ピーク情報

イチョウ　葉

pos

Peak #11259 MN MID: SE205_S01_M90

m/z: 434.29025, RT: 89.83, 強度: 225932, ログ強度: 1.81, アダクト: [M+NH4]+, 共有数（同様のピークを含むサンプル数）: 1

DB検索結果: (34 names) 3alpha-Angeloyloxy-18-hydroxy-ent-labd-8(17)-13dien-15,16-olide;seco-Manoalide;Macrolactin M;Petrosaspongiolide R;2alpha,17beta-Dihydroxyandrost-4-en-3-one dipropionate;2alpha-Hydroxytestosterone dipr...

DBごとのヒット数: ALL 25 KG 3 KN 21 HM 1

FlavonoidSearch最大スコア MS2: -, MS3: -

DB検索結果

ppm

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
C25H36O5	416.25627	0.358	3alpha-Angeloyloxy-18-hydroxy-ent-labd-8(17)-13dien-15,16-olide	KNApSAcK: C00023412
C25H36O5	416.25627	0.358	seco-Manoalide	KNApSAcK: C00040268
C25H36O5	416.25627	0.358	Macrolactin M	KNApSAcK: C00015939
C25H36O5	416.25627	0.358	Petrosaspongiolide R	KNApSAcK: C00049889
C25H36O5	416.25627	0.358	2alpha,17beta-Dihydroxyandrost-4-en-3-one dipropionate	KEGG: C15290
C25H36O5	416.25627	0.358	Vibsanin T	KNApSAcK: C00044003
C25H36O5	416.25627	0.358	16alpha,17beta-Dihydroxyandrost-4-en-3-one dipropionate	KEGG: C15289
C25H36O5	416.25627	0.358	Manoalide	HMDB: HMDB0254329 KEGG: C17156 KNApSAcK: C00039732 LipidMAPS: LMPR0105020001
C25H36O5	416.25627	0.358	Lupulone E	KNApSAcK: C00042712
C25H36O5	416.25627	0.358	Vibsanin B	KNApSAcK: C00031436
C25H36O5	416.25627	0.358	Neovibsanin F	KNApSAcK: C00041695
C25H36O5	416.25627	0.358	Colupox a	HMDB: HMDB0039596 KNApSAcK: C00053023
C25H36O5	416.25627	0.358	Boletinin I	KNApSAcK: C00054221
C25H36O5	416.25627	0.358	Luffariellin B	KNApSAcK: C00039660
C25H36O5	416.25627	0.358	Luffariolide J	KNApSAcK: C00046095
C25H36O5	416.25627	0.358	Caseamembrin F	KNApSAcK: C00043356
C25H36O5	416.25627	0.358	Garcinielliptone HC	KNApSAcK: C00033855, C00033856
C25H36O5	416.25627	0.358	Luffariellin A	KNApSAcK: C00039659
C25H36O5	416.25627	0.358	Gutierrezianolic acid 2-methylbutyrate	KNApSAcK: C00022647
C25H36O5	416.25627	0.358	(-)-S 15183a	KNApSAcK: C00015946
C25H36O5	416.25627	0.358	Blazeispirol G	KNApSAcK: C00036813
C25H36O5	416.25627	0.358	Colupox b	HMDB: HMDB0039598
C25H36O5	416.25627	0.358	Vibsanin C	KNApSAcK: C00033479
C25H36O5	416.25627	0.358	Monascusazaphilol	KNApSAcK: C00053505
C25H36O5	416.25627	0.358	Vibsanin E	KNApSAcK: C00033478

MSnスペクトル情報

Level: 2, プリカーサーm/z: 434.28955

Splash: splash10-014i-0060900000-6180f713ad88f6c1927c

m/z	Int.	NL	Rel.Int.
416.83	22430	17	1000
235.14	8500	199	378
253.19	5557	181	247
399.26	1503	35	66
252.59	1275	182	56

Level: 3, プリカーサーm/z: 235.14050

Splash: splash10-0079-1920000000-aa75371d3c13596a5d92

m/z	Int.	NL	Rel.Int.
135.09	1820	100	1000
121.02	1548	114	850
217.25	900	18	494
80.92	180	154	98
92.91	162	142	88
95.08	159	140	87
147.08	152	88	83
109.00	145	126	79
106.94	131	128	72
175.22	124	60	68

