ピーク情報

イチョウ　葉

pos

Peak #10517 MN MID: SE205_S01_M90

m/z: 401.26868, RT: 85.99, 強度: 103731, ログ強度: 1.47, 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	0.108	3alpha-Angeloyloxy-18-hydroxy-ent-labd-8(17)-13E-dien-15-oic acid	KNApSAcK: C00023411
C25H38O5	418.27192	0.108	Simvastatin	HMDB: HMDB0005007, HMDB0257813
C25H38O5	418.27192	0.108	3alpha,12alpha-Dihydroxy-5beta-pregnan-20-one diacetate	KEGG: C15272
C25H38O5	418.27192	0.108		LipidMAPS: LMPK13070010
C25H38O5	418.27192	0.108	Acantholide D	KNApSAcK: C00043232, C00043233
C25H38O5	418.27192	0.108	MG(22:6(4Z,7Z,10Z,13E,15E,19Z)-OH(17)/0:0/0:0)	HMDB: HMDB0260504
C25H38O5	418.27192	0.108	12beta,16alpha,20-Trihydroxy-17-scalaren-19,20-olide	KNApSAcK: C00047636
C25H38O5	418.27192	0.108	Vibsanin S	KNApSAcK: C00044002
C25H38O5	418.27192	0.108	Salvimirzacolide	KNApSAcK: C00049834
C25H38O5	418.27192	0.108	Cavipetin D	HMDB: HMDB0030365 KNApSAcK: C00054225
C25H38O5	418.27192	0.108	MG(22:5(4Z,7Z,10Z,13Z,19Z)-O(16,17)/0:0/0:0)	HMDB: HMDB0260506
C25H38O5	418.27192	0.108	MG(0:0/22:5(4Z,7Z,10Z,13Z,19Z)-O(16,17)/0:0)	HMDB: HMDB0260558
C25H38O5	418.27192	0.108	Aplysinoplide B	KNApSAcK: C00038479
C25H38O5	418.27192	0.108	MG(22:6(4Z,7Z,10Z,12E,16Z,19Z)-OH(14)/0:0/0:0)	HMDB: HMDB0260503
C25H38O5	418.27192	0.108	Juruenolide F	KNApSAcK: C00031949
C25H38O5	418.27192	0.108	eurifoloid R	KNApSAcK: C00053001
C25H38O5	418.27192	0.108	MG(0:0/22:6(4Z,7Z,10Z,12E,16Z,19Z)-OH(14)/0:0)	HMDB: HMDB0260555
C25H38O5	418.27192	0.108	MG(0:0/22:6(4Z,7Z,10Z,13E,15E,19Z)-OH(17)/0:0)	HMDB: HMDB0260556
C25H38O5	418.27192	0.108	MG(22:6(4Z,8Z,10Z,13Z,16Z,19Z)-OH(7)/0:0/0:0)	HMDB: HMDB0260502
C25H38O5	418.27192	0.108	Acantholide C	KNApSAcK: C00043231
C25H38O5	418.27192	0.108	Petrosaspongiolide P	KNApSAcK: C00049887
C25H38O5	418.27192	0.108	Hyrtiolide	KNApSAcK: C00046771, C00047924
C25H38O5	418.27192	0.108	MG(0:0/22:6(5Z,7Z,10Z,13Z,16Z,19Z)-OH(4)/0:0)	HMDB: HMDB0260553
C25H38O5	418.27192	0.108	Pallinin	KNApSAcK: C00021396
C25H38O5	418.27192	0.108		LipidMAPS: LMPK13070009
C25H38O5	418.27192	0.108	6alpha-Angeloyloxy-7-oxo-13,14-dihydrokolavenic acid	KNApSAcK: C00022580
C25H38O5	418.27192	0.108	Vibsanin P	KNApSAcK: C00043999
C25H38O5	418.27192	0.108	MG(22:6(5Z,7Z,10Z,13Z,16Z,19Z)-OH(4)/0:0/0:0)	HMDB: HMDB0260501
C25H38O5	418.27192	0.108	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: 401.26825

Splash: splash10-000b-0942000000-d3d1bee8d2bb1aa3daec

m/z	Int.	NL	Rel.Int.
146.94	14610	254	1000
237.06	9777	164	669
383.30	6021	18	412
164.97	4288	236	293
122.98	2674	278	183
219.25	2016	182	137
137.13	1999	264	136
365.34	1216	36	83
289.18	1070	112	73
134.99	1008	266	68

FlavonoidSearch結果

Score	Symbolized Name	MSMS-Category	MSMS-Aglycone
0.087	[Flavanone]-A(1OH, 1OMe, 1(C-Prenyl))-B(2OH, 1OMe)	Flavanone	Kenusanone E
0.048	[Dihydroflavonol]-A(1OH, 1OMe, 1(C-Prenyl))-B(1OH, 1OMe)	Dihydroflavonol	3,5,4'-Trihydroxy-7,3'-dimethoxy-6-prenylflavanone
0.048	[Dihydroflavonol]-A(1OH, 1OMe, 1(C-Prenyl))-B(1OH, 1OMe)	Dihydroflavonol	Isotirumalin
0.048	[Dihydroflavonol]-A(1OH, 1OMe, 1(C-Prenyl))-B(1OH, 1OMe)	Dihydroflavonol	Scariosin
0.048	[Dihydroflavonol]-A(1OH, 1OMe, 1(C-Prenyl))-B(1OH, 1OMe)	Dihydroflavonol	Tirumalin
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: 146.95758

Splash: splash10-014i-0900000000-2ffeac5e28657f0635a7

m/z	Int.	NL	Rel.Int.
119.03	432	28	1000

Level: 3, プリカーサーm/z: 237.23685

Splash: splash10-00ri-3930000000-7be166a325f200316026

m/z	Int.	NL	Rel.Int.
219.22	222	18	1000
135.04	167	102	752
94.99	101	142	455
122.97	99	114	447
149.07	71	88	319
137.07	65	100	294
120.98	53	116	239
80.98	52	156	232
109.04	38	128	169
163.19	31	74	140
192.83	27	44	123
96.90	27	140	121
110.85	19	126	87
78.98	18	158	79

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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