarpin
0.000	[12a-Hydroxyrotenone]-A(1OH, 1OMe)-B(1OH)	12a-Hydroxyrotenone	4,11,12a-Trihydroxy-9-methoxyrotenone
0.000	[4-phenylcoumarin]-A(1OH, 2OMe)-B(2OH)	4-phenylcoumarin	8,3',4'-Trihydroxy-5,7-dimethoxy-4-phenylcoumarin

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
	45.40	534.27019	23.0164	0.74	[M+ACN-2(H2O)+H]+	(7 names) Parvifoliside; Taxuyunnanine N; (-)-Taxuyunnanine N; Taxuyunnanine Q; Tinosinenside; (-)-Tinosinenside; Coccinin	ALL 5 KN 5				2
	45.35	529.26440	18.0106	2.25	[M+H]+	(7 names) Parvifoliside; Taxuyunnanine N; (-)-Taxuyunnanine N; Taxuyunnanine Q; Tinosinenside; (-)-Tinosinenside; Coccinin	ALL 5 KN 5	MS2 MS3 x 2		0.150	10
3433	45.37	511.25376	0.0000	2.58	[M-H2O+H]+	(7 names) Parvifoliside; Taxuyunnanine N; (-)-Taxuyunnanine N; Taxuyunnanine Q; Tinosinenside; (-)-Tinosinenside; Coccinin	ALL 5 KN 5	MS2 MS3 x 2		0.167	11
	45.36	493.24342	-18.0103	1.84	[M-2(H2O)+H]+	(7 names) Parvifoliside; Taxuyunnanine N; (-)-Taxuyunnanine N; Taxuyunnanine Q; Tinosinenside; (-)-Tinosinenside; Coccinin	ALL 5 KN 5	MS2 MS3 x 2	0.043	0.150	4
	45.35	475.23299	-36.0208	0.63	[M-3(H2O)+H]+	(7 names) Parvifoliside; Taxuyunnanine N; (-)-Taxuyunnanine N; Taxuyunnanine Q; Tinosinenside; (-)-Tinosinenside; Coccinin	ALL 5 KN 5				2

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MSnスペクトル情報

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