ピーク情報

シロイヌナズナ　地上部

pos

Peak #5127 MN MID: SE200_S1_M90

m/z: 543.31459, RT: 51.90, 強度: 16118, ログ強度: 0.58, アダクト: [M+H]+, 共有数（同様のピークを含むサンプル数）: 1

DB検索結果: (10 names) Salvigreside C;Tricalysioside R;(-)-Tricalysioside R;Simplexin F;(+)-Simplexin F;PL;Tricalysioside S;(-)-Tricalysioside S;Simplexin G;(+)-Simplexin G

DBごとのヒット数: ALL 6 KN 5 HM 1

FlavonoidSearch最大スコア MS2: -, MS3: -

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
C28H46O10	542.30910	-3.285	Salvigreside C	KNApSAcK: C00035874
C28H46O10	542.30910	-3.285	PL	HMDB: HMDB0302594
C28H46O10	542.30910	-3.285	Simplexin F	KNApSAcK: C00047573
C28H46O10	542.30910	-3.285	Tricalysioside R	KNApSAcK: C00032405
C28H46O10	542.30910	-3.285	Tricalysioside S	KNApSAcK: C00032406
C28H46O10	542.30910	-3.285	Simplexin G	KNApSAcK: C00047574

MSnスペクトル情報

Level: 2, プリカーサーm/z: 543.31415

Splash: splash10-0159-0007910000-1cce0201ef084e3b49f1

m/z	Int.	NL	Rel.Int.
469.34	5339	74	1000
381.32	4241	162	794
470.43	1223	73	229
382.36	757	161	141
351.39	751	192	140
365.34	637	178	119
525.40	579	18	108
485.37	474	58	88
513.43	411	30	77
423.31	306	120	57

Level: 3, プリカーサーm/z: 381.30560

Splash: splash10-0udi-0009000000-eaf092e320461f3d4ea5

m/z	Int.	NL	Rel.Int.
351.30	1312	30	1000
352.34	156	29	119
307.21	83	74	62

Symbolized Name	MSMS-Category	MSMS-Aglycone
[Coumestan]-A(2OMe, 1(C-Prenyl))-B(1OH)	Coumestan	1-O-Methylglycyrol
[2'-Hydroxychalcone]-A(1OH, 1OMe, 1([2,3:@@]-(6,6-Dimethylpyrano)))-B(1([@@]-Methylenedioxy))	2'-Hydroxychalcone	Glabrachromene I
[beta-Hydroxy(or Oxodihydro)chalcone (beta-OMe)]-A(2OMe, 1([2,3:@@]-(6,6-Dimethylpyrano)))-B(none)	beta-Hydroxy(or Oxodihydro)chalcone	7-Methoxypraecansone B
[beta-Hydroxy(or Oxodihydro)chalcone (2-OMe)]-A(none)-B(2OMe, 1([2,3:@@]-(6,6-Dimethylpyrano)))	beta-Hydroxy(or Oxodihydro)chalcone	Praecanson A
[Flavanone]-A(1OMe, 1([@@]-Methylenedioxy))-B(1([2,3:@@]-(6,6-Dimethylpyrano)))	Flavanone	Ovalichromene A
[Flavanone]-A(2OH)-B(1OH, 1(C-Prenyl), 1([2,3:@@]-Furano))	Flavanone	Abyssinoflavanone IV
[Flavanone]-A(1OMe, 1([@@]-Methylenedioxy))-B(1([2,3:@@]-(6,6-Dimethylpyrano)))	Flavanone	Isoglabrachromene
[Flavone]-A(1OMe, 1([2,3:@@]-(5,5-Dimethyl-4-hydroxy-4,5,3a,6a-tetrahydro-furo[2,3-b]furano)))-B(none)	Flavone	Multijuginol
[Flavone]-A(1OH, 1OMe, 1Methyl)-B(1OH, 1([2,3:@@]-(6,6-Dimethylpyrano)))	Flavone	Muxiangrin II
[Flavonol (3-OMe)]-A(1OMe, 1([2,3:@@]-(6,6-Dimethylpyrano)))-B(1OH)	Flavonol	4'-Hydroxy-3,6-dimethoxy-6'',6''-dimethylpyrano[2,3:7,8]flavone
[Flavonol (3-OMe)]-A(1OMe, 1([2,3:@@]-(5-Isopropenyldihydrofurano)))-B(1OH)	Flavonol	Vellokaempferol 3,5-dimethyl ether
[Flavonol (3-OMe)]-A(1OH, 1([2,3:@@]-(5-Isopropenyldihydrofurano)))-B(1OMe)	Flavonol	Vellokaempferol 3,4'-dimethyl ether
[Isoflavone]-A(1OH, 1OMe, 1(C-Prenyl))-B(1([@@]-Methylenedioxy))	Isoflavone	Predurmillone
[4-Hydroxy-3-phenylcoumarin]-A(1OMe, 1([2,3:@@]-(6,6-Dimethylpyrano)))-B(1OMe)	4-Hydroxy-3-phenylcoumarin	Robustic acid

Level: 3, プリカーサーm/z: 469.31329

Splash: splash10-0a4i-0009000000-74ff08f6b2055a1c2565

Symbolized Name	MSMS-Category	MSMS-Aglycone
[Flavanone]-A(2OH, 1(2-Hydroxybenzyl), 1(2-Hydroxybenzyl))-B(none)	Flavanone	Dichamanetin
[Flavanone]-A(1OH, 1OMe, 1Lavandulyl)-B(2OH, 1OMe)	Flavanone	Exiguaflavanone E
[CCS-type derivative / [2',3]-(Epoxy-1-hydroperoxyisopropanylethano)flavone]-A(1OH, 1OMe)-B(1OH)	CCS-type derivative / [2',3]-(Epoxy-1-hydroperoxyisopropanylethano)flavone	Artoindonesianin B
[Flavan 3-ol]-A(2OH)-B(3OH)-C(1(O-Caffeoyl))	Flavan 3-ol	Gallocatechin 3-O-caffeate
[Flavan 3-ol]-A(1OH, 1([2,3:@@]-(4-(3,4-Dihydroxyphenyl)-6-oxodihydropyrano)))-B(3OH)	Flavan 3-ol	Apocynin A
[Isoflavone]-A(1OH, 1(3-Hydroxy-3-methylbutyl), 11([2,3:@@]-(6,6-Dimethyldihydropyrano)))-B(2OMe)	Isoflavone	1'',2''-Dihydro-8-hydroxyisopentanyl-3'-methoxy-4'-O-methylalpinumisoflavone
[Isoflavone]-A(1OH, 1(3-Hydroxy-3-methylbutyl), 11([2,3:@@]-(6,6-Dimethyldihydropyrano)))-B(2OMe)	Isoflavone	1'',2''-Dihydro-8-hydroxyisopentanyl-2'-methoxy-4'-O-methylalpinumisoflavone

ピーク情報

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MSnスペクトル情報

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