ピーク情報

パセリ　葉

pos

Peak #9614 MN MID: SE61_S21_M90

m/z: 471.21458, RT: 83.47, 強度: 36370, ログ強度: 0.98, アダクト: [M+K]+, 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	0.542	Vibsanin G	KNApSAcK: C00043213, C00043997
C25H36O6	432.25119	0.542	Boletinin J	KNApSAcK: C00054222
C25H36O6	432.25119	0.542	Wortmannilactone B	KNApSAcK: C00040663
C25H36O6	432.25119	0.542	Vibsanol B	KNApSAcK: C00045436
C25H36O6	432.25119	0.542	L 669262	KNApSAcK: C00017080
C25H36O6	432.25119	0.542	Colupdox a	HMDB: HMDB0039597
C25H36O6	432.25119	0.542	Erinacine A	HMDB: HMDB0040291
C25H36O6	432.25119	0.542	Hydrocortisone 17-butyrate	HMDB: HMDB0253243
C25H36O6	432.25119	0.542	14R*,15-Epoxyvibsanin C	KNApSAcK: C00032604
C25H36O6	432.25119	0.542	Vibsanol A	KNApSAcK: C00045435
C25H36O6	432.25119	0.542	3-Hydroxyvibsanin E	KNApSAcK: C00036551
C25H36O6	432.25119	0.542	Wortmannilactone D	KNApSAcK: C00040665
C25H36O6	432.25119	0.542	14-Acetyl-3,19-isopropylideneandrographolide	KNApSAcK: C00034369
C25H36O6	432.25119	0.542	Rastevione	KNApSAcK: C00021326, C00021327
C25H36O6	432.25119	0.542	Erinacine B	HMDB: HMDB0040390
C25H36O6	432.25119	0.542	Vibsanin L	KNApSAcK: C00033483
C25H36O6	432.25119	0.542	Espinosanolide 2-methylbutyrate	KNApSAcK: C00022398
C25H36O6	432.25119	0.542	3-Angeloyloxy-2,18-dihydroxy-8(17),13-labdadien-15,16-olide	KNApSAcK: C00023361
C25H36O6	432.25119	0.542	16-(Acetyloxy)-3,14-dihydroxycard-20(22)-enolide	HMDB: HMDB0255934
C25H36O6	432.25119	0.542	Erinacine E	HMDB: HMDB0029656
C25H36O6	432.25119	0.542	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: 471.21448

Splash: splash10-0a4i-0009100000-6d0bbd8a4613fbf19fb3

m/z	Int.	NL	Rel.Int.
307.18	2320	164	1000
430.15	252	41	108
218.06	176	253	75
453.52	162	18	69

Score	Symbolized Name	MSMS-Category	MSMS-Aglycone
0.000	[2'-Hydroxychalcone]-A(1OH, 2OMe, 1([2,3:@@]-(5-Oxo-4-(1-Hydroxy-3-phenylallylidene)-4,5-dihydrofurano)))-B(none)	2'-Hydroxychalcone	Didymocalyxin B

Level: 3, プリカーサーm/z: 307.24670

Splash: splash10-002r-0090000000-b1899f19d6a7dbdd989a

m/z	Int.	NL	Rel.Int.
289.21	933	18	1000
277.25	501	30	537

Score	Symbolized Name	MSMS-Category	MSMS-Aglycone
0.167	[Flavan 3-ol]-A(2OH)-B(3OH)	Flavan 3-ol	Gallocatechin
0.071	[Flavanone]-A(1([2,3:@@]-(6,6-Dimethylpyrano)))-B(none)	Flavanone	Isolonchocarpin
0.071	[2'-Hydroxychalcone]-A(1OH, 1([2,3:@@]-(6,6-Dimethylpyrano)))-B(none)	2'-Hydroxychalcone	Lonchocarpin
0.000	[Aurone]-A(1([2,3:@@]-Furano))-B(1([@@]-Methylenedioxy))	Aurone	3',4'-Methylenedioxyfurano[2'',3'':6,7]aurone
0.000	[Flavan 3,4-diol]-A(1OH)-B(3OH)	Flavan 3,4-diol	3,4,7,3',4',5'-Hexahydroxyflavan
0.000	[Flavan 3,4-diol]-A(2OH)-B(2OH)	Flavan 3,4-diol	3,4,7,8,3',4'-Hexahydroxyflavan
0.000	[Flavan 3,4-diol]-A(2OH)-B(2OH)	Flavan 3,4-diol	Catechin-4-ol
0.000	[Pterocarpene]-A(1([2,3:@@]-Furano))-B(1([@@]-Methylenedioxy))	Pterocarpene	Neoduleen

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
9614	83.47	471.21458	0.0000	0.98	[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	MS2 MS3		0.167	2
	83.44	450.28502	-20.9296	0.58	[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			3
	83.46	433.25841	-37.9562	0.74	[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	0.091	0.053	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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