ピーク情報

イチョウ　葉

pos

Peak #10618 MN MID: SE205_S01_M90

m/z: 401.26874, RT: 86.64, 強度: 119462, ログ強度: 1.53, アダクト: [M-H2O+H]+, 共有数（同様のピークを含むサンプル数）: 1

DB検索結果: (37 names) 3alpha-Angeloyloxy-18-hydroxy-ent-labd-8(17)-13E-dien-15-oic acid;Simvastatin;3alpha,12alpha-Dihydroxy-5beta-pregnan-20-one diacetate;;Acantholide D;(-)-Acantholide D;12beta,16alpha,20-Trihydroxy-17-s...

DBごとのヒット数: ALL 29 KG 1 KN 15 HM 11 LM 2

FlavonoidSearch最大スコア MS2: 0.087, 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
C25H38O5	418.27192	0.260	3alpha-Angeloyloxy-18-hydroxy-ent-labd-8(17)-13E-dien-15-oic acid	KNApSAcK: C00023411
C25H38O5	418.27192	0.260	Simvastatin	HMDB: HMDB0005007, HMDB0257813
C25H38O5	418.27192	0.260	3alpha,12alpha-Dihydroxy-5beta-pregnan-20-one diacetate	KEGG: C15272
C25H38O5	418.27192	0.260		LipidMAPS: LMPK13070010
C25H38O5	418.27192	0.260	Acantholide D	KNApSAcK: C00043232, C00043233
C25H38O5	418.27192	0.260	MG(22:6(4Z,7Z,10Z,13E,15E,19Z)-OH(17)/0:0/0:0)	HMDB: HMDB0260504
C25H38O5	418.27192	0.260	12beta,16alpha,20-Trihydroxy-17-scalaren-19,20-olide	KNApSAcK: C00047636
C25H38O5	418.27192	0.260	Vibsanin S	KNApSAcK: C00044002
C25H38O5	418.27192	0.260	Salvimirzacolide	KNApSAcK: C00049834
C25H38O5	418.27192	0.260	Cavipetin D	HMDB: HMDB0030365 KNApSAcK: C00054225
C25H38O5	418.27192	0.260	MG(22:5(4Z,7Z,10Z,13Z,19Z)-O(16,17)/0:0/0:0)	HMDB: HMDB0260506
C25H38O5	418.27192	0.260	MG(0:0/22:5(4Z,7Z,10Z,13Z,19Z)-O(16,17)/0:0)	HMDB: HMDB0260558
C25H38O5	418.27192	0.260	Aplysinoplide B	KNApSAcK: C00038479
C25H38O5	418.27192	0.260	MG(22:6(4Z,7Z,10Z,12E,16Z,19Z)-OH(14)/0:0/0:0)	HMDB: HMDB0260503
C25H38O5	418.27192	0.260	Juruenolide F	KNApSAcK: C00031949
C25H38O5	418.27192	0.260	eurifoloid R	KNApSAcK: C00053001
C25H38O5	418.27192	0.260	MG(0:0/22:6(4Z,7Z,10Z,12E,16Z,19Z)-OH(14)/0:0)	HMDB: HMDB0260555
C25H38O5	418.27192	0.260	MG(0:0/22:6(4Z,7Z,10Z,13E,15E,19Z)-OH(17)/0:0)	HMDB: HMDB0260556
C25H38O5	418.27192	0.260	MG(22:6(4Z,8Z,10Z,13Z,16Z,19Z)-OH(7)/0:0/0:0)	HMDB: HMDB0260502
C25H38O5	418.27192	0.260	Acantholide C	KNApSAcK: C00043231
C25H38O5	418.27192	0.260	Petrosaspongiolide P	KNApSAcK: C00049887
C25H38O5	418.27192	0.260	Hyrtiolide	KNApSAcK: C00046771, C00047924
C25H38O5	418.27192	0.260	MG(0:0/22:6(5Z,7Z,10Z,13Z,16Z,19Z)-OH(4)/0:0)	HMDB: HMDB0260553
C25H38O5	418.27192	0.260	Pallinin	KNApSAcK: C00021396
C25H38O5	418.27192	0.260		LipidMAPS: LMPK13070009
C25H38O5	418.27192	0.260	6alpha-Angeloyloxy-7-oxo-13,14-dihydrokolavenic acid	KNApSAcK: C00022580
C25H38O5	418.27192	0.260	Vibsanin P	KNApSAcK: C00043999
C25H38O5	418.27192	0.260	MG(22:6(5Z,7Z,10Z,13Z,16Z,19Z)-OH(4)/0:0/0:0)	HMDB: HMDB0260501
C25H38O5	418.27192	0.260	MG(0:0/22:6(4Z,8Z,10Z,13Z,16Z,19Z)-OH(7)/0:0)	HMDB: HMDB0260554

MSnスペクトル情報

Level: 2, プリカーサーm/z: 401.26843

Splash: splash10-000b-0943000000-c8bf6063edff854e8bdb

m/z	Int.	NL	Rel.Int.
147.02	7403	254	1000
237.14	4371	164	590
383.27	3694	18	499
165.01	2218	236	299
137.02	1090	264	147
123.03	1059	278	143
219.18	901	182	121
289.20	614	112	82
134.99	491	266	66
365.37	484	36	65
355.30	476	46	64
163.12	420	238	56
149.03	388	252	52

