ピーク情報

ポプラ, 幼植物, 地上部

pos

Peak #8142 MN MID: SE205_S08_M90

m/z: 607.34789, RT: 74.91, 強度: 88195, ログ強度: 1.35, アダクト: [M-H2O+H]+, 共有数（同様のピークを含むサンプル数）: 7

DB検索結果: (8 names) 3-O-(beta-D-glucopyranosyl)-2beta,3beta,20,22R-tetrahydroxy-14alpha,15alpha-epoxy-5beta-cholest-7-en-6-one;3-O-(Rhaa1-2Glcb)-3beta-hydroxy-pregna-5,16-dien-20-one;Simplexin E;(+)-Simplexin E;Caribenol...

DBごとのヒット数: ALL 7 KG 1 KN 1 LM 5

FlavonoidSearch最大スコア MS2: -, MS3: 0.065

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
C33H52O11	624.35096	0.349	3-O-(beta-D-glucopyranosyl)-2beta,3beta,20,22R-tetrahydroxy-14alpha,15alpha-epoxy-5beta-cholest-7-en-6-one	LipidMAPS: LMST01010432
C33H52O11	624.35096	0.349	3-O-(Rhaa1-2Glcb)-3beta-hydroxy-pregna-5,16-dien-20-one	LipidMAPS: LMST02030217
C33H52O11	624.35096	0.349	Simplexin E	KNApSAcK: C00047572
C33H52O11	624.35096	0.349	Caribenolide I	KEGG: C20007
C33H52O11	624.35096	0.349	(3beta, 5beta)-pregn-16(17)-en-3-ol-20-one 3-O-alpha-l-rhamnopyranosyl-(1-4)-beta-d-glucopyranoside	LipidMAPS: LMST02030244
C33H52O11	624.35096	0.349	(3beta, 5beta)-pregn-16(17)-en-3-ol-20-one 3-O-alpha-l-rhamnopyranosyl-(1-2)-beta-d-glucopyranoside	LipidMAPS: LMST02030245
C33H52O11	624.35096	0.349	3-O-(Rhaa1-4Glcb)-3beta-hydroxy-pregna-5,16-dien-20-one	LipidMAPS: LMST02030218

MSnスペクトル情報

Level: 2, プリカーサーm/z: 607.34723

Splash: splash10-000j-0029270000-b78a5ab9a2cb03acbfb4

m/z	Int.	NL	Rel.Int.
395.27	2744	212	1000
589.35	1733	18	631
339.23	1018	268	371
463.33	905	144	329
571.36	693	36	252
377.24	495	230	180
269.08	486	338	177
267.08	484	340	176
529.25	428	78	155
553.42	349	54	127
303.09	346	304	126
511.23	309	96	112
321.16	299	286	109
195.16	278	412	101
515.54	262	92	95
487.43	253	120	92
479.29	249	128	90
547.51	235	60	85
359.14	224	248	81
297.17	189	310	68

Score	Symbolized Name	MSMS-Category	MSMS-Aglycone
0.000	[Flavone]-A(2OH, 1(1(O-Acetyl)-C-Glu), 1(C-Xylosyl))-B(1OH)	Flavone	Vicenin-1 6''-O-acetate

Level: 3, プリカーサーm/z: 395.26813

Splash: splash10-000i-0229000000-54361d70868c07922ec9

m/z	Int.	NL	Rel.Int.
339.24	420	56	1000
377.09	55	18	131
182.92	48	212	113
269.23	43	126	102
177.04	34	218	82
303.22	31	92	74
135.06	30	260	71
215.19	24	180	57
160.99	24	234	56
251.15	23	144	55
267.09	22	128	52
275.33	22	120	51

