ピーク情報

しゅんぎく葉生

pos

Peak #2529 MN MID: SE114_S060991_M90

m/z: 539.21215, RT: 38.08, 強度: 7217, ログ強度: 0.51, アダクト: [M+H]+, 共有数（同様のピークを含むサンプル数）: 6

DB検索結果: (18 names) Mallophenol B;(+)-Mallophenol B;Hyuganoside III;Bidenlignaside B;Citrusin A;Citrusin A;Tanegoside;Fibrauretinoside A;(+)-Cycloolivil 4'-O-beta-D-glucopyranoside;Borapetoside;Diosbulbinoside F;Cypelloc...

DBごとのヒット数: ALL 13 KN 10 HM 3

FlavonoidSearch最大スコア MS2: -, MS3: 0.083

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
C26H34O12	538.20503	-0.279	Mallophenol B	KNApSAcK: C00031996
C26H34O12	538.20503	-0.279	Hyuganoside III	KNApSAcK: C00031871, C00031872, C00031873
C26H34O12	538.20503	-0.279	Citrusin A	HMDB: HMDB0039230
C26H34O12	538.20503	-0.279	Bidenlignaside B	KNApSAcK: C00029827
C26H34O12	538.20503	-0.279	Citrusin A	KNApSAcK: C00054465
C26H34O12	538.20503	-0.279	Tanegoside	KNApSAcK: C00032284
C26H34O12	538.20503	-0.279	Fibrauretinoside A	KNApSAcK: C00039130, C00039212
C26H34O12	538.20503	-0.279	Borapetoside	HMDB: HMDB0249346
C26H34O12	538.20503	-0.279	(+)-Cycloolivil 4'-O-beta-D-glucopyranoside	KNApSAcK: C00034754
C26H34O12	538.20503	-0.279	Diosbulbinoside F	HMDB: HMDB0036783
C26H34O12	538.20503	-0.279	Cypellocarpin B	KNApSAcK: C00046707, C00047829, C00048373
C26H34O12	538.20503	-0.279	Briarlide J	KNApSAcK: C00042314
C26H34O12	538.20503	-0.279	Briarlide C	KNApSAcK: C00044589

MSnスペクトル情報

Level: 2, プリカーサーm/z: 539.21210

Splash: splash10-004i-0009010000-71126c755e091142787d

m/z	Int.	NL	Rel.Int.
377.15	1539	162	1000
359.22	362	180	234
521.19	235	18	152
341.16	82	198	53

Score	Symbolized Name	MSMS-Category	MSMS-Aglycone
0.000	[Dihydroflavonol]-A(2OH, 1(C-Prenyl), 1Geranyl)-B(2OH, 1OMe)	Dihydroflavonol	Kenusanone C
0.000	[Flavan]-A(1OH, 1OMe, 1(1(O-Benzoyl)-2,4,6-Trihydroxy-3-methylstyryl))-B(none)	Flavan	8-trans-[2-(6-Benzoyloxy-4-hydroxy-2-methoxy-3-methylphenyl)ethenyl]-5-methoxyflavan-7-ol

