ピーク情報

（かんきつ類）ゆず果汁生

pos

Peak #3152 MN MID: SE123_S071431_M90

m/z: 325.12835, RT: 44.35, 強度: 5732, ログ強度: 0.38, アダクト: [M+H]+, 共有数（同様のピークを含むサンプル数）: 4

DB検索結果: (6 names) Juglanoside A;(-)-Juglanoside A;Buergeriside C1;1-Deoxytetrahydrobostrycin;Methyl picrotoxate;(+)-Methyl picrotoxate

DBごとのヒット数: ALL 4 KN 4

FlavonoidSearch最大スコア MS2: 0.176, MS3: 0.200

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
C16H20O7	324.12090	0.532	Juglanoside A	KNApSAcK: C00031925
C16H20O7	324.12090	0.532	Buergeriside C1	KNApSAcK: C00036846
C16H20O7	324.12090	0.532	1-Deoxytetrahydrobostrycin	KNApSAcK: C00048582
C16H20O7	324.12090	0.532	Methyl picrotoxate	KNApSAcK: C00041061

MSnスペクトル情報

Level: 2, プリカーサーm/z: 325.12808

Splash: splash10-014i-0091000000-6106b02b21d3075b464f

m/z	Int.	NL	Rel.Int.
269.17	3774	56	1000
268.16	3011	57	797
289.06	1190	36	315
307.10	1180	18	312
306.44	460	19	121
221.05	402	104	106

FlavonoidSearch結果

Score	Symbolized Name	MSMS-Category	MSMS-Aglycone
0.176	[Flavanone]-A(2OH, 1(C-Prenyl))-B(none)	Flavanone	Glabranin
0.176	[Flavanone]-A(2OH, 1(C-Prenyl))-B(none)	Flavanone	5,7-Dihydroxy-6-C-prenylflavanone
0.176	[2'-Hydroxychalcone]-A(3OH, 1(C-Prenyl))-B(none)	2'-Hydroxychalcone	Desmethylisoxanthohumol
0.111	[Flavanone]-A(1OH, 1(C-Prenyl))-B(1OH)	Flavanone	Crotaramosmin
0.095	[Flavanone]-A(1OH, 1(C-Prenyl))-B(1OH)	Flavanone	Isobavachin
0.095	[Flavanone]-A(1OH, 1(C-Prenyl))-B(1OH)	Flavanone	Bavachin
0.095	[Flavanone]-A(1OH)-B(1OH, 1(C-Prenyl))	Flavanone	Abyssinone II
0.095	[2'-Hydroxychalcone]-A(2OH, 1(C-Prenyl))-B(1OH)	2'-Hydroxychalcone	Isobavachalcone
0.095	[2'-Hydroxychalcone]-A(2OH, 1(C-Prenyl))-B(1OH)	2'-Hydroxychalcone	Broussochalcone B
0.095	[2'-Hydroxychalcone]-A(2OH)-B(1OH, 1(C-Prenyl))	2'-Hydroxychalcone	Licoagrochalcone A
0.063	[Pterocarpan]-A(1OH, 1(C-Prenyl))-B(1OH)	Pterocarpan	2-Prenyldemethylmedicarpin
0.063	[Pterocarpan]-A(1OH)-B(1OH, 1(C-Prenyl))	Pterocarpan	8-Prenyldemethylmedicarpin
0.063	[Pterocarpan]-A(1OH)-B(1OH, 1(C-Prenyl))	Pterocarpan	Phaseollidin
0.000	[Chalcone]-A(1OH, 1([2,3:@@]-(6,6-Dimethyldihydropyrano)))-B(1OH)	Chalcone	Crotmadine
0.000	[2'-Hydroxychalcone]-A(1OH, 1([2,3:@@]-(5-(hydroxyisopropanyl)dihydrofurano)))-B(none)	2'-Hydroxychalcone	Flemistrictin E
0.000	[2'-Hydroxychalcone]-A(1OH, 1([2,3:@@]-(5-(hydroxyisopropanyl)dihydrofurano)))-B(none)	2'-Hydroxychalcone	Flemistrictin B
0.000	[2'-Hydroxychalcone]-A(1OH, 1([2,3:@@]-(6,6-Dimethyl-5-hydroxydihydropyrano)))-B(none)	2'-Hydroxychalcone	Flemistrictin F
0.000	[2'-Hydroxychalcone]-A(1OH, 1([2,3:@@]-(6,6-Dimethyl-5-hydroxydihydropyrano)))-B(none)	2'-Hydroxychalcone	Flemistrictin C
0.000	[2'-Hydroxychalcone]-A(1OH, 1([2,3:@@]-(6,6-Dimethyldihydropyrano)))-B(1OH)	2'-Hydroxychalcone	Dorsmanin A
0.000	[Dihydrochalcone]-A(2OH, 1([2,3:@@]-(6-Methyl-4,7-dihydrooxepino)))-B(none)	Dihydrochalcone	1-(2,5-dihydro-6,8-dihydroxy-3-methyl-1-benzoxepin-7-yl)-3-phenyl-1-propanone
0.000	[Flavanone]-A(1OH, 1(3-Hydroxy-3-methyl-1-butenyl))-B(none)	Flavanone	7-Hydroxy-8-C-(3-hydroxy-3-methyl-trans-buten-1-yl)flavanone
0.000	[Flavanone]-A(2OMe, 1([2,3:@@]-Furano))-B(none)	Flavanone	5,6-Dimethoxy-[2'',3'':7,8]furanoflavanone
0.000	[Isoflavanone]-A(1([2,3:@@]-Furano))-B(2OMe)	Isoflavanone	Neoraunone
0.000	[Isoflavan]-A(1OH)-B(1OH, 1([2,3:@@]-(5-Isopropenyldihydrofurano)))	Isoflavan	Crotmarine
0.000	[Isoflavan]-A(1([2,3:@@]-(6,6-Dimethylpyrano)))-B(2OH)	Isoflavan	Glabridin
0.000	[Isoflavan]-A(1OH)-B(1OH, 1([2,3:@@]-(6,6-Dimethylpyrano)))	Isoflavan	Phaseollinisoflavan
0.000	[Pterocarpan]-A(1([2,3:@@]-Furano))-B(2OMe)	Pterocarpan	Ambonane
0.000	[Pterocarpan-6a-ol]-A(1([2,3:@@]-Furano))-B(1([@@]-Methylenedioxy))	Pterocarpan-6a-ol	Neobanol

