ピーク情報

トマト Micro-Tom 成熟果実の果皮

pos

Peak #10154 MN MID: SE203_S11_M90

m/z: 455.24026, RT: 83.45, 強度: 4881, ログ強度: 0.12, アダクト: [M+Na]+, 共有数（同様のピークを含むサンプル数）: 2

DB検索結果: (28 names) Vibsanin G;(+)-Vibsanin G;Boletinin J;Wortmannilactone B;(-)-Wortmannilactone B;Vibsanol B;(+)-Vibsanol B;L 669262;Colupdox a;Erinacine A;14R*,15-Epoxyvibsanin C;(+)-(14R,15)-Epoxyvibsanin;Hydrocortis...

DBごとのヒット数: ALL 21 KN 14 HM 6 LM 1

FlavonoidSearch最大スコア MS2: -, MS3: 0.167

DB検索結果

ppm

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
C25H36O6	432.25119	-0.353	Vibsanin G	KNApSAcK: C00043213, C00043997
C25H36O6	432.25119	-0.353	Boletinin J	KNApSAcK: C00054222
C25H36O6	432.25119	-0.353	Wortmannilactone B	KNApSAcK: C00040663
C25H36O6	432.25119	-0.353	Vibsanol B	KNApSAcK: C00045436
C25H36O6	432.25119	-0.353	L 669262	KNApSAcK: C00017080
C25H36O6	432.25119	-0.353	Colupdox a	HMDB: HMDB0039597
C25H36O6	432.25119	-0.353	Erinacine A	HMDB: HMDB0040291
C25H36O6	432.25119	-0.353	Hydrocortisone 17-butyrate	HMDB: HMDB0253243
C25H36O6	432.25119	-0.353	14R*,15-Epoxyvibsanin C	KNApSAcK: C00032604
C25H36O6	432.25119	-0.353	Vibsanol A	KNApSAcK: C00045435
C25H36O6	432.25119	-0.353	3-Hydroxyvibsanin E	KNApSAcK: C00036551
C25H36O6	432.25119	-0.353	Wortmannilactone D	KNApSAcK: C00040665
C25H36O6	432.25119	-0.353	14-Acetyl-3,19-isopropylideneandrographolide	KNApSAcK: C00034369
C25H36O6	432.25119	-0.353	Rastevione	KNApSAcK: C00021326, C00021327
C25H36O6	432.25119	-0.353	Erinacine B	HMDB: HMDB0040390
C25H36O6	432.25119	-0.353	Vibsanin L	KNApSAcK: C00033483
C25H36O6	432.25119	-0.353	Espinosanolide 2-methylbutyrate	KNApSAcK: C00022398
C25H36O6	432.25119	-0.353	3-Angeloyloxy-2,18-dihydroxy-8(17),13-labdadien-15,16-olide	KNApSAcK: C00023361
C25H36O6	432.25119	-0.353	16-(Acetyloxy)-3,14-dihydroxycard-20(22)-enolide	HMDB: HMDB0255934
C25H36O6	432.25119	-0.353	Erinacine E	HMDB: HMDB0029656
C25H36O6	432.25119	-0.353	2R-(2R-(17-methyl-9E-octadecen-5,7-diynoyloxy)propanoyloxy)propanoic acid	LipidMAPS: LMFA07090167

MSnスペクトル情報

Level: 2, プリカーサーm/z: 455.24014

Splash: splash10-0006-0090000000-a274860c7eded3d229af

m/z	Int.	NL	Rel.Int.
291.23	4222	164	1000

Symbolized Name	MSMS-Category	MSMS-Aglycone
[Flavone]-A(2OMe, 1([2,3:@@]-(6,6-Dimethylpyrano)))-B(3OMe)	Flavone	7,8,3',4',5'-Pentamethoxy-6'',6''-dimethylpyrano[2'',3'':5,6]flavone
[Flavanone]-A(2OH, 1(5-Hydroxy-2-isopropenyl-5-methyl-3-hexenyl))-B(1OH, 1OMe)	Flavanone	Leachianone D
[3-substituted Flavone (3-(3-Hydroxy-3-methylbutyl))]-A(1OH, 1([2,3:@@]-(6,6-Dimethylpyrano)))-B(3OH)	3-substituted Flavone	5,2',4',5'-Tetrahydroxy-3-(3-hydroxy-3-methylbutyl)-6'',6''-dimethylpyrano[2'',3'':7,8]flavone
[Dihydroflavonol]-A(2OH, 1Geranyl)-B(1OH, 1OMe)	Dihydroflavonol	Diplacol 4'-methylether
[Dihydroflavonol]-A(1OH, 1OMe, 1Lavandulyl)-B(2OH)	Dihydroflavonol	Kushenol I

