ピーク情報

ポプラ, 幼植物, 地上部

pos

Peak #8829 MN MID: SE205_S08_M90

m/z: 529.38895, RT: 90.66, 強度: 22819, ログ強度: 0.76, アダクト: [M+H]+, 共有数（同様のピークを含むサンプル数）: 5

DB検索結果: (6 names) 17beta,20beta-Epoxy-23,24-dimethylcholest-5-ene-3beta,22-diol 3beta,22-diacetate;Tsugaric acid B;Pachymic acid;Versisponic acid D;(+)-Versisponic acid D;21alpha-Hydroxyserrat-14-en-3beta-yl propanedio...

DBごとのヒット数: ALL 5 KG 1 KN 3 HM 1

FlavonoidSearch最大スコア MS2: -, MS3: 0.068

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
C33H52O5	528.38147	0.374	Tsugaric acid B	HMDB: HMDB0031962
C33H52O5	528.38147	0.374	17beta,20beta-Epoxy-23,24-dimethylcholest-5-ene-3beta,22-diol 3beta,22-diacetate	KNApSAcK: C00046565
C33H52O5	528.38147	0.374	Pachymic acid	HMDB: HMDB0256070 KEGG: C17044 KNApSAcK: C00023810
C33H52O5	528.38147	0.374	Versisponic acid D	KNApSAcK: C00033476
C33H52O5	528.38147	0.374	21alpha-Hydroxyserrat-14-en-3beta-yl propanedioic acid monoester	KNApSAcK: C00050658

MSnスペクトル情報

Level: 2, プリカーサーm/z: 529.38922

Splash: splash10-03dr-0101940000-7b2411f4167068e642f7

m/z	Int.	NL	Rel.Int.
511.33	1036	18	1000
437.47	745	92	719
419.45	275	110	265
455.31	260	74	250
473.35	156	56	150
475.44	150	54	144
493.39	137	36	131
195.01	111	334	107
159.08	110	370	105
177.12	84	352	81
417.26	82	112	79
355.31	82	174	78
431.29	78	98	75
299.38	70	230	67
311.29	68	218	65
339.27	62	190	59
185.06	61	344	59
317.25	61	212	58
261.34	52	268	50

Score	Symbolized Name	MSMS-Category	MSMS-Aglycone
0.000	[2'-Hydroxychalcone]-A(3OH, 2(6-Isopropyl-3-methyl-2-cyclohexenyl))-B(none)	2'-Hydroxychalcone	Neolinderachalcone
0.000	[Flavanone]-A(2OH, 2(6-Isopropyl-3-methyl-2-cyclohexenyl))-B(none)	Flavanone	Neolinderatone

Level: 3, プリカーサーm/z: 437.32416

Splash: splash10-014i-0242900000-39435c8772e1a9b4065a

m/z	Int.	NL	Rel.Int.
419.29	148	18	1000
237.27	20	200	137
196.99	19	240	126
351.37	18	86	123
309.19	18	128	121
267.22	15	170	101
209.23	14	228	94
135.16	14	302	92
401.34	13	36	87
409.37	11	28	75
353.47	11	84	72
297.54	10	140	70
183.08	10	254	70
199.35	10	238	66
281.33	10	156	65
201.01	10	236	64
417.17	9	20	61
295.31	9	142	61
305.23	9	132	61
293.46	9	144	60

