ピーク情報

ポプラ, 幼植物, 地上部

pos

Peak #8097 MN MID: SE205_S08_M90

m/z: 599.32142, RT: 74.51, 強度: 3897, ログ強度: -0.01, 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: (12 names) Bacobitacin B;(-)-Bacobitacin B;12-O-Methylvolkensin;(-)-12-O-Methylvolkensin;Salannol 3-acetate;Cinnafragrin D;(-)-Cinnafragrin D;PI(18:1(9Z)/0:0);1-hexadecanoyl-2-glutaryl-sn-glycero-3-phospho-(1'-s...

DBごとのヒット数: ALL 8 KN 6 LM 2

FlavonoidSearch最大スコア MS2: -, MS3: -

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
C34H46O9	598.31418	-0.068	Bacobitacin B	KNApSAcK: C00034446
C34H46O9	598.31418	-0.068	12-O-Methylvolkensin	KNApSAcK: C00038154
C34H46O9	598.31418	-0.068	Salannol 3-acetate	KNApSAcK: C00053764
C34H46O9	598.31418	-0.068	Cinnafragrin D	KNApSAcK: C00038772
C27H51O12P	598.31182	3.890	PI(18:1(9Z)/0:0)	HMDB: HMDB0061693, [-1]HMDB0242160, HMDB0256522 LipidMAPS: LMGP06050005
C27H51O12P	598.31182	3.890	1-hexadecanoyl-2-glutaryl-sn-glycero-3-phospho-(1'-sn-glycerol)	LipidMAPS: LMGP20060016
C30H42O7N6	598.31150	4.420	BE 18257A	KNApSAcK: C00017203
C30H42O7N6	598.31150	4.420	FA-70D	KNApSAcK: C00028263

MSnスペクトル情報

Level: 2, プリカーサーm/z: 599.31940

Splash: splash10-02u0-0000960000-58082394309aab9e0842

m/z	Int.	NL	Rel.Int.
419.18	2042	180	1000
581.24	1148	18	562
563.40	930	36	455
411.18	409	188	200
401.28	281	198	137
415.30	156	184	76

Score	Symbolized Name	MSMS-Category	MSMS-Aglycone
0.000	[2'-Hydroxychalcone]-A(2OH, 1OMe, 1(5-Hydroperoxy-1,7-bis-(4-hydroxyphenyl)-hept-2-enyl))-B(1OH)	2'-Hydroxychalcone	Calyxin A
0.000	[Dihydrochalcone]-A(3OH, 2(C-Glu))-B(1OH)	Dihydrochalcone	Phloretin 3',5'-Di-C-glucoside