Level: 3, プリカーサーm/z: 377.10468

Splash: splash10-0a4i-0009000000-c99d10a54448771017f3

m/z	Int.	NL	Rel.Int.
359.25	494	18	1000
341.25	49	36	98

FlavonoidSearch結果

Score	Symbolized Name	MSMS-Category	MSMS-Aglycone
0.083	[Flavanone]-A(1OH, 2OMe)-B(1OH, 2OMe)	Flavanone	5,3'-Dihydroxy-6,7,4',5'-tetramethoxyflavanone
0.083	[Flavanone]-A(1OH, 3OMe)-B(1OH, 1OMe)	Flavanone	5,2'-Dihydroxy-6,7,8,6'-tetramethoxyflavanone
0.056	[Flavanone]-A(1OH, 2(C-Prenyl))-B(none)	Flavanone	Ovaliflavanone A
0.056	[2'-Hydroxychalcone]-A(2OH, 2(C-Prenyl))-B(none)	2'-Hydroxychalcone	Spinochalcone A
0.000	[Flavone]-A(2OH, 2OMe)-B(2OH, 1OMe)	Flavone	5,7,3',6'-Tetrahydroxy-6,8,2'-trimethoxyflavone
0.000	[Flavone]-A(2OH, 2OMe)-B(2OH, 1OMe)	Flavone	5,7,3',4'-Tetrahydroxy-6,8,5'-trimethoxyflavone
0.000	[Flavone]-A(2OH, 2OMe)-B(2OH, 1OMe)	Flavone	5,7,2',4'-Tetrahydroxy-6,8,5'-trimethoxyflavone
0.000	[Flavonol]-A(2OH, 2OMe)-B(1OH, 1OMe)	Flavonol	Limocitrol
0.000	[Flavonol]-A(2OH, 2OMe)-B(1OH, 1OMe)	Flavonol	3,5,7,3'-Tetrahydroxy-6,8,4'-trimethoxyflavone
0.000	[Flavonol]-A(1OH, 3OMe)-B(2OH)	Flavonol	3,5,3',4'-Tetrahydroxy-6,7,8-trimethoxyflavone
0.000	[Flavonol]-A(2OH, 1OMe)-B(1OH, 2OMe)	Flavonol	3,5,7,4'-Tetrahydroxy-6,3',5'-trimethoxyflavone
0.000	[Flavonol]-A(2OH, 1OMe)-B(1OH, 2OMe)	Flavonol	3,5,7,3'-Tetrahydroxy-6,4',5'-trimethoxyflavone
0.000	[Flavonol]-A(2OH, 1OMe)-B(1OH, 2OMe)	Flavonol	Hibiscetin 8,3',5'-trimethyl ether
0.000	[Pterocarpan]-A(1OH, 2OMe)-B(1OH, 2OMe)	Pterocarpan	2,8-Dihydroxy-3,4,9,10-tetramethoxypterocarpan
0.000	[Flavanone]-A(1OH, 1OMe, 1(2-hydroxybenzyl))-B(none)	Flavanone	5-O-Methylchamanetin
0.000	[Dihydroflavonol]-A(2OH)-B(none)-C(1(O-Benzoyl))	Dihydroflavonol	Pinobanksin 3-O-benzoate
0.000	[Dihydroflavonol]-A(2OH, 1OMe)-B(2OH)-C(1(O-Acetyl))	Dihydroflavonol	3,5,7,3',4'-Pentahydroxy-6-methoxyflavanone 3-O-acetate
0.000	[Dihydroflavonol]-A(1OH, 1OMe, 1([@@]-Methylenedioxy))-B(1OH, 1OMe)	Dihydroflavonol	Plumbaginol
0.000	[Flavonol (3-OMe)]-A(3OH)-B(1OH, 2OMe)	Flavonol	5,6,7,4'-Tetrahydroxy-3,3',5'-trimethoxyflavone
0.000	[Flavonol (3-OMe)]-A(2OH, 1OMe)-B(2OH, 1OMe)	Flavonol	5,7,3',5'-Tetrahydroxy-3,6,4'-trimethoxyflavone
0.000	[Flavonol (3-OMe)]-A(2OH, 1OMe)-B(2OH, 1OMe)	Flavonol	5,7,3',4'-Tetrahydroxy-3,6,5'-trimethoxyflavone
0.000	[Flavonol (3-OMe)]-A(2OH, 1OMe)-B(2OH, 1OMe)	Flavonol	Apuleisin
0.000	[Flavonol (3-OMe)]-A(2OH, 1OMe)-B(2OH, 1OMe)	Flavonol	5,7,4',5'-Tetrahydroxy-3,6,2'-trimethoxyflavone
0.000	[Flavonol (3-OMe)]-A(2OH, 1OMe)-B(2OH, 1OMe)	Flavonol	5,7,2',5'-Tetrahydroxy-3,6,4'-trimethoxyflavone
0.000	[Flavonol (3-OMe)]-A(2OH, 1OMe)-B(2OH, 1OMe)	Flavonol	5,7,2',4'-Tetrahydroxy-3,6,5'-trimethoxyflavone
0.000	[Flavonol (3-OMe)]-A(2OH, 1OMe)-B(2OH, 1OMe)	Flavonol	Hibiscetin 3,7,4'-trimethyl ether
0.000	[Flavonol (3-OMe)]-A(2OH, 1OMe)-B(2OH, 1OMe)	Flavonol	Hibiscetin 3,8,4'-trimethyl ether
0.000	[Flavonol (3-OMe)]-A(2OH, 1OMe)-B(2OH, 1OMe)	Flavonol	5,7,2',4'-Tetrahydroxy-3,8,5'-trimethoxyflavone
0.000	[Flavonol (3-OMe)]-A(2OH, 2OMe)-B(2OH)	Flavonol	5,7,3',4'-Tetrahydroxy-3,6,8-trimethoxyflavone
0.000	[Flavonol (3-OMe)]-A(2OH, 2OMe)-B(2OH)	Flavonol	5,6,3',4'-Tetrahydroxy-3,7,8-trimethoxyflavone
0.000	[UBR-type derivative / [2',5']-Benzoquinonyl-type Isoflavan]-A(1OH, 2OMe)-B(2OMe)	UBR-type derivative / [2',5']-Benzoquinonyl-type Isoflavan	Abruquinone C
0.000	[Dehydrorotenone]-A(1([2,3:@@]-(6,6-Dimethylpyrano)))-B(1([@@]-Methylenedioxy))	Dehydrorotenone	Dehydromillettone

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	FS3	共有数
	38.25	556.23926	17.0271	1.03	[M+NH4]+	(18 names) Mallophenol B; (+)-Mallophenol B; Hyuganoside III; Bidenlignaside B; Citrusin A; Citrusin A; Tanegoside; Fibrauretinoside A; (+)-Cycloolivil 4'-O-beta-D-glucopyranoside; Borapetoside; Diosbulbinoside F; Cypelloc...	ALL 13 KN 10 HM 3	MS2 MS3		31
2529	38.08	539.21215	0.0000	0.51	[M+H]+	(18 names) Mallophenol B; (+)-Mallophenol B; Hyuganoside III; Bidenlignaside B; Citrusin A; Citrusin A; Tanegoside; Fibrauretinoside A; (+)-Cycloolivil 4'-O-beta-D-glucopyranoside; Borapetoside; Diosbulbinoside F; Cypelloc...	ALL 13 KN 10 HM 3	MS2 MS3	0.083	6
	38.25	521.20150	-18.0107	1.59	[M-H2O+H]+	(18 names) Mallophenol B; (+)-Mallophenol B; Hyuganoside III; Bidenlignaside B; Citrusin A; Citrusin A; Tanegoside; Fibrauretinoside A; (+)-Cycloolivil 4'-O-beta-D-glucopyranoside; Borapetoside; Diosbulbinoside F; Cypelloc...	ALL 13 KN 10 HM 3	MS2 MS3	0.091	48

ピーク情報

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MSnスペクトル情報

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