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 #2484 MN MID: SE118_S070621_M90

m/z: 349.14902, RT: 35.03, 強度: 444412, ログ強度: 2.28, アダクト: [M+H]+, 共有数（同様のピークを含むサンプル数）: 15

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: 0.050, 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	-0.820	Deutziol	KNApSAcK: C00010538
C15H24O9	348.14203	-0.820	3,4-Dihydroaucubin	KNApSAcK: C00036513
C15H24O9	348.14203	-0.820	Phyllaemblic acid B	KNApSAcK: C00046299
C15H24O9	348.14203	-0.820	Angeloside	KNApSAcK: C00031598
C15H24O9	348.14203	-0.820	Ajugol	HMDB: HMDB0248074 KEGG: C17011 KNApSAcK: C00010600
C16H20O5N4	348.14337	-4.661	Porfiromycin	HMDB: HMDB0256703

MSnスペクトル情報

Level: 2, プリカーサーm/z: 349.14896

Splash: splash10-009i-0691000000-b73c299998c56e383681

m/z	Int.	NL	Rel.Int.
126.91	25456	222	1000
288.91	24838	60	975
271.11	13379	78	525
247.10	13229	102	519
186.96	6288	162	246
331.21	4263	18	167
144.94	3375	204	132
330.26	2955	19	116
270.43	2937	79	115
108.93	2869	240	112
126.16	2261	223	88
286.10	1720	63	67
252.83	1622	96	63
229.15	1296	120	50

Score	Symbolized Name	MSMS-Category	MSMS-Aglycone
0.105	[Dihydroflavonol]-A(2OH)-B(1OH, 2OMe)	Dihydroflavonol	Dihydrosyringetin
0.056	[Flavan 3-ol]-A(1OH, 1OMe)-B(1OH, 2OMe)	Flavan 3-ol	Gallocatechin 7,3',5'-trimethyl ether
0.037	[Flavonol]-A(3OH)-B(2OH, 1OMe)	Flavonol	3,6,7,8,3',4'-Hexahydroxy-5'-methoxyflavone
0.037	[Flavonol]-A(2OH, 1OMe)-B(3OH)	Flavonol	Hibiscetin 8-methyl ether
0.037	[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: 126.91226

Splash: splash10-052b-9400000000-cbcdf05746fdd8905897

m/z	Int.	NL	Rel.Int.
98.97	2763	28	1000
108.97	1853	18	670
80.92	774	46	279
71.00	219	56	79

Level: 3, プリカーサーm/z: 288.91321

Splash: splash10-00di-0690000000-0b310ccb59223a506524

m/z	Int.	NL	Rel.Int.
270.92	1189	18	1000
127.00	364	162	306
187.13	279	102	234
108.10	112	181	94
144.27	60	145	50

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