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 #2598 MN MID: SE118_S070621_M90

m/z: 349.14912, RT: 35.60, 強度: 12714, ログ強度: 0.74, アダクト: [M+H]+, 共有数（同様のピークを含むサンプル数）: 14

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: 0.048, MS3: 0.167

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	-0.545	Deutziol	KNApSAcK: C00010538
C15H24O9	348.14203	-0.545	3,4-Dihydroaucubin	KNApSAcK: C00036513
C15H24O9	348.14203	-0.545	Phyllaemblic acid B	KNApSAcK: C00046299
C15H24O9	348.14203	-0.545	Angeloside	KNApSAcK: C00031598
C15H24O9	348.14203	-0.545	Ajugol	HMDB: HMDB0248074 KEGG: C17011 KNApSAcK: C00010600
C16H20O5N4	348.14337	-4.387	Porfiromycin	HMDB: HMDB0256703

MSnスペクトル情報

Level: 2, プリカーサーm/z: 349.14868

Splash: splash10-002r-0692000000-fd268deb4330bb3b961f

m/z	Int.	NL	Rel.Int.
126.92	1359	222	1000
288.90	1339	60	985
270.95	803	78	591
247.12	655	102	481
186.91	410	162	301
331.18	399	18	293
330.20	257	19	189
144.95	171	204	126
108.99	110	240	80
252.98	108	96	79
286.00	102	63	75
229.20	89	120	65
332.31	85	17	62
312.39	73	37	53
162.97	68	186	50

Score	Symbolized Name	MSMS-Category	MSMS-Aglycone
0.100	[Dihydroflavonol]-A(2OH)-B(1OH, 2OMe)	Dihydroflavonol	Dihydrosyringetin
0.053	[Flavan 3-ol]-A(1OH, 1OMe)-B(1OH, 2OMe)	Flavan 3-ol	Gallocatechin 7,3',5'-trimethyl ether
0.036	[Flavonol]-A(3OH)-B(2OH, 1OMe)	Flavonol	3,6,7,8,3',4'-Hexahydroxy-5'-methoxyflavone
0.036	[Flavonol]-A(2OH, 1OMe)-B(3OH)	Flavonol	Hibiscetin 8-methyl ether
0.036	[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: 126.92045

Splash: splash10-0002-9200000000-9607b4c5e52e3577bf51

m/z	Int.	NL	Rel.Int.
98.99	204	28	1000
108.95	79	18	386
80.92	34	46	167
70.88	24	56	117

Level: 3, プリカーサーm/z: 288.90045

Splash: splash10-00di-0390000000-f2879e27f1d6133d6410

m/z	Int.	NL	Rel.Int.
270.93	71	18	1000
108.01	12	181	164
270.17	10	19	136
127.00	9	162	126
187.05	9	102	122
103.14	5	186	74

FlavonoidSearch結果

Score	Symbolized Name	MSMS-Category	MSMS-Aglycone
0.167	[Dihydroflavonol]-A(2OH)-B(1OH)	Dihydroflavonol	Aromadendrin
0.154	[2'-Hydroxychalcone]-A(3OH)-B(2OH)	2'-Hydroxychalcone	3,4,2',4',6'-Pentahydroxychalcone
0.143	[Flavanone]-A(2OH)-B(2OH)	Flavanone	5,7,2',6'-Tetrahydroxyflavanone
0.143	[Flavanone]-A(2OH)-B(2OH)	Flavanone	5,7,2',5'-Tetrahydroxyflavanone
0.143	[Flavanone]-A(2OH)-B(2OH)	Flavanone	Eriodictyol
0.143	[Flavanone]-A(2OH)-B(2OH)	Flavanone	Steppogenin
0.143	[Flavanone]-A(3OH)-B(1OH)	Flavanone	Carthamidin
0.143	[Flavanone]-A(3OH)-B(1OH)	Flavanone	Isocarthamidin
0.125	[Dihydrochalcone]-A(3OH)-B(1OMe)	Dihydrochalcone	2',4',6'-Trihydroxy-4-methoxydihydrochalcone
0.125	[2'-Hydroxychalcone]-A(2OH)-B(3OH)	2'-Hydroxychalcone	Robtein
0.125	[2'-Hydroxychalcone]-A(3OH)-B(2OH)	2'-Hydroxychalcone	Neoplathymenin
0.125	[2'-Hydroxychalcone]-A(3OH)-B(2OH)	2'-Hydroxychalcone	Okanin
0.118	[Flavanone]-A(2OH)-B(2OH)	Flavanone	Plathymenin
0.118	[Flavanone]-A(2OH)-B(2OH)	Flavanone	Isookanin
0.111	[Dihydroflavonol]-A(1OH)-B(2OH)	Dihydroflavonol	Fustin
0.111	[Dihydroflavonol]-A(2OH)-B(1OH)	Dihydroflavonol	3,5,7,2'-Tetrahydroxyflavanone
0.071	[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