FlavonoidSearch結果

Score	Symbolized Name	MSMS-Category	MSMS-Aglycone
0.105	[Isoflavone]-A(2OH, 1(C-Prenyl))-B(1OH, 1OMe, 1(C-Prenyl))	Isoflavone	2'-Methoxylupalbigenin
0.105	[Isoflavone]-A(2OH, 2(C-Prenyl))-B(1OH, 1OMe)	Isoflavone	6,8-Diprenylpratensein
0.000	[2'-Hydroxychalcone]-A(1OH, 1OMe, 1(C-Prenyl), 1([2,3:@@]-(6,6-Dimethylpyrano)))-B(2OH)	2'-Hydroxychalcone	Orotinichalcone
0.000	[Dihydrochalcone]-A(3OH, 1(C-Glu))-B(1OH)	Dihydrochalcone	Nothofagin
0.000	[Dihydrochalcone alpha-ol]-A(2OH, 1(C-Glu))-B(1OH)	Dihydrochalcone alpha-ol	Coatline A
0.000	[Dihydrochalcone beta-ol]-A(2OH, 1(C-Glu))-B(1OH)	Dihydrochalcone beta-ol	Pterosupin
0.000	[Flavanone]-A(2OH, 1(C-Prenyl), 1Methyl)-B(1OMe, 1(C-Prenyl))	Flavanone	Lespedezaflavanone G
0.000	[Flavanone]-A(2OH, 1(C-Prenyl), 1Methyl)-B(1OMe, 1(C-Prenyl))	Flavanone	Lespedezaflavanone F
0.000	[Flavanone]-A(1OH, 1(C-Prenyl), 1([2,3:@@]-(6,6-Dimethylpyrano)))-B(1OH, 1OMe)	Flavanone	3'-Methoxylupinifolin
0.000	[Flavanone]-A(1OH, 1(C-Prenyl), 1([2,3:@@]-(6,6-Dimethylpyrano)))-B(1OH, 1OMe)	Flavanone	Fleminone
0.000	[Flavanone]-A(1OH, 2OMe, 1(2,5-Dihydroxybenzyl))-B(none)	Flavanone	Macrophyllol A (flavone)
0.000	[Flavone]-A(2OH, 1Geranyl)-B(1OH, 1OMe)	Flavone	Cannflavin A
0.000	[3-substituted Flavone (3-C-Prenyl)]-A(1OH, 1OMe, 1(C-Prenyl))-B(2OH)	3-substituted Flavone	Artocarpin
0.000	[Flavone]-A(1OH, 1([2,3:@@]-(6,6-Dimethylpyrano)))-B(3OH, 1(C-Prenyl))	Flavone	Artobilichromene
0.000	[3-substituted Flavone (3-C-Prenyl)]-A(1OH, 1([2,3:@@]-(6,6-Dimethylpyrano)))-B(3OH)	3-substituted Flavone	Artonin E
0.000	[CCS-type derivative / [2,2a,5:3',2',3]-7,7-Dimethyltetrahydroisobenzofuranoflavone]-A(2OH)-B(2OH, 1(C-Prenyl))	CCS-type derivative / [2,2a,5:3',2',3]-7,7-Dimethyltetrahydroisobenzofuranoflavone	Artonin J
0.000	[Dihydroflavonol (3-OMe)]-A(1OH, 1(C-Prenyl), 1([2,3:@@]-(6,6-Dimethylpyrano)))-B(1OH)	Dihydroflavonol	3-Methoxyminimiflorin
0.000	[Dihydroflavonol (3-OMe)]-A(1OH, 1(C-Prenyl), 1([2,3:@@]-(6,6-Dimethylpyrano)))-B(1OH)	Dihydroflavonol	3-O-methyllupinifolinol
0.000	[Dihydroflavonol]-A(1OMe, 1(C-Prenyl), 1([2,3:@@]-(6,6-Dimethylpyrano)))-B(1OH)	Dihydroflavonol	3,4'-Dihydroxy-5-methoxy-8-prenyl-6'',6''-dimethylpyrano[2'',3'':7,6]flavanone
0.000	[CCS-type derivative / [3,2']-Epoxy-2-hydroxy-3-prenylflavanone]-A(1OH, 1([2,3:@@]-(6,6-Dimethylpyrano)))-B(1OH)	CCS-type derivative / [3,2']-Epoxy-2-hydroxy-3-prenylflavanone	Sanggenon A
