ピーク情報

（かんきつ類）グレープフルーツ白肉種砂じょう生

pos

Peak #2675 MN MID: SE118_S070621_M90

m/z: 349.14938, RT: 35.96, 強度: 43645, ログ強度: 1.27, アダクト: [M+H]+, 共有数（同様のピークを含むサンプル数）: 13

DB検索結果: (7 names) Deutziol;3,4-Dihydroaucubin;Phyllaemblic acid B;(+)-Phyllaemblic acid B;Angeloside;Ajugol;Porfiromycin

DBごとのヒット数: ALL 6 KG 1 KN 4 HM 1

FlavonoidSearch最大スコア MS2: 0.056, MS3: 0.182

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
C15H24O9	348.14203	0.215	Deutziol	KNApSAcK: C00010538
C15H24O9	348.14203	0.215	3,4-Dihydroaucubin	KNApSAcK: C00036513
C15H24O9	348.14203	0.215	Phyllaemblic acid B	KNApSAcK: C00046299
C15H24O9	348.14203	0.215	Angeloside	KNApSAcK: C00031598
C15H24O9	348.14203	0.215	Ajugol	HMDB: HMDB0248074 KEGG: C17011 KNApSAcK: C00010600
C16H20O5N4	348.14337	-3.627	Porfiromycin	HMDB: HMDB0256703

MSnスペクトル情報

Level: 2, プリカーサーm/z: 349.14896

Splash: splash10-004r-0791000000-f293b8f4d4f90493ffe1

m/z	Int.	NL	Rel.Int.
126.84	4839	222	1000
289.09	3418	60	706
247.02	2287	102	472
271.14	1819	78	375
186.93	1049	162	216
331.25	882	18	182
330.20	707	19	146
270.52	548	79	113
144.93	528	204	109
108.95	429	240	88
288.38	389	61	80
252.95	307	96	63

Score	Symbolized Name	MSMS-Category	MSMS-Aglycone
0.118	[Dihydroflavonol]-A(2OH)-B(1OH, 2OMe)	Dihydroflavonol	Dihydrosyringetin
0.063	[Flavan 3-ol]-A(1OH, 1OMe)-B(1OH, 2OMe)	Flavan 3-ol	Gallocatechin 7,3',5'-trimethyl ether
0.040	[Flavonol]-A(3OH)-B(2OH, 1OMe)	Flavonol	3,6,7,8,3',4'-Hexahydroxy-5'-methoxyflavone
0.040	[Flavonol]-A(2OH, 1OMe)-B(3OH)	Flavonol	Hibiscetin 8-methyl ether
0.040	[Flavonol]-A(4OH)-B(1OH, 1OMe)	Flavonol	3,5,6,7,8,4'-Hexahydroxy-3'-methoxyflavone
0.000	[Coumestan]-A(1OMe)-B(1([2,3:@@]-(6,6-Dimethylpyrano)))	Coumestan	Tuberostan
0.000	[Dihydroflavonol]-A(2OH, 1OMe)-B(1OH, 1OMe)	Dihydroflavonol	3,5,7,3'-Tetrahydroxy-8,4'-dimethoxyflavanone
0.000	[Dihydroflavonol]-A(1OH, 2OMe)-B(2OH)	Dihydroflavonol	Dihydrogossypetin 7,8-dimethyl ether
0.000	[Isoflavan]-A(2OH, 1OMe)-B(1OH, 2OMe)	Isoflavan	Machaerol C
0.000	[Flavone]-A(1([@@]-Methylenedioxy))-B(1([2,3:@@]-(6,6-Dimethylpyrano)))	Flavone	6'',6''-Dimethyl-3',4'-methylenedioxypyrano[2'',3'':7,8]flavone
0.000	[Flavone]-A(2OMe, 1(3-Methylbutadienyl))-B(none)	Flavone	trans-Anhydrotephrostachin
0.000	[Dihydroflavonol]-A(2OH, 2Methyl)-B(3OH)	Dihydroflavonol	3,5,7,3',4',5'-Hexahydroxy-6,8-dimethylflavanone
0.000	[4-substituted Flavan 3-ol (4-Carboxymethyl)]-A(2OH)-B(2OH)	4-substituted Flavan 3-ol	Dryopteric acid
0.000	[Isoflavone]-A(1([@@]-Methylenedioxy))-B(1([2,3:@@]-(6,6-Dimethylpyrano)))	Isoflavone	Calopogoniumisoflavone B
0.000	[Pterocarpan]-A(1([2,3:@@]-Furano))-B(1OH, 1(C-Prenyl))	Pterocarpan	Erybraedin E

Level: 3, プリカーサーm/z: 126.83956

Splash: splash10-0002-9200000000-f2ab7945e43d5fb0c469

m/z	Int.	NL	Rel.Int.
98.98	459	28	1000
108.99	158	18	345
70.85	49	56	106

Level: 3, プリカーサーm/z: 289.08746

Splash: splash10-00fr-0960000000-74f34e1fbb6d90054e89

m/z	Int.	NL	Rel.Int.
271.05	211	18	1000
126.86	174	162	822
187.14	76	102	357
144.88	25	144	118
108.90	20	180	96

