ピーク情報

（かんきつ類）ゆず果汁生

pos

Peak #1966 MN MID: SE123_S071431_M90

m/z: 349.14917, RT: 34.98, 強度: 3447, ログ強度: 0.16, 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: 0.059, 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	-0.408	Deutziol	KNApSAcK: C00010538
C15H24O9	348.14203	-0.408	3,4-Dihydroaucubin	KNApSAcK: C00036513
C15H24O9	348.14203	-0.408	Phyllaemblic acid B	KNApSAcK: C00046299
C15H24O9	348.14203	-0.408	Angeloside	KNApSAcK: C00031598
C15H24O9	348.14203	-0.408	Ajugol	HMDB: HMDB0248074 KEGG: C17011 KNApSAcK: C00010600
C16H20O5N4	348.14337	-4.249	Porfiromycin	HMDB: HMDB0256703

MSnスペクトル情報

Level: 2, プリカーサーm/z: 349.14908

Splash: splash10-004r-0971000000-086ccbb61f80ccc910a9

m/z	Int.	NL	Rel.Int.
126.95	1425	222	1000
288.85	695	60	487
247.08	509	102	357
271.06	389	78	273
331.07	305	18	213
187.00	291	162	204
144.83	156	204	109
108.96	135	240	94
340.00	123	9	86
270.45	96	79	67
205.01	91	144	63

Score	Symbolized Name	MSMS-Category	MSMS-Aglycone
0.125	[Dihydroflavonol]-A(2OH)-B(1OH, 2OMe)	Dihydroflavonol	Dihydrosyringetin
0.071	[Dihydroflavonol]-A(2OH, 1OMe)-B(1OH, 1OMe)	Dihydroflavonol	3,5,7,3'-Tetrahydroxy-8,4'-dimethoxyflavanone
0.071	[Dihydroflavonol]-A(1OH, 2OMe)-B(2OH)	Dihydroflavonol	Dihydrogossypetin 7,8-dimethyl ether
0.067	[Flavan 3-ol]-A(1OH, 1OMe)-B(1OH, 2OMe)	Flavan 3-ol	Gallocatechin 7,3',5'-trimethyl ether
0.042	[Flavonol]-A(3OH)-B(2OH, 1OMe)	Flavonol	3,6,7,8,3',4'-Hexahydroxy-5'-methoxyflavone
0.042	[Flavonol]-A(2OH, 1OMe)-B(3OH)	Flavonol	Hibiscetin 8-methyl ether
0.042	[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	[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: 127.00491

Splash: splash10-052b-9400000000-486164d9e8de2519854d

m/z	Int.	NL	Rel.Int.
98.91	134	28	1000
108.98	101	18	753
80.90	34	46	255
70.89	24	56	177
85.12	8	42	56

Level: 3, プリカーサーm/z: 288.90424

Splash: splash10-00fr-0980000000-b2ca2477fc6629923598

m/z	Int.	NL	Rel.Int.
270.87	57	18	1000
126.84	36	162	625
144.82	13	144	227
186.92	9	102	149
109.13	8	180	131
273.12	5	16	83

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