Level: 3, プリカーサーm/z: 416.82788

Splash: splash10-0079-0793000000-e7fee6864158068cdc3c

m/z	Int.	NL	Rel.Int.
235.31	69	182	1000
147.01	43	270	622
356.55	34	60	497
123.14	29	294	416
340.25	20	77	282
135.08	18	282	257
217.27	17	200	245
121.10	16	296	227
284.28	15	133	209
253.18	14	164	200
252.56	11	164	155

Symbolized Name	MSMS-Category	MSMS-Aglycone
[Isoflavone]-A(1([2,3:@@]-(6,6-Dimethylpyrano)))-B(1OMe, 1([2,3:@@]-(6,6-Dimethylpyrano)))	Isoflavone	Munetone
[Flavone]-A(1OH, 1(C-Glu))-B(1OH)	Flavone	Bayin
[Flavone]-A(2OH, 1(C-Glu))-B(none)	Flavone	Chrysin 6-C-beta-D-glucopyranoside
[Flavone]-A(2OH, 1(C-Glu))-B(none)	Flavone	Chrysin 8-C-beta-D-glucopyranoside
[Isoflavone]-A(1OH, 1(C-Glu))-B(1OH)	Isoflavone	8-Glucosyldaidzein
[Flavone]-A(1OH, 1OMe, 1(C-Arabinosyl))-B(1OH)	Flavone	Isomolludistin
[Flavone]-A(1OH, 1OMe, 1(C-Arabinosyl))-B(1OH)	Flavone	Molludistin
[Flavone]-A(2OH, 1(C-Rhamnosyl))-B(1OH)	Flavone	Isofurcatain
[Flavone]-A(4OMe)-B(1OMe, 1([@@]-Methylenedioxy))	Flavone	Eupalestin
[Flavonol]-A(1OH, 1([2,3:@@]-(4-(p-Hydroxyphenyl)-6-oxodihydropyrano)))-B(1OH)	Flavonol	Calomelanol D
[Flavonol (3-OMe)]-A(2OH, 1OMe)-B(1OH, 1(3-hydroxy-3-methylbutyl))	Flavonol	Aliarin
[Flavonol]-A(1OH, 2OMe)-B(1OH, 1(4-hydroxy-3-methylbutyl))	Flavonol	3,7-Dihydroxy-2-[4-hydroxy-3-(4-hydroxy-3-methylbutyl)phenyl]-5,6-dimethoxy-4H-1-benzopyran-4-one
[Flavonol (3-OMe)]-A(4OMe)-B(1([@@]-Methylenedioxy))	Flavonol	Melibentin
[Flavonol (3-OMe)]-A(2OMe, 1([@@]-Methylenedioxy))-B(2OMe)	Flavonol	Melicophyllin
[6-Hydroxyrotenone]-A(1OH, 1OMe)-B(2OMe)-C(1(O-Acetyl))	6-Hydroxyrotenone	Dihydrostemonal 6-O-acetate
[4-phenylcoumarin]-A(1OMe, 1([2,3:@@]-(6,6-Dimethylpyrano)), 1Tiglyl)-B(none)	4-phenylcoumarin	Apetalolide

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

関連ピーク情報

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
	89.60	439.24582	4.9556	1.17	[M+Na]+	(34 names) 3alpha-Angeloyloxy-18-hydroxy-ent-labd-8(17)-13dien-15,16-olide; seco-Manoalide; Macrolactin M; Petrosaspongiolide R; 2alpha,17beta-Dihydroxyandrost-4-en-3-one dipropionate; 2alpha-Hydroxytestosterone dipr...	ALL 25 KG 3 KN 21 HM 1				1
11259	89.83	434.29025	0.0000	1.81	[M+NH4]+	(34 names) 3alpha-Angeloyloxy-18-hydroxy-ent-labd-8(17)-13dien-15,16-olide; seco-Manoalide; Macrolactin M; Petrosaspongiolide R; 2alpha,17beta-Dihydroxyandrost-4-en-3-one dipropionate; 2alpha-Hydroxytestosterone dipr...	ALL 25 KG 3 KN 21 HM 1	MS2 MS3 x 2			1