FlavonoidSearch結果

Score	Symbolized Name	MSMS-Category	MSMS-Aglycone
0.182	[Dihydroflavonol]-A(2OH)-B(1OH)	Dihydroflavonol	Aromadendrin
0.167	[2'-Hydroxychalcone]-A(3OH)-B(2OH)	2'-Hydroxychalcone	3,4,2',4',6'-Pentahydroxychalcone
0.154	[Flavanone]-A(2OH)-B(2OH)	Flavanone	5,7,2',6'-Tetrahydroxyflavanone
0.154	[Flavanone]-A(2OH)-B(2OH)	Flavanone	5,7,2',5'-Tetrahydroxyflavanone
0.154	[Flavanone]-A(2OH)-B(2OH)	Flavanone	Eriodictyol
0.154	[Flavanone]-A(2OH)-B(2OH)	Flavanone	Steppogenin
0.154	[Flavanone]-A(3OH)-B(1OH)	Flavanone	Carthamidin
0.154	[Flavanone]-A(3OH)-B(1OH)	Flavanone	Isocarthamidin
0.143	[Dihydrochalcone]-A(3OH)-B(1OMe)	Dihydrochalcone	2',4',6'-Trihydroxy-4-methoxydihydrochalcone
0.133	[2'-Hydroxychalcone]-A(2OH)-B(3OH)	2'-Hydroxychalcone	Robtein
0.133	[2'-Hydroxychalcone]-A(3OH)-B(2OH)	2'-Hydroxychalcone	Neoplathymenin
0.133	[2'-Hydroxychalcone]-A(3OH)-B(2OH)	2'-Hydroxychalcone	Okanin
0.125	[Dihydroflavonol]-A(1OH)-B(2OH)	Dihydroflavonol	Fustin
0.125	[Dihydroflavonol]-A(2OH)-B(1OH)	Dihydroflavonol	3,5,7,2'-Tetrahydroxyflavanone
0.125	[Flavanone]-A(2OH)-B(2OH)	Flavanone	Plathymenin
0.125	[Flavanone]-A(2OH)-B(2OH)	Flavanone	Isookanin
0.077	[Isoflavanone]-A(2OH)-B(2OH)	Isoflavanone	Dalbergioidin
0.000	[Dihydrochalcone]-A(1OH)-B(2OH, 1OMe)	Dihydrochalcone	Loureirin D
0.000	[Dihydrochalcone]-A(2OH, 1OMe)-B(1OH)	Dihydrochalcone	Asebogenin
0.000	[Dihydrochalcone]-A(2OH, 1OMe)-B(1OH)	Dihydrochalcone	4,2',4'-Trihydroxy-6'-methoxydihydrochalcone
0.000	[Dihydrochalcone]-A(1OH, 1OMe)-B(2OH)	Dihydrochalcone	Dihydrocalythropsin
0.000	[Dihydrochalcone]-A(2OH)-B(1OH, 1OMe)	Dihydrochalcone	4,2',4'-Trihydroxy-3-methoxydihydrochalcone
0.000	[Auronol]-A(1OH)-B(2OH)	Auronol	2,6,3',4'-Tetrahydroxy-2-benzylcoumaranone
0.000	[Auronol]-A(2OH)-B(1OH)	Auronol	Maesopsin
0.000	[alpha-Hydroxychalcone]-A(2OH)-B(2OH)	alpha-Hydroxychalcone	3,4,2',4',alpha-Pentahydroxychalcone
0.000	[Dihydrochalcone alpha-ol]-A(1OH, 1OMe)-B(1OH)	Dihydrochalcone alpha-ol	4,4',alpha-Trihydroxy-2'-methoxydihydrochalcone
0.000	[Dihydrochalcone alpha-ol]-A(2OH)-B(1OMe)	Dihydrochalcone alpha-ol	2',4',alpha-Trihydroxy-4-methoxydihydrochalcone
0.000	[2-Hydroxyflavanone]-A(2OH)-B(1OH)	2-Hydroxyflavanone	2,5,7,4'-Tetrahydroxyflavanone
0.000	[CCS-type derivative / [4,2']-Epoxyflavan 3-ol]-A(2OH)-B(1OH)	CCS-type derivative / [4,2']-Epoxyflavan 3-ol	Cyanomaclurin
0.000	[CCS-type derivative / [4,2']-Epoxyflavan 3-ol]-A(1OH)-B(2OH)	CCS-type derivative / [4,2']-Epoxyflavan 3-ol	6,12-Mehthano-6H,12H-dibenzo[b,f][1,5]dioxocin-2,3,9,13-tetrol
0.000	[Flavan]-A(1OH)-B(2OH, 1OMe)	Flavan	7,3',5'-Trihydroxy-4'-methoxyflavan