ピーク情報

（かんきつ類）ゆず果汁生

pos

Peak #605 MN MID: SE123_S071431_M90

m/z: 652.22886, RT: 11.72, 強度: 38322, ログ強度: 1.21, アダクト: [M+2(CH3OH)-H2O+H]+, 共有数（同様のピークを含むサンプル数）: 153

DB検索結果: Tezosentan

DBごとのヒット数: ALL 1 HM 1

FlavonoidSearch最大スコア MS2: -, 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
C27H27O6N9S	605.18050	-1.290	Tezosentan	HMDB: HMDB0258945

MSnスペクトル情報

Level: 2, プリカーサーm/z: 652.22650

Splash: splash10-00di-0029100000-01b37645e026f0022726

m/z	Int.	NL	Rel.Int.
324.98	5269	327	1000
342.76	2879	309	546
489.89	1496	162	283
288.74	1435	363	272
306.55	1384	346	262
271.14	1111	381	210
309.99	459	342	87
486.62	333	166	63

Level: 3, プリカーサーm/z: 324.97760

Splash: splash10-03dr-0970000000-59ebb6286e15ab58f356

m/z	Int.	NL	Rel.Int.
162.87	367	162	1000
288.61	230	36	627
258.69	58	66	156
271.10	43	54	117
144.94	34	180	92
199.18	26	126	71
217.02	26	108	70
228.98	26	96	70
307.13	23	18	61
102.80	20	222	54

FlavonoidSearch結果

Score	Symbolized Name	MSMS-Category	MSMS-Aglycone
0.091	[Flavanone]-A(2OH, 1(C-Prenyl))-B(none)	Flavanone	Glabranin
0.091	[Flavanone]-A(2OH, 1(C-Prenyl))-B(none)	Flavanone	5,7-Dihydroxy-6-C-prenylflavanone
0.091	[2'-Hydroxychalcone]-A(3OH, 1(C-Prenyl))-B(none)	2'-Hydroxychalcone	Desmethylisoxanthohumol
0.080	[2'-Hydroxychalcone]-A(2OH)-B(1OH, 1(C-Prenyl))	2'-Hydroxychalcone	Licoagrochalcone A
0.043	[Flavanone]-A(1OH, 1(C-Prenyl))-B(1OH)	Flavanone	Crotaramosmin
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	[Flavanone]-A(1OH)-B(1OH, 1(C-Prenyl))	Flavanone	Abyssinone II
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
0.000	[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