ピーク情報

ポプラ, 幼植物, 地上部

pos

Peak #8326 MN MID: SE205_S08_M90

m/z: 297.11221, RT: 77.94, 強度: 12104, ログ強度: 0.48, アダクト: [M+H]+, 共有数（同様のピークを含むサンプル数）: 1

DB検索結果: (20 names) 4'-Hydroxy-R-phenprocoumon;Demethoxyegonol;Caledonixanthone A;(-)-Caledonixanthone A;4-[(2S,3S)-3-Methyl-7-(1-propynyl)-2,3-dihydro-1,4-benzodioxin-2-yl]-1,3-benzenediol;Dimethylstrobochrysin;Dasytric...

DBごとのヒット数: ALL 18 KG 3 KN 10 HM 5

FlavonoidSearch最大スコア MS2: -, MS3: -

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
C18H16O4	296.10486	0.252	4'-Hydroxy-R-phenprocoumon	HMDB: HMDB0060885
C18H16O4	296.10486	0.252	Demethoxyegonol	HMDB: HMDB0030772 KNApSAcK: C00032893
C18H16O4	296.10486	0.252	Caledonixanthone A	KNApSAcK: C00046641
C18H16O4	296.10486	0.252	4-[(2S,3S)-3-Methyl-7-(1-propynyl)-2,3-dihydro-1,4-benzodioxin-2-yl]-1,3-benzenediol	KNApSAcK: C00050714, C00050715
C18H16O4	296.10486	0.252	7,2'-Dimethoxy-8-methylisoflavone	KNApSAcK: C00019320
C18H16O4	296.10486	0.252	Calophyllin B	KEGG: C10054 KNApSAcK: C00002944
C18H16O4	296.10486	0.252	4-Ethyl-7-hydroxy-3-(p-methoxyphenyl)coumarin	KEGG: C14720
C18H16O4	296.10486	0.252	Obovatal	KNApSAcK: C00024160
C18H16O4	296.10486	0.252	Danshenxinkun A	KNApSAcK: C00050571
C18H16O4	296.10486	0.252	6-Hydroxy-R-phenprocoumon	HMDB: HMDB0060886
C18H16O4	296.10486	0.252	Caledonixanthone C	KNApSAcK: C00046643
C18H16O4	296.10486	0.252	8-Hydroxy-R-phenprocoumon	HMDB: HMDB0060887
C18H16O4	296.10486	0.252	1-(4-Hydroxy-3-methoxyphenyl)-5-(4-hydroxyphenyl)-1,4-pentadien-3-one	HMDB: HMDB0040931
C18H16O4	296.10486	0.252	Gymnoascolide B	KNApSAcK: C00042572, C00042573
C18H16O4	296.10486	0.252	7-Hydroxy-R-phenprocoumon	HMDB: HMDB0060888
C18H16O4	296.10486	0.252	5,7-Dimethoxy-6-C-methylflavone	FlavonoidViewer: FL3FA9NM0004 HMDB: HMDB0040873 KNApSAcK: C00004086 LipidMAPS: LMPK12110173
C18H16O4	296.10486	0.252	Dasytrichone	FlavonoidViewer: FL3FQUNM0001 KEGG: C10035 KNApSAcK: C00001035 LipidMAPS: LMPK12111508
C18H16O4	296.10486	0.252	5-Hydroxy-7-methoxy-6,8-di-C-methylflavone	FlavonoidViewer: FL3FA9NM0005 HMDB: HMDB0038518 KNApSAcK: C00004087 LipidMAPS: LMPK12110174

MSnスペクトル情報

Level: 2, プリカーサーm/z: 297.11191

Splash: splash10-0fvi-0950000000-f57656da7d604c0afb5c

m/z	Int.	NL	Rel.Int.
279.08	28718	18	1000
104.92	20825	192	725
165.01	17335	132	603
132.84	8324	164	289
162.96	2787	134	97

Symbolized Name	MSMS-Category	MSMS-Aglycone
[Coumestan]-A(1OMe)-B(1OMe)	Coumestan	Coumestrol dimethyl ether
[Flavone]-A(1OMe)-B(1([@@]-Methylenedioxy))	Flavone	Milleyanaflavone
[Flavone]-A(2OMe, 1Methyl)-B(none)	Flavone	5,7-Dimethoxy-6-C-methylflavone
[Flavone]-A(1OH, 1OMe, 2Methyl)-B(none)	Flavone	Desmosflavone
[Flavone]-A(2OH, 1Formyl, 1Methyl)-B(none)	Flavone	Unonal
[Flavone]-A(2OH, 1Formyl, 1Methyl)-B(none)	Flavone	Isounonal
[Flavone]-A(1OMe, 1([@@]-Methylenedioxy))-B(none)	Flavone	5-Methoxy-6,7-methylenedioxyflavone
[Flavone]-A(1OMe, 1([@@]-Methylenedioxy))-B(none)	Flavone	5-Methoxy-7,8-methylenedioxyflavone
[UBR-type derivative / 7-Oxocyclohexa-4a,5-dienyl-type Flavone]-A(1OH, 3Methyl)-B(none)	UBR-type derivative / 7-Oxocyclohexa-4a,5-dienyl-type Flavone	Dasytrichone
[Isoflavone]-A(1OMe)-B(1([@@]-Methylenedioxy))	Isoflavone	Pseudobaptigenin methyl ether
[Isoflavone]-A(1([@@]-Methylenedioxy))-B(1OMe)	Isoflavone	Maximaisoflavone H
[Pterocarpene]-A(1OMe)-B(1([@@]-Methylenedioxy))	Pterocarpene	Anhydropisatin
[Coumestan]-A(1OH)-B(1([@@]-Methylenedioxy))	Coumestan	Medicagol

Level: 3, プリカーサーm/z: 279.07843

Splash: splash10-03di-0590000000-bd99554cc8ca6a8e52fc

m/z	Int.	NL	Rel.Int.
261.19	2826	18	1000
162.97	1755	116	621
233.16	1400	46	495
251.13	1372	28	485
209.06	836	70	295
236.98	773	42	273
157.05	603	122	213
186.98	490	92	173
205.05	458	74	161
122.93	418	156	147
223.06	399	56	141
164.06	372	115	131
193.11	372	86	131
215.17	322	64	113
175.09	311	104	109
114.95	273	164	96
128.91	268	150	94
197.19	242	82	85
167.16	230	112	81
191.02	223	88	79

Symbolized Name	MSMS-Category	MSMS-Aglycone
[Aurone]-A(1OH, 1([2,3:@@]-Furano))-B(none)	Aurone	4-Hydroxyfurano[2'',3'':6,7]aurone
[Chalcone]-A(1OMe, 1([2,3:@@]-Furano))-B(none)	Chalcone	Ovalitenin A
[Flavone]-A(1([2,3:@@]-Furano))-B(1OH)	Flavone	3'-Hydroxy-[2'',3'':7,8]furanoflavone
[Flavone]-A(1OH, 1([2,3:@@]-Furano))-B(none)	Flavone	6-Hydroxyfurano[2'',3'':7,8]flavone
[Flavone]-A(1OH, 1([2,3:@@]-Furano))-B(none)	Flavone	Pongaglabol
[Pterocarpene]-A(1([2,3:@@]-Furano))-B(1OH)	Pterocarpene	Neorauteen

Level: 3, プリカーサーm/z: 104.92107

Splash: splash10-004i-9000000000-368f1e7f75bd42e6153f

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