0.000	[CCS-type derivative / [3,2']-Epoxy-2-hydroxy-3-prenylflavanone]-A(1OH, 1([2,3:@@]-(6,6-Dimethylpyrano)))-B(1OH)	CCS-type derivative / [3,2']-Epoxy-2-hydroxy-3-prenylflavanone	Sanggenon M
0.000	[Flavonol]-A(1OH, 1([2,3:@@]-(4,4,5-Trimethyldihydrofurano)))-B(1OH, 1([2,3:@@]-(6,6-Dimethylpyrano)))	Flavonol	Broussonol B
0.000	[Flavonol]-A(2OH, 1(1,1-Dimethylallyl))-B(1OH, 1([2,3:@@]-(6,6-Dimethylpyrano)))	Flavonol	Broussonol A
0.000	[Flavonol]-A(2OH)-B(1OH, 1([2,3:@@]-(6-Methyl-6-(4-methyl-3-pentenyl)pyrano)))	Flavonol	Petalopurpurenol
0.000	[Flavan 3-ol]-A(1OH, 1([2,3:@@]-(4-(p-Hydroxyphenyl)-6-oxodihydropyrano)))-B(2OH)	Flavan 3-ol	9,10-Dihydro-10-(4-hydroxyphenyl)-pyrano[2,3-h]catechin-8-one
0.000	[Flavan 3-ol]-A(2OH)-B(3OH)-C(1(O-Cinnamoyl))	Flavan 3-ol	Gallocatechin 3-O-cinnamate
0.000	[CCS-type derivative / [4,2']-Epoxyflavan 4-ol]-A(1OMe, 1(C-Prenyl), 1([2,3:@@]-(6,6-Dimethylpyrano)))-B(1OH)	CCS-type derivative / [4,2']-Epoxyflavan 4-ol	4,6'-Epoxyorotiniflavan-4-ol
0.000	[Isoflavone]-A(2([2,3:@@]-(6,6-Dimethyldihydropyrano)))-B(1OH, 1OMe)	Isoflavone	1'',2''-Dihydro-O-methylcyclopomiferin
0.000	[Isoflavone]-A(1OH, 1([2,3:@@]-(5-(Hydroxyisopropanyl)dihydrofurano)))-B(1OH, 1([2,3:@@]-(6,6-Dimethylpyrano)))	Isoflavone	Lupinisoflavone K
0.000	[Isoflavone]-A(1OH, 1([2,3:@@]-(6,6-Dimethylpyrano)))-B(1OH, 1([2,3:@@]-(5-(Hydroxyisopropanyl)dihydrofurano)))	Isoflavone	Lupinisoflavone L
0.000	[Isoflavone]-A(2([2,3:@@]-(6,6-Dimethyldihydropyrano)))-B(1OH, 1OMe)	Isoflavone	1'',2''-Dihydro-2'-hydroxycycloosajin
0.000	[Isoflavanone]-A(1OH, 1([2,3:@@]-(6,6-Dimethylpyrano)))-B(1OH, 1OMe, 1(C-Prenyl))	Isoflavanone	2'-O-Methylcajanone
0.000	[Coumaranochromon]-A(2OH, 1(C-Prenyl))-B(2OH, 1(C-Prenyl))	Coumaranochromon	Euchretin B
0.000	[alpha-Phenyldihydrocoumarinic acid]-A(1OH, 1([2,3:@@]-(6,6-Dimethylpyrano)), 1([2,3:@@]-(5,6-Dimethyl-4-oxodihydropyrano)))-B(none)	alpha-Phenyldihydrocoumarinic acid	Chapelieric acid methyl ester

Level: 3, プリカーサーm/z: 511.34216

Splash: splash10-002o-0010900000-57f597fc1d1f925ffdb1

m/z	Int.	NL	Rel.Int.
475.38	99	36	1000
493.29	89	18	900
437.31	86	74	865
419.46	22	92	226
196.96	19	314	191
293.50	13	218	135
457.65	13	54	135
353.30	13	158	131
455.18	12	56	124
185.28	11	326	114
263.06	10	248	103
323.42	9	188	90
275.33	9	236	90
433.58	8	78	85
249.16	8	262	83
377.60	8	134	82
295.10	8	216	80
465.43	7	46	74
211.28	7	300	74
389.86	7	121	71