FlavonoidSearch結果

Score	Symbolized Name	MSMS-Category	MSMS-Aglycone
0.087	[Dihydroflavonol]-A(1OH, 1OMe, 1(C-Prenyl))-B(1OH, 1OMe)	Dihydroflavonol	3,5,4'-Trihydroxy-7,3'-dimethoxy-6-prenylflavanone
0.087	[Dihydroflavonol]-A(1OH, 1OMe, 1(C-Prenyl))-B(1OH, 1OMe)	Dihydroflavonol	Isotirumalin
0.087	[Dihydroflavonol]-A(1OH, 1OMe, 1(C-Prenyl))-B(1OH, 1OMe)	Dihydroflavonol	Scariosin
0.087	[Dihydroflavonol]-A(1OH, 1OMe, 1(C-Prenyl))-B(1OH, 1OMe)	Dihydroflavonol	Tirumalin
0.077	[Flavanone]-A(1OH, 1OMe, 1(C-Prenyl))-B(2OH, 1OMe)	Flavanone	Kenusanone E
0.000	[2'-Hydroxychalcone]-A(2OH)-B(1([2,3:@@]-(4-Formyl-5-(p-Hydroxyphenyl)furano)))	2'-Hydroxychalcone	Lophirone D
0.000	[Flavanone]-A(1OMe)-B(1([2,3:@@]-(5-(p-Methoxyphenyl)furano)))	Flavanone	Lophirone J
0.000	[Flavone]-A(2OH, 1(C-Digitoxopyranosyl))-B(1OH)	Flavone	Torosaflavone A
0.000	[Flavone]-A(2OH, 1(C-(beta-D-Oliosyl))-B(1OH)	Flavone	6-C-beta-D-Oliopyranosylapigenin
0.000	[Flavone]-A(2OH, 1(C-(beta-D-Boivinosyl))-B(1OH)	Flavone	6-C-beta-D-Boivinopyranosylapigenin
0.000	[Flavone]-A(2OH, 1(C-(beta-D-Epioliosyl))-B(1OH)	Flavone	6-C-beta-D-Epioliosylapigenin
0.000	[Dihydroflavonol]-A(2OH, 1OMe)-B(1OH)-C(1(O-Angeloyl))	Dihydroflavonol	3,5,7,4'-Tetrahydroxy-8-methoxyflavanone 3-O-angelate
0.000	[Flavonol]-A(1OH, 1([2,3:@@]-(4-Phenyl-4,5-dihydro-6-oxopyrano)))-B(none)	Flavonol	8-(2-Carboxy-1-phenylethyl)-3,5,7-trihydroxyflavone delta-lactone
0.000	[Flavonol]-A(2OH, 1(3-methylsuccinoyl))-B(1OH)	Flavonol	3,5,7,4'-Tetrahydroxy-8-C-(3-methylsuccinoyl)flavone
0.000	[Flavonol]-A(2OH, 1(3-hydroxy-3-methylbutyl))-B(1OMe)	Flavonol	Brevicornin
0.000	[Flavonol (3-OMe)]-A(1OMe, 1([@@]-Methylenedioxy))-B(1OMe, 1([@@]-Methylenedioxy))	Flavonol	3,5,3'-Trimethoxy-6,7:4',5'-bis(methylenedioxy)flavone
0.000	[Flavonol (3-OMe)]-A(2OMe, 1([@@]-Methylenedioxy))-B(1([@@]-Methylenedioxy))	Flavonol	3,5,8-Trimethoxy-6,7:3',4'-bis(methylenedioxy)flavone
0.000	[Isoflavanone-3-ol]-A(2OH)-B(2OMe, 1(C-Prenyl))	Isoflavanone-3-ol	Echinoisoflavanone
0.000	[Coumestan]-A(1OH)-B(1OH, 1OMe, 1(2,3-Dihydroxy-3-methylbutyl))	Coumestan	Mirificoumestan glycol

Level: 3, プリカーサーm/z: 146.94174

Splash: splash10-014i-0900000000-808f3c68134e4091d433

m/z	Int.	NL	Rel.Int.
119.01	392	28	1000
146.93	22	0	56

Level: 3, プリカーサーm/z: 237.06573

Splash: splash10-02ms-2910000000-73ff067e9aae75be969f

m/z	Int.	NL	Rel.Int.
219.24	80	18	1000
163.19	70	74	882
135.10	61	102	761
123.09	59	114	741
149.11	46	88	578
81.00	43	156	536
95.03	34	142	428
121.07	27	116	333
137.05	22	100	270
177.01	21	60	263
111.05	21	126	262
140.74	18	96	219
79.00	11	158	140
82.62	9	154	117
124.78	9	112	111
129.13	8	108	102
153.30	7	84	87
98.83	6	138	70
126.99	5	110	66
109.09	4	128	55

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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