ピーク情報

かぼちゃいり味付け

pos

Peak #1439 MN MID: SE118_S050061_M90

m/z: 452.17582, RT: 19.35, 強度: 6563, ログ強度: 0.46, アダクト: [M+NH4]+, 共有数（同様のピークを含むサンプル数）: 3

DB検索結果: (10 names) Markhamioside F;(-)-Markhamioside F;Rhyncoside A;6alpha-Hydroxyforsythide dimethyl ester;4-Hydroxy-5-(3',4'-dihydroxyphenyl)-valeric acid-O-methyl-O-glucuronide;Canthoside C;(-)-Canthoside C;4-Hydroxy...

DBごとのヒット数: ALL 7 KN 5 HM 2

FlavonoidSearch最大スコア MS2: -, MS3: 0.043

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
C18H26O12	434.14243	-1.001	Markhamioside F	KNApSAcK: C00037481
C18H26O12	434.14243	-1.001	Rhyncoside A	KNApSAcK: C00031166
C18H26O12	434.14243	-1.001	6alpha-Hydroxyforsythide dimethyl ester	KNApSAcK: C00029571
C18H26O12	434.14243	-1.001	4-Hydroxy-5-(3',4'-dihydroxyphenyl)-valeric acid-O-methyl-O-glucuronide	HMDB: HMDB0059972
C18H26O12	434.14243	-1.001	4-Hydroxy-5-(3',5'-dihydroxyphenyl)-valeric acid-O-methyl-O-glucuronide	HMDB: HMDB0059974
C18H26O12	434.14243	-1.001	Canthoside C	KNApSAcK: C00036877
C18H26O12	434.14243	-1.001	Canthoside D	KNApSAcK: C00036878

MSnスペクトル情報

Level: 2, プリカーサーm/z: 452.17508

Splash: splash10-004i-0129000000-3d3b024ea7fc1175e9b3

m/z	Int.	NL	Rel.Int.
325.05	820	127	1000
288.83	71	163	86
144.88	67	307	81
162.91	66	289	81
236.98	51	215	62
271.06	46	181	56
218.98	43	233	53

Score	Symbolized Name	MSMS-Category	MSMS-Aglycone
0.000	[Isoflavone]-A(2OH)-B(1OH, 1OMe, 2(C-Prenyl), 1Amino)	Isoflavone	Piscerythramine

Level: 3, プリカーサーm/z: 325.04785

Splash: splash10-03dl-0950000000-d15bcd934aaf172c0555

m/z	Int.	NL	Rel.Int.
162.90	54	162	1000
145.00	45	180	831
270.97	21	54	384
289.07	17	36	313
237.72	8	87	156
126.89	7	198	138
247.06	7	78	128
96.88	5	228	102
258.99	4	66	75
204.88	3	120	58

FlavonoidSearch結果

Score	Symbolized Name	MSMS-Category	MSMS-Aglycone
0.043	[Flavanone]-A(1OH, 1(C-Prenyl))-B(1OH)	Flavanone	Crotaramosmin
0.043	[2'-Hydroxychalcone]-A(3OH, 1(C-Prenyl))-B(none)	2'-Hydroxychalcone	Desmethylisoxanthohumol
0.038	[Flavanone]-A(1OH, 1(C-Prenyl))-B(1OH)	Flavanone	Isobavachin
0.038	[Flavanone]-A(1OH, 1(C-Prenyl))-B(1OH)	Flavanone	Bavachin
0.038	[2'-Hydroxychalcone]-A(2OH, 1(C-Prenyl))-B(1OH)	2'-Hydroxychalcone	Isobavachalcone
0.038	[2'-Hydroxychalcone]-A(2OH, 1(C-Prenyl))-B(1OH)	2'-Hydroxychalcone	Broussochalcone B
0.038	[2'-Hydroxychalcone]-A(2OH)-B(1OH, 1(C-Prenyl))	2'-Hydroxychalcone	Licoagrochalcone A
0.000	[Flavanone]-A(2OH, 1(C-Prenyl))-B(none)	Flavanone	Glabranin
0.000	[Flavanone]-A(2OH, 1(C-Prenyl))-B(none)	Flavanone	5,7-Dihydroxy-6-C-prenylflavanone
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	[Flavanone]-A(1OH)-B(1OH, 1(C-Prenyl))	Flavanone	Abyssinone II
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