Level: 3, プリカーサーm/z: 269.13266

Splash: splash10-03di-0090000000-19c4611d43ce013b47f9

m/z	Int.	NL	Rel.Int.
213.08	1613	56	1000
212.01	559	57	346
253.10	96	16	59

Score	Symbolized Name	MSMS-Category	MSMS-Aglycone
0.200	[Flavone]-A(1OMe)-B(1OH)	Flavone	Isopratol
0.200	[Flavone]-A(1OH, 1OMe)-B(none)	Flavone	Trigraecum
0.200	[Flavone]-A(1OH)-B(1OMe)	Flavone	5-Hydroxy-2'-methoxyflavone
0.200	[Flavone]-A(1OH, 1OMe)-B(none)	Flavone	5-Hydroxy-6-methoxyflavone
0.200	[Flavone]-A(1OH)-B(1OMe)	Flavone	6-Hydroxy-4'-methoxyflavone
0.200	[Flavone]-A(1OH, 1OMe)-B(none)	Flavone	Tectochrysin
0.167	[Coumestan]-A(1OH)-B(1OH)	Coumestan	Coumestrol
0.063	[Flavonol]-A(none)-B(1OMe)	Flavonol	3-Hydroxy-4'-methoxyflavone
0.053	[Isoflavone]-A(1OH)-B(1OMe)	Isoflavone	Formononetin
0.053	[Isoflavone]-A(1OH)-B(1OMe)	Isoflavone	Pallidiflorin
0.053	[Isoflavone]-A(1OMe)-B(1OH)	Isoflavone	Isoformononetin
0.053	[Isoflavone]-A(1OH, 1OMe)-B(none)	Isoflavone	5-Hydroxy-7-methoxyisoflavone
0.000	[Aurone]-A(1OH, 1Methyl)-B(1OH)	Aurone	6,4'-Dihydroxy-7-methylaurone
0.000	[Flavanone]-A(1OH, 2Methyl)-B(none)	Flavanone	7-Hydroxy-6,8-di-C-methylflavanone
0.000	[Flavone]-A(2OH, 1Methyl)-B(none)	Flavone	Strobochrysin
0.000	[4-phenylcoumarin]-A(1OH, 1OMe)-B(none)	4-phenylcoumarin	Dalbergin
0.000	[4-phenylcoumarin]-A(1OH, 1OMe)-B(none)	4-phenylcoumarin	Isodalbergin

Level: 3, プリカーサーm/z: 268.10638

Splash: splash10-03di-0090000000-64c9a7c657391d384a0a

m/z	Int.	NL	Rel.Int.
212.06	865	56	1000
213.14	360	55	416