ピーク情報

シロイヌナズナ　地上部

pos

Peak #11620 MN MID: SE200_S1_M90

m/z: 627.42730, RT: 94.83, 強度: 1633440, ログ強度: 2.59, アダクト: [M+CH3OH-2(H2O)+H]+, [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: (4 names) 12-O-(2-Methylbutyryl)phorbol-13-dodecanoate;3beta,5beta,10beta,14beta-tetrahydroxy-19-norbufa-20,22-dienolide-3beta-yl-14-hydroxy-tetradecanoate;Charantoside I;4-O-Methyl-12-O-tetradecanoylphorbol 13...

DBごとのヒット数: ALL 4 KN 2 HM 1 LM 1

FlavonoidSearch最大スコア MS2: -, MS3: 0.026

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
C37H58O8	630.41317	2.802	12-O-(2-Methylbutyryl)phorbol-13-dodecanoate	KNApSAcK: C00050629
C37H58O8	630.41317	2.802	3beta,5beta,10beta,14beta-tetrahydroxy-19-norbufa-20,22-dienolide-3beta-yl-14-hydroxy-tetradecanoate	LipidMAPS: LMST01020115
C37H58O8	630.41317	2.802	Charantoside I	KNApSAcK: C00054729
C37H58O8	630.41317	2.802	4-O-Methyl-12-O-tetradecanoylphorbol 13-acetate	HMDB: HMDB0246554

MSnスペクトル情報

Level: 2, プリカーサーm/z: 627.42560

Splash: splash10-0002-0071390000-62c3f920d96a7e041dcd

m/z	Int.	NL	Rel.Int.
595.41	148627	32	1000
275.18	88094	352	592
471.36	56093	156	377
247.21	22723	380	152
349.33	19342	278	130
293.19	15619	334	105
503.42	7512	124	50

Score	Symbolized Name	MSMS-Category	MSMS-Aglycone
0.000	[Flavone]-A(2OH, 2(C-Glu))-B(3OH)	Flavone	6,8-Di-C-glucopyranosyltricetin
0.000	[Flavone]-A(2OH, 1((O-<2,4,5-Trihydroxycinnamoyl>)-C-Glu))-B(2OH)	Flavone	Isoorientin 2''-(2,4,5-dihydroxycinnamante)

Level: 3, プリカーサーm/z: 595.39264

Splash: splash10-00fr-0091810000-9a9309f1d4fa317935f3

m/z	Int.	NL	Rel.Int.
471.32	32378	124	1000
275.26	21349	320	659
349.27	6441	246	198
247.13	5971	348	184
293.25	3371	302	104
577.48	2255	18	69
229.29	2125	366	65
539.50	1959	56	60

