ピーク情報

トマト Micro-Tom 花

pos

Peak #9867 MN MID: SE203_S31_M90

m/z: 381.18099, RT: 54.27, 強度: 31744, ログ強度: 0.84, 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: (20 names) Kopsine;Di-4-coumaroylputrescine;10-Methoxyvomilenine;21-Hydroxy-10-methoxyvinorine;11-Demethoxymyrtoidine;Mitragynaline;(-)-Mitragynaline;(-)-10-Methoxyperakine;6-Oxoalstophylline;12-Methoxykopsinone...

DBごとのヒット数: ALL 13 KG 1 KN 12

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
C22H24O4N2	380.17361	0.281	Kopsine	KNApSAcK: C00039588
C22H24O4N2	380.17361	0.281	N,N'-1,4-Butanediylbis[3-(4-hydroxyphenyl)-2-propenamide]	HMDB: HMDB0033466 KNApSAcK: C00054926
C22H24O4N2	380.17361	0.281	10-Methoxyvomilenine	KNApSAcK: C00024307
C22H24O4N2	380.17361	0.281	11-Demethoxymyrtoidine	KNApSAcK: C00036400
C22H24O4N2	380.17361	0.281	Mitragynaline	KNApSAcK: C00032021
C22H24O4N2	380.17361	0.281	11-Demethylbrucine	KEGG: C22931
C22H24O4N2	380.17361	0.281	(-)-10-Methoxyperakine	KNApSAcK: C00024323
C22H24O4N2	380.17361	0.281	12-Methoxykopsinone	KNApSAcK: C00024484
C22H24O4N2	380.17361	0.281	6-Oxoalstophylline	KNApSAcK: C00026666
C22H24O4N2	380.17361	0.281	Vomicine	KEGG: C09255 KNApSAcK: C00001788
C22H24O4N2	380.17361	0.281	10-Methoxykopsinone	KNApSAcK: C00024476
C22H24O4N2	380.17361	0.281	Fruticosine	KNApSAcK: C00025167, C00025168
C22H24O4N2	380.17361	0.281	(-)-Craspidospermine	KNApSAcK: C00025043
C21H29O4Cl	380.17544	-4.533	Chlorovulone I	KNApSAcK: C00043390, C00043391, C00044627 LipidMAPS: LMFA03120008, LMFA03120009, LMFA03120010, LMFA03120011

MSnスペクトル情報

Level: 2, プリカーサーm/z: 381.18094

Splash: splash10-000i-0090000000-4014fadd20127f05976e

m/z	Int.	NL	Rel.Int.
235.15	42033	146	1000
261.20	10602	120	252
217.13	4321	164	102
147.01	3587	234	85
218.24	2780	163	66

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: 235.13388

Splash: splash10-014i-0290000000-06467d023715c4d77631

m/z	Int.	NL	Rel.Int.
218.07	14358	17	1000
146.96	1692	88	117
113.93	1003	121	69
176.10	1002	59	69

Level: 3, プリカーサーm/z: 261.17767

Splash: splash10-0002-0900000000-fa34c2225b7ae5c5c8ed

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MSnスペクトル情報

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