ピーク情報

ヒメツリガネゴケ　茎葉体（ガメトフォア）

pos

Peak #4201 MN MID: SE205_S04_M90

m/z: 529.38894, RT: 89.71, 強度: 2626, ログ強度: 0.00, アダクト: [M+H]+, 共有数（同様のピークを含むサンプル数）: 3

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: -

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	0.350	Tsugaric acid B	HMDB: HMDB0031962
C33H52O5	528.38147	0.350	17beta,20beta-Epoxy-23,24-dimethylcholest-5-ene-3beta,22-diol 3beta,22-diacetate	KNApSAcK: C00046565
C33H52O5	528.38147	0.350	Pachymic acid	HMDB: HMDB0256070 KEGG: C17044 KNApSAcK: C00023810
C33H52O5	528.38147	0.350	Versisponic acid D	KNApSAcK: C00033476
C33H52O5	528.38147	0.350	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: 529.38727

Splash: splash10-03dr-0000890000-d5922d78191b60e7921c

m/z	Int.	NL	Rel.Int.
511.39	815	18	1000
437.49	569	92	698
419.50	154	110	188
455.32	69	74	84
501.39	50	28	60
493.42	44	36	54

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: 511.38531

Splash: splash10-000l-0011900000-2188d6ac3e44884d53f6

m/z	Int.	NL	Rel.Int.
437.49	142	74	1000
419.28	70	92	494
493.40	52	18	363
455.54	29	56	202
475.49	27	36	190
391.21	25	120	173
339.30	13	172	90
335.44	12	176	84
287.24	11	224	79
222.86	11	289	74
450.90	10	60	70
235.45	10	276	67
255.25	9	256	62
401.39	9	110	61
249.25	8	262	56
411.39	8	100	55
463.65	8	48	54

Level: 3, プリカーサーm/z: 437.48871

Splash: splash10-014i-0277900000-1e39cfa45f2a18773468

m/z	Int.	NL	Rel.Int.
419.43	76	18	1000
293.31	27	144	356
367.37	22	70	294
409.38	15	28	203
225.22	15	212	201
213.05	14	224	184
297.33	13	140	171
381.37	13	56	168
395.39	11	42	147
309.43	11	128	145
401.53	9	36	122
197.05	8	240	107
351.22	8	86	106
295.23	8	142	99
182.93	8	255	99
157.26	7	280	97
339.13	7	98	89
393.43	7	44	85
211.08	6	226	82
239.42	6	198	81

FlavonoidSearch結果

Score	Symbolized Name	MSMS-Category	MSMS-Aglycone
0.235	[Isoflavone]-A(2OH, 1(C-Prenyl))-B(1OH, 1OMe, 1(C-Prenyl))	Isoflavone	2'-Methoxylupalbigenin
0.235	[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