FlavonoidSearch結果

Score	Symbolized Name	MSMS-Category	MSMS-Aglycone
0.065	[Isoflavone]-A(1([2,3:@@]-(6,6-Dimethylpyrano)))-B(3OMe)	Isoflavone	Barbigerone
0.000	[Flavan 3-ol]-A(2OH)-B(2OH)-C(1(O-Benzoyl))	Flavan 3-ol	Catechin 3-O-benzoate
0.000	[Dihydrochalcone]-A(2OH)-B(1OH, 2(C-Prenyl))	Dihydrochalcone	Gancaonin J
0.000	[Dihydrochalcone]-A(2OH)-B(1OH, 1Geranyl)	Dihydrochalcone	3-Geranyl-4,2',4'-trihydroxydihydrochalcone
0.000	[Dihydrochalcone]-A(3OH, 2(C-Prenyl))-B(none)	Dihydrochalcone	2',4',6'-Trihydroxy-3',5'-diprenyldihydrochalcone
0.000	[Dihydrochalcone]-A(3OH, 1(6-Isopropyl-3-methyl-2-cyclohexenyl))-B(none)	Dihydrochalcone	Linderatin
0.000	[Flavanone]-A(1([2,3:@@]-(5,5-Dimethyl-4-acetoxy-4,5,3a,6a-tetrahydro-furo[2,3-b]furano)))-B(none)	Flavanone	Purpurin
0.000	[Flavanone]-A(1OMe, 1(C-Prenyl), 1([2,3:@@]-Furano))-B(2OH)	Flavanone	3',4'-Dihydroxy-7-methoxy-8-prenyl-[2'',3'':5,6]furanoflavanone
0.000	[Flavone]-A(1OH, 1([2,3:@@]-(4-Methyl-5-hydoxy-3a,6a-dihydro-6-oxocyclopenta[b]furano)))-B(2OH)	Flavone	Demethyltorosaflavone C
0.000	[Flavone]-A(1OH, 1OMe, 2Methyl)-B(1OH, 1([2,3:@@]-(6,6-Dimethylpyrano)))	Flavone	Muxiangrin I
0.000	[Dihydroflavonol]-A(2OH, 1(p-Hydroxybenzyl))-B(1OH)	Dihydroflavonol	Gericudranin E
0.000	[Flavonol (3-OMe)]-A(1OMe, 1Methyl, 1([2,3:@@]-(5-Isopropenyldihydrofurano)))-B(1OH)	Flavonol	8-C-Methylvellokaempferol 3,5-dimethyl ether
0.000	[Flavan]-A(1OH)-B(2OH, 2(C-Prenyl))	Flavan	Kazinol A
0.000	[Rotenone]-A(1([2,3:@@]-(5-Isopropenyldihydrofurano)))-B(2OMe)	Rotenone	Rotenone
0.000	[Rotenone]-A(1OH, 1(Penta-1,4-dienyl))-B(2OMe)	Rotenone	Myriconol
0.000	[Rotenone]-A(1([2,3:@@]-(6,6-Dimethylpyrano)))-B(2OMe)	Rotenone	Deguelin
0.000	[12a-Hydroxyrotenone]-A(1([2,3:@@]-(5-Isopropenyldihydrofurano)))-B(1([@@]-Methylenedioxy))	12a-Hydroxyrotenone	12a-Hydroxyisomillettone
0.000	[12a-Hydroxyrotenone]-A(1([2,3:@@]-(6,6-Dimethylpyrano)))-B(1([@@]-Methylenedioxy))	12a-Hydroxyrotenone	Millettosin
0.000	[Dehydrorotenone]-A(1([2,3:@@]-(5-Isopropyldihydrofurano)))-B(2OMe)	Dehydrorotenone	Dehydrodihydrorotenone
0.000	[4-Hydroxy-3-phenylcoumarin (4-OMe)]-A(1OMe, 1([2,3:@@]-(6,6-Dimethylpyrano)))-B(1OMe)	4-Hydroxy-3-phenylcoumarin	Robustic acid methyl ether
0.000	[4-Hydroxy-3-phenylcoumarin]-A(1OMe, 1([@@]-Methylenedioxy))-B(1([2,3:@@]-(6,6-Dimethylpyrano)))	4-Hydroxy-3-phenylcoumarin	Robustin
0.000	[4-Hydroxy-3-phenylcoumarin]-A(1OMe, 1([@@]-Methylenedioxy))-B(1([2,3:@@]-(6,6-Dimethylpyrano)))	4-Hydroxy-3-phenylcoumarin	Isorobustin

Level: 3, プリカーサーm/z: 589.35309

Splash: splash10-0100-0254290000-ef22f42b1b675c17d854

m/z	Int.	NL	Rel.Int.
571.37	148	18	1000
269.25	50	320	340
553.70	50	36	338
395.18	42	194	286
479.43	41	110	279
377.16	38	212	260
529.44	37	60	248
209.21	34	380	227
267.26	28	322	192
517.32	28	72	190
341.14	28	248	190
168.73	28	421	188
497.26	27	92	185
533.41	23	56	154
333.28	21	256	143
185.15	20	404	134
287.05	20	302	132
297.26	19	292	130
261.34	19	328	130
195.06	18	394	120

ピーク番号	保持時間 (min)	m/z	m/z差分	ログ強度	アダクト	DB検索結果	ヒット数	MSn	FS2	FS3	共有数
	74.95	625.35858	18.0107	0.66	[M+H]+	(8 names) 3-O-(beta-D-glucopyranosyl)-2beta,3beta,20,22R-tetrahydroxy-14alpha,15alpha-epoxy-5beta-cholest-7-en-6-one; 3-O-(Rhaa1-2Glcb)-3beta-hydroxy-pregna-5,16-dien-20-one; Simplexin E; (+)-Simplexin E; Caribenol...	ALL 7 KG 1 KN 1 LM 5				7
8142	74.91	607.34789	0.0000	1.35	[M-H2O+H]+	(8 names) 3-O-(beta-D-glucopyranosyl)-2beta,3beta,20,22R-tetrahydroxy-14alpha,15alpha-epoxy-5beta-cholest-7-en-6-one; 3-O-(Rhaa1-2Glcb)-3beta-hydroxy-pregna-5,16-dien-20-one; Simplexin E; (+)-Simplexin E; Caribenol...	ALL 7 KG 1 KN 1 LM 5	MS2 MS3 x 2		0.065	7

ピーク情報

DB検索結果

MSnスペクトル情報

FlavonoidSearch結果

FlavonoidSearch結果

FlavonoidSearch結果

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