ピーク情報

さくらんぼ国産生

pos

Peak #2667 MN MID: SE118_S070701_M90

m/z: 475.19215, RT: 35.81, 強度: 17670, ログ強度: 0.81, アダクト: [M+NH4]+, 共有数（同様のピークを含むサンプル数）: 5

DB検索結果: (6 names) Amygdalin;Calanthoside;Calanthoside A; Glucoindican;Mandelonitrile sophoroside;Bisindolylmaleimide IX

DBごとのヒット数: ALL 4 KG 1 KN 1 HM 2

FlavonoidSearch最大スコア MS2: 0.083, MS3: 0.091

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
C20H27O11N	457.15841	-0.188	Amygdalin	HMDB: HMDB0035030 KEGG: C08325 KNApSAcK: C00001437
C20H27O11N	457.15841	-0.188	Calanthoside	KNApSAcK: C00026979, C00026980
C20H27O11N	457.15841	-0.188	Mandelonitrile sophoroside	HMDB: HMDB0038475
C25H23O2N5S	457.15725	2.359	Bisindolylmaleimide IX	HMDB: HMDB0257262

MSnスペクトル情報

Level: 2, プリカーサーm/z: 475.19153

Splash: splash10-00di-0129400000-9dd9c9136393c7aec830

m/z	Int.	NL	Rel.Int.
324.96	5171	150	1000
458.35	1844	17	356
162.91	853	312	164
457.72	715	17	138
288.86	460	186	89
270.92	417	204	80
296.29	370	179	71
278.18	344	197	66
144.96	294	330	56

Score	Symbolized Name	MSMS-Category	MSMS-Aglycone
0.083	[Isoflavone]-A(2OH, 2(C-Prenyl))-B(1OH, 1(C-Prenyl))	Isoflavone	Euchrenone b1
0.040	[Isoflavone]-A(2OH, 1(C-Prenyl))-B(1OH, 2(C-Prenyl))	Isoflavone	Flemiphyllin
0.000	[2'-Hydroxychalcone]-A(2OH, 1(C-Prenyl))-B(1OH, 1([2,3:@@]-(6-Methyl-6-(4-methyl-3-pentenyl)pyrano)))	2'-Hydroxychalcone	Poinsettifolin B
0.000	[Flavanone]-A(2OH, 2(C-Prenyl))-B(1([2,3:@@]-(6,6-Dimethylpyrano)))	Flavanone	Euchrenone a4
0.000	[3-substituted Flavone (3-Geranyl)]-A(1OH, 1(C-Prenyl))-B(2OH)	3-substituted Flavone	Rubraflavone B
0.000	[Flavone]-A(2OH, 1(1(O-Acetyl)-C-Glu))-B(1OH)	Flavone	Vitexin 2''-O-acetate
0.000	[Flavone]-A(2OH, 1(1(O-Acetyl)-C-Glu))-B(1OH)	Flavone	Vitexin 3''-O-acetate
0.000	[Flavone]-A(2OH, 1(1(O-Acetyl)-C-Glu))-B(1OH)	Flavone	Vitexin 6''-O-acetate
0.000	[Flavone]-A(2OH, 1(1(O-Acetyl)-C-Glu))-B(1OH)	Flavone	Isovitexin 6''-O-acetate
0.000	[Flavone]-A(2OH, 1(1(O-Acetyl)-Galactosyl))-B(1OH)	Flavone	Apigenin 8-C-(6''-acetylgalactoside)
0.000	[Flavone]-A(2OH, 1(1(O-Acetyl)-Glucofuranosyl))-B(1OH)	Flavone	8-C-beta-D-Glucofuranosylapigenin 2''-O-acetate

Level: 3, プリカーサーm/z: 458.35214

Splash: splash10-0002-0090000000-11efd9c68a84bb6e269a

m/z	Int.	NL	Rel.Int.
296.20	2206	162	1000

Level: 3, プリカーサーm/z: 324.95847

Splash: splash10-03kc-0960000000-8a072dc5ab3e7745cb65

m/z	Int.	NL	Rel.Int.
162.88	241	162	1000
270.97	149	54	618
144.88	141	180	583
288.94	113	36	467
127.03	29	198	121
253.05	13	72	52
307.21	12	18	50

FlavonoidSearch結果

Score	Symbolized Name	MSMS-Category	MSMS-Aglycone
0.091	[2'-Hydroxychalcone]-A(2OH)-B(1OH, 1(C-Prenyl))	2'-Hydroxychalcone	Licoagrochalcone A
0.050	[Flavanone]-A(2OH, 1(C-Prenyl))-B(none)	Flavanone	Glabranin
0.050	[Flavanone]-A(2OH, 1(C-Prenyl))-B(none)	Flavanone	5,7-Dihydroxy-6-C-prenylflavanone
0.050	[Flavanone]-A(1OH, 1(C-Prenyl))-B(1OH)	Flavanone	Crotaramosmin
0.050	[2'-Hydroxychalcone]-A(3OH, 1(C-Prenyl))-B(none)	2'-Hydroxychalcone	Desmethylisoxanthohumol
0.043	[Flavanone]-A(1OH, 1(C-Prenyl))-B(1OH)	Flavanone	Isobavachin
0.043	[Flavanone]-A(1OH, 1(C-Prenyl))-B(1OH)	Flavanone	Bavachin
0.043	[Flavanone]-A(1OH)-B(1OH, 1(C-Prenyl))	Flavanone	Abyssinone II
0.043	[2'-Hydroxychalcone]-A(2OH, 1(C-Prenyl))-B(1OH)	2'-Hydroxychalcone	Isobavachalcone
0.043	[2'-Hydroxychalcone]-A(2OH, 1(C-Prenyl))-B(1OH)	2'-Hydroxychalcone	Broussochalcone B
0.000	[Pterocarpan]-A(1OH, 1(C-Prenyl))-B(1OH)	Pterocarpan	2-Prenyldemethylmedicarpin
0.000	[Pterocarpan]-A(1OH)-B(1OH, 1(C-Prenyl))	Pterocarpan	8-Prenyldemethylmedicarpin
0.000	[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