Level: 3, プリカーサーm/z: 419.18494

Splash: splash10-03di-0039000000-e32488fc3fe72423802c

m/z	Int.	NL	Rel.Int.
313.13	1216	106	1000
271.16	305	148	251
269.12	179	150	147

FlavonoidSearch結果

Symbolized Name	MSMS-Category	MSMS-Aglycone
[Pterocarpan]-A(1OMe, 1([2,3:@@]-(6,6-Dimethylpyrano)))-B(1([2,3:@@]-(6,6-Dimethylpyrano)))	Pterocarpan	Gangetinin
[Flavone]-A(1OH, 2OMe)-B(4OMe)	Flavone	Agecorynin F
[Flavone]-A(3OMe)-B(1OH, 3OMe)	Flavone	Agecorynin G
[Flavone]-A(4OMe)-B(1OH, 2OMe)	Flavone	4'-Hydroxy-5,6,7,8,3',5'-hexamethoxyflavone
[Flavone]-A(4OMe)-B(1OH, 2OMe)	Flavone	3'-Hydroxy-5,6,7,8,4',5'-hexamethoxyflavone
[Flavone]-A(1OH, 3OMe)-B(3OMe)	Flavone	8-Hydroxy-5,6,7,3',4',5'-hexamethoxyflavone
[Flavone]-A(1OH, 3OMe)-B(3OMe)	Flavone	Gardenin A
[Flavone]-A(1OH, 3OMe)-B(3OMe)	Flavone	Agehoustin E
[Flavonol]-A(4OMe)-B(2OMe)	Flavonol	Natsudaidain
[2'-Hydroxychalcone]-A(2OH, 1(C-Glu))-B(1OH)	2'-Hydroxychalcone	3'-C-Glucosylisoliquiritigenin
[2'-Hydroxychalcone]-A(2OH, 1([2,3:@@]-(4-Phenyl-4,5-dihydro-6-oxopyrano)))-B(2OH)	2'-Hydroxychalcone	8-Caffeoyl-3,4-dihydro-5,7-dihydroxy-4-phenylcoumarin
[2'-Hydroxychalcone]-A(1OH, 1OMe, 1([@@]-Methylenedioxy))-B(4OMe)	2'-Hydroxychalcone	6'-Hydroxy-2,3,4,5,2'-pentamethoxy-3',4'-methylenedioxychalcone
[Dihydrochalcone]-A(2OH, 1([2,3:@@]-(4-Phenyl-4,5-dihydro-6-oxopyrano)))-B(1OMe)	Dihydrochalcone	Calomelanol A
[Flavanone]-A(1OH, 1(C-Galactosyl))-B(1OH)	Flavanone	8-C-beta-D-Galactosylliquiritigenin
[Flavanone]-A(4OMe)-B(1OMe, 1([@@]-Methylenedioxy))	Flavanone	Agecorynin B
[Flavone]-A(2OH, 1(C-Xylosyl))-B(2OH)	Flavone	6-C-Xylosylluteolin
[Flavone]-A(2OH, 1(C-Arabinosyl))-B(2OH)	Flavone	8-C-alpha-L-Arabinosylluteolin
[Flavone]-A(2OH, 1(C-Arabinosyl))-B(2OH)	Flavone	6-C-alpha-L-Arabinosylluteolin
[CCS-type derivative / [2',3]-Prenyloxidoflavone]-A(1OH, 1([2,3:@@]-(6,6-Dimethylpyrano)))-B(1OH)	CCS-type derivative / [2',3]-Prenyloxidoflavone	Cyclomorusin
[CCS-type derivative / [2',3]-Prenyloxidoflavone]-A(1OH, 1([2,3:@@]-(6,6-Dimethylpyrano)))-B(1OH)	CCS-type derivative / [2',3]-Prenyloxidoflavone	Isocyclomorusin
[Flavonol (3-OMe)]-A(1OH, 1OMe)-B(4OMe)	Flavonol	5-Hydroxy-3,7,2',3',4',6'-hexamethoxyflavone
[Flavonol (3-OMe)]-A(3OMe)-B(1OH, 2OMe)	Flavonol	4'-Hydroxy-3,5,6,7,3',5'-hexamethoxyflavone
[Flavonol (3-OMe)]-A(1OH, 2OMe)-B(3OMe)	Flavonol	5-Hydroxy-3,6,7,3',4',5'-hexamethoxyflavone
[Flavonol (3-OMe)]-A(1OH, 2OMe)-B(3OMe)	Flavonol	5-Hydroxy-3,6,7,2',4',5'-hexamethoxyflavone
[Flavonol (3-OMe)]-A(1OH, 2OMe)-B(3OMe)	Flavonol	8-Hydroxy-3,5,7,3',4',5'-hexamethoxyflavone
[Flavonol (3-OMe)]-A(1OH, 2OMe)-B(3OMe)	Flavonol	5-Hydroxy-3,3',4',5',7,8-hexamethoxyflavone
[Flavonol (3-OMe)]-A(1OH, 3OMe)-B(2OMe)	Flavonol	Grantioidinin
[Flavonol (3-OMe)]-A(1OH, 3OMe)-B(2OMe)	Flavonol	7-Hydroxy-3,5,6,8,3',4'-hexamethoxyflavone
[Flavonol (3-OMe)]-A(1OH, 3OMe)-B(2OMe)	Flavonol	5-Hydroxy-3,6,7,8,3',4'-hexamethoxyflavone
[Flavonol (3-OMe)]-A(1OH, 1OMe, 1([@@]-Methylenedioxy))-B(1OH, 2OMe)	Flavonol	5,3'-Dihydroxy-3,8,4',5'-tetramethoxy-6,7-methylenedioxyflavone
[Flavonol (3-OMe)]-A(1OH, 3OMe)-B(2OMe)	Flavonol	5-Hydroxy-3,6,7,8,2',4'-hexamethoxyflavone
[CCS-type derivative / [2,3a,4:5,4,3]-(8,9-Dihydroxy-1,5-dioxa-6-oxophenaleno)anthocyanidin]-A(1OH)-B(2OH)	CCS-type derivative / [2,3a,4:5,4,3]-(8,9-Dihydroxy-1,5-dioxa-6-oxophenaleno)anthocyanidin	Rosacyanin B
[Isoflavone]-A(1OH, 1([2,3:@@]-(6-Hydroxymethyl-6-methylpyrano)))-B(1([2,3:@@]-(6,6-Dimethylpyrano)))	Isoflavone	Ulexone D
[Isoflavone]-A(1OH, 1([2,3:@@]-(5-(Hydroxyisopropanyl)furano)))-B(1([2,3:@@]-(6,6-Dimethylpyrano)))	Isoflavone	Ulexin C
[Isoflavone]-A(1OMe, 1(C-Prenyl), 1([2,3:@@]-(6,6-Dimethylpyrano)))-B(1OH)	Isoflavone	Scandinone
[Pterocarpan]-A(1([2,3:@@]-(6-Methyl-6-(4-methyl-3-pentenyl)pyrano)))-B(1([@@]-Methylenedioxy))	Pterocarpan	Nitiducarpin
[Coumaranochromon]-A(1OH, 1(C-Prenyl), 1([2,3:@@]-(6,6-Dimethylpyrano)))-B(1OH)	Coumaranochromon	Millettin

Level: 3, プリカーサーm/z: 581.23718

Splash: splash10-014i-0000940000-1766e5929c66eaa2d722

Symbolized Name	MSMS-Category	MSMS-Aglycone
[Flavone]-A(2OH, 1(C-Glu), 1(C-Xylosyl))-B(2OH)	Flavone	Lucenin 1
[Flavone]-A(2OH, 1(C-Glu), 1(C-Xylosyl))-B(2OH)	Flavone	Lucenin 3
[Flavone]-A(2OH, 1(C-Glu), 1(C-Arabinosyl))-B(2OH)	Flavone	Carlinoside
[Flavone]-A(2OH, 1(C-Glu), 1(C-Arabinosyl))-B(2OH)	Flavone	Isocarlinoside
[Flavone]-A(2OH, 1(C-Glu), 1(C-Arabinosyl))-B(2OH)	Flavone	Neocarlinoside

m/z	Int.	NL	Rel.Int.
415.21	398	166	1000
563.30	179	18	449
397.25	21	184	53
545.45	21	36	52