ピーク情報

ゼニゴケ　Takaragaike-1

pos

Peak #2397 MN MID: SE205_S05_M90

m/z: 583.25503, RT: 68.26, 強度: 1187, ログ強度: -0.33, アダクト: [M+H]+, 共有数（同様のピークを含むサンプル数）: 13

DB検索結果: (15 names) Azelnidipine;Biliverdin-IX-beta;Biliverdin;21H-Biline-8,12-dipropanoicacid, 3,18-diethenyl-1,19,22,24-tetrahydro-2,7,13,17-tetramethyl-1,19-dioxo-;3-O-(1-Benzhydrylazetidin-3-yl) 5-O-propan-2-yl 2-ami...

DBごとのヒット数: ALL 11 KG 3 KN 5 HM 3

FlavonoidSearch最大スコア MS2: -, MS3: 0.182

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
C33H34O6N4	582.24783	-0.143	Azelnidipine	HMDB: HMDB0248792
C33H34O6N4	582.24783	-0.143	Biliverdin-IX-beta	KEGG: C21724
C33H34O6N4	582.24783	-0.143	Biliverdin	HMDB: HMDB0001008, [-2]HMDB0304275
C33H34O6N4	582.24783	-0.143	Biliverdin	HMDB: HMDB0245624 KEGG: C00500
C33H34O6N4	582.24783	-0.143	3-O-(1-Benzhydrylazetidin-3-yl) 5-O-propan-2-yl 2-amino-6-methyl-4-(3-nitrophenyl)-3,4-dihydropyridine-3,5-dicarboxylate	HMDB: HMDB0260251
C33H34O6N4	582.24783	-0.143	Biliverdin-IX-delta	KEGG: C21723
C32H38O10	582.24650	2.154	Xylocarpin H	KNApSAcK: C00039288, C00040716
C32H38O10	582.24650	2.154	Malleastrone A	KNApSAcK: C00039717
C32H38O10	582.24650	2.154	Phenylpyropene A	KNApSAcK: C00015121
C32H38O10	582.24650	2.154	Xylogranatin O	KNApSAcK: C00048921
C32H38O10	582.24650	2.154	Quivisianolide B	KNApSAcK: C00035732

MSnスペクトル情報

Level: 2, プリカーサーm/z: 583.25256

Splash: splash10-0002-0090020000-e48ab63e231a40f30ee6

m/z	Int.	NL	Rel.Int.
297.18	1597	286	1000
565.31	266	18	166
299.30	156	284	97
555.20	104	28	65
269.19	91	314	56
566.44	88	17	55
298.47	81	285	50

Symbolized Name	MSMS-Category	MSMS-Aglycone
[2'-Hydroxychalcone]-A(2OH, 1OMe, 1(5-Hydroxy-1,7-bis-(4-hydroxyphenyl)-hept-2-enyl))-B(1OH)	2'-Hydroxychalcone	Calyxin B
[Flavanone]-A(1OH, 1OMe, 1(5-Hydroxy-1,7-bis-(4-hydroxyphenyl)-hept-2-enyl))-B(1OH)	Flavanone	Calyxin C
[Flavanone]-A(1OH, 1OMe, 1(2-(4-Hydroxyphenyl)-6-(2-(4-hydroxyphenyl)ethyl)-tetrahydropyran-4-yl))-B(1OH)	Flavanone	Calyxin G
[Flavanone]-A(1OMe, 1([2,3:@@]-(4-(2-Hydroxy-4-(4-hydroxyphenyl)-butyl)-6-(4-hydroxyphenyl)-4,5-dihydropyrano)))-B(1OH)	Flavanone	Calyxin M
[Flavone]-A(2OH, 1(1(O-Vanilloyl)-C-Glu))-B(1OH)	Flavone	2''-O-Vanilloylvitexin
[Flavone]-A(2OH, 1(1(O-p-Methoxybenzoyl)-C-Glu))-B(2OH)	Flavone	Isoorientin 6''-O-p-methoxybenzoate
[4-substituted Flavan 3-ol (4-(2,4,6-Trihydroxyphenyl))]-A(2OH)-B(3OH)-C(1(O-Galloyl))	4-substituted Flavan 3-ol	4-(2,4,6-Trihydroxyphenyl)gallocatechin 3-O-galloate

Level: 3, プリカーサーm/z: 297.18375

Splash: splash10-014i-0090000000-4fe69ceb88cf1ed88af6

Score	Symbolized Name	MSMS-Category	MSMS-Aglycone
0.182	[Coumestan]-A(1OMe)-B(1OMe)	Coumestan	Coumestrol dimethyl ether
0.000	[Flavone]-A(1OMe)-B(1([@@]-Methylenedioxy))	Flavone	Milleyanaflavone
0.000	[Flavone]-A(2OMe, 1Methyl)-B(none)	Flavone	5,7-Dimethoxy-6-C-methylflavone
0.000	[Flavone]-A(1OH, 1OMe, 2Methyl)-B(none)	Flavone	Desmosflavone
0.000	[Flavone]-A(2OH, 1Formyl, 1Methyl)-B(none)	Flavone	Unonal
0.000	[Flavone]-A(2OH, 1Formyl, 1Methyl)-B(none)	Flavone	Isounonal
0.000	[Flavone]-A(1OMe, 1([@@]-Methylenedioxy))-B(none)	Flavone	5-Methoxy-6,7-methylenedioxyflavone
0.000	[Flavone]-A(1OMe, 1([@@]-Methylenedioxy))-B(none)	Flavone	5-Methoxy-7,8-methylenedioxyflavone
0.000	[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
0.000	[Isoflavone]-A(1OMe)-B(1([@@]-Methylenedioxy))	Isoflavone	Pseudobaptigenin methyl ether
0.000	[Isoflavone]-A(1([@@]-Methylenedioxy))-B(1OMe)	Isoflavone	Maximaisoflavone H
0.000	[Pterocarpene]-A(1OMe)-B(1([@@]-Methylenedioxy))	Pterocarpene	Anhydropisatin
0.000	[Coumestan]-A(1OH)-B(1([@@]-Methylenedioxy))	Coumestan	Medicagol

ピーク情報

DB検索結果

MSnスペクトル情報

FlavonoidSearch結果

FlavonoidSearch結果

m/z	Int.	NL	Rel.Int.
269.09	522	28	1000
237.16	158	60	302
209.05	99	88	189
255.23	57	42	109
238.15	55	59	105
251.10	40	46	76
253.34	38	44	71
297.27	29	-0	55
279.16	28	18	52