Level: 3, プリカーサーm/z: 291.22571

Splash: splash10-00di-0090000000-db365c2aa36e50791e36

m/z	Int.	NL	Rel.Int.
273.22	44	18	1000
261.20	4	30	82

Score	Symbolized Name	MSMS-Category	MSMS-Aglycone
0.167	[Flavan 3-ol]-A(2OH)-B(2OH)	Flavan 3-ol	Mesquitol
0.167	[Flavan 3-ol]-A(2OH)-B(2OH)	Flavan 3-ol	2-(2,5-Dihydroxyphenyl)-3,4-dihydro-2H-1-benzopyran-3,5,7-triol
0.167	[Flavan 3-ol]-A(2OH)-B(2OH)	Flavan 3-ol	3,5,7,3',5'-Pentahydroxyflavan
0.167	[Flavan 3-ol]-A(2OH)-B(2OH)	Flavan 3-ol	Catechin
0.167	[Flavan 3-ol]-A(1OH)-B(3OH)	Flavan 3-ol	Robinetinidol
0.000	[Dihydrochalcone]-A(3OH)-B(2OH)	Dihydrochalcone	3,4,2',4',6'-Pentahydroxydihydrochalcone
0.000	[Dihydrochalcone alpha-ol]-A(3OH)-B(1OH)	Dihydrochalcone alpha-ol	Nubigenol
0.000	[Dihydrochalcone alpha-ol]-A(2OH)-B(2OH)	Dihydrochalcone alpha-ol	3,4,2',4',alpha-Pentahydroxydihydrochalcone
0.000	[Flavan 4-ol]-A(2OH)-B(2OH)	Flavan 4-ol	Luteoforol
0.000	[Flavan 3,4-diol]-A(1OH)-B(2OH)	Flavan 3,4-diol	3,4,7,3',4'-Pentahydroxyflavan
0.000	[Flavan 3,4-diol]-A(2OH)-B(1OH)	Flavan 3,4-diol	3,4,7,8,4'-Pentahydroxyflavan
0.000	[Flavan 3,4-diol]-A(2OH)-B(1OH)	Flavan 3,4-diol	3,4,5,7,4'-Pentahydroxyflavan

関連ピーク情報

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
	83.44	471.21417	15.9739	0.53	[M+K]+	(28 names) Vibsanin G; (+)-Vibsanin G; Boletinin J; Wortmannilactone B; (-)-Wortmannilactone B; Vibsanol B; (+)-Vibsanol B; L 669262; Colupdox a; Erinacine A; 14R*,15-Epoxyvibsanin C; (+)-(14R,15)-Epoxyvibsanin; Hydrocortis...	ALL 21 KN 14 HM 6 LM 1				2
	83.47	464.30050	9.0602	0.23	[M+CH5N+H]+	(28 names) Vibsanin G; (+)-Vibsanin G; Boletinin J; Wortmannilactone B; (-)-Wortmannilactone B; Vibsanol B; (+)-Vibsanol B; L 669262; Colupdox a; Erinacine A; 14R*,15-Epoxyvibsanin C; (+)-(14R,15)-Epoxyvibsanin; Hydrocortis...	ALL 21 KN 14 HM 6 LM 1	MS2			3
10154	83.45	455.24026	0.0000	0.12	[M+Na]+	(28 names) Vibsanin G; (+)-Vibsanin G; Boletinin J; Wortmannilactone B; (-)-Wortmannilactone B; Vibsanol B; (+)-Vibsanol B; L 669262; Colupdox a; Erinacine A; 14R*,15-Epoxyvibsanin C; (+)-(14R,15)-Epoxyvibsanin; Hydrocortis...	ALL 21 KN 14 HM 6 LM 1	MS2 MS3		0.167	2
	83.43	450.28478	-4.9555	0.78	[M+NH4]+	(28 names) Vibsanin G; (+)-Vibsanin G; Boletinin J; Wortmannilactone B; (-)-Wortmannilactone B; Vibsanol B; (+)-Vibsanol B; L 669262; Colupdox a; Erinacine A; 14R*,15-Epoxyvibsanin C; (+)-(14R,15)-Epoxyvibsanin; Hydrocortis...	ALL 21 KN 14 HM 6 LM 1	MS2 MS3		0.091	3
	83.43	433.25819	-21.9821	0.57	[M+H]+	(28 names) Vibsanin G; (+)-Vibsanin G; Boletinin J; Wortmannilactone B; (-)-Wortmannilactone B; Vibsanol B; (+)-Vibsanol B; L 669262; Colupdox a; Erinacine A; 14R*,15-Epoxyvibsanin C; (+)-(14R,15)-Epoxyvibsanin; Hydrocortis...	ALL 21 KN 14 HM 6 LM 1	MS2 MS3 x 2	0.083	0.056	2

ピーク情報

DB検索結果

MSnスペクトル情報

FlavonoidSearch結果

FlavonoidSearch結果

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