Score	Symbolized Name	MSMS-Category	MSMS-Aglycone
0.077	[Flavone]-A(2OH, 2(C-Glu))-B(1OH)	Flavone	Vicenin 2
0.077	[Isoflavone]-A(2OH, 2(C-Glu))-B(1OH)	Isoflavone	Paniculatin
0.000	[UBR-type derivative / 2'-Oxocyclohexa-3',6'-dienyl-type Chalcone]-A(2OH, 1(C-Glu), 1([3,2:m,n]-(Epoxy-C-glucosyl)))-B(1OH)	UBR-type derivative / 2'-Oxocyclohexa-3',6'-dienyl-type Chalcone	Safflor yellow A
0.000	[3-substituted Flavone (3-C-Glu)]-A(2OH, 1(C-Glu))-B(1OH)	3-substituted Flavone	3,6-Di-C-glucosylapigenin
0.000	[3-substituted Flavone (3-C-Glu)]-A(2OH, 1(C-Glu))-B(1OH)	3-substituted Flavone	3,8-Di-C-glucopyranosylapigenin
0.000	[Flavone]-A(2OH, 1(C-Galactosyl), 1(C-Galactosyl))-B(1OH)	Flavone	6,8-Di-C-galactopyranosylapigenin
0.000	[Flavone]-A(2OH, 1(C-Glu), 1(C-Galactosyl))-B(1OH)	Flavone	6-C-Glucopyranosyl-8-C-galactopyranosylapigenin
0.000	[Flavone]-A(2OH, 1(1(O-(E)-p-Coumaroyl)-C-Glu))-B(2OH)	Flavone	Isoorientin 2''-O-(E)-p-coumarate
0.000	[Flavone]-A(2OH, 1(C-Glu), 1(C-Xylosyl))-B(1OH, 1OMe)	Flavone	6-C-Xylopyranosyl-8-C-glucopyranosylchrysoeriol
0.000	[Flavone]-A(2OH, 1(C-Glu), 1(C-Xylosyl))-B(1OH, 1OMe)	Flavone	6-C-Glucopyranosyl-8-C-xylopyranosylchrysoeriol
0.000	[Flavone]-A(2OH, 1(C-Glu), 1(C-Arabinosyl))-B(1OH, 1OMe)	Flavone	Chrysoeriol 6-C-glucoside-8-C-arabinopyranoside
0.000	[Flavone]-A(2OH, 1(C-Glu), 1(C-Arabinosyl))-B(1OH, 1OMe)	Flavone	Chrysoeriol 6-C-arabinopyranoside-8-C-glucoside
0.000	[Flavone]-A(2OH, 1(C-Glu), 1(C-Rhamnosyl))-B(2OH)	Flavone	Elatin
0.000	[Flavone]-A(2OH, 2(C-Arabinosyl))-B(1OH, 2OMe)	Flavone	6,8-Di-C-arabinopyranosyltricin
0.000	[Flavone]-A(2OH, 2(C-Arabinosyl))-B(1OH, 2OMe)	Flavone	6,8-Di-C-arabinopyranosylapometzgerin

Level: 3, プリカーサーm/z: 275.18433

Splash: splash10-0a4j-0790000000-0aae534d2a18ecf78286

m/z	Int.	NL	Rel.Int.
257.28	8071	18	1000
247.23	4940	28	612
173.12	4626	102	573
229.20	3071	46	380
145.04	2305	130	285
159.13	2119	116	262
119.01	2044	156	253
148.85	1688	126	209
239.16	1586	36	196
161.02	1577	114	195
147.09	1515	128	187
219.33	1499	56	185
187.05	1467	88	181
135.06	1466	140	181
233.21	1106	42	137
201.21	1016	74	125
205.07	1013	70	125
90.94	1006	184	124
189.12	977	86	121
215.10	961	60	119

Score	Symbolized Name	MSMS-Category	MSMS-Aglycone
0.042	[Flavan 3-ol]-A(2OH)-B(1OH)	Flavan 3-ol	Afzelechin
0.042	[Flavan 3-ol]-A(1OH)-B(2OH)	Flavan 3-ol	Fisetinidol
0.000	[Dihydrochalcone]-A(3OH)-B(1OH)	Dihydrochalcone	Phloretin
0.000	[Auronol]-A(none)-B(1Cl)	Auronol	4'-Chloro-2-hydroxyaurone
0.000	[Dihydrochalcone alpha-ol]-A(2OH)-B(1OH)	Dihydrochalcone alpha-ol	4,2',4',alpha-Tetrahydroxydihydrochalcone
0.000	[Dihydrochalcone beta-ol]-A(2OH)-B(1OH)	Dihydrochalcone beta-ol	4,2',4',beta-Tetrahydroxydihydrochalcone
0.000	[Flavan 4-ol]-A(2OH)-B(1OH)	Flavan 4-ol	Apifero
0.000	[Flavan 3,4-diol]-A(1OH)-B(1OH)	Flavan 3,4-diol	3,4,7,4'-Tetrahydroxyflavan
0.000	[Flavan]-A(2OH)-B(2OH)	Flavan	5,7,3',4'-Tetrahydroxyflavan

ピーク情報

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MSnスペクトル情報

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