ピーク情報

トマト Micro-Tom 花

pos

Peak #12152 MN MID: SE203_S31_M90

m/z: 489.28462, RT: 77.35, 強度: 3715, ログ強度: -0.09, アダクト: [M+H]+, 共有数（同様のピークを含むサンプル数）: 5

DB検索結果: (20 names) Daturolactone 5;(-)-Daturolactone 5;11alpha-O-tigloyl-12beta-O-Acetyltenacigenin B;11beta,17alpha,21-trihydroxypregn-4-ene-3,20-dione 17-butyrate, 21-propionate;Methyl lucidenate L;2,3-Dihydrowithanol...

DBごとのヒット数: ALL 15 KG 1 KN 9 HM 4 LM 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
C28H40O7	488.27740	-0.115	Daturolactone 5	KNApSAcK: C00049629
C28H40O7	488.27740	-0.115	11alpha-O-tigloyl-12beta-O-Acetyltenacigenin B	KNApSAcK: C00035457
C28H40O7	488.27740	-0.115	Hydrocortisone butyrate propionate	KEGG: C13358 LipidMAPS: LMST02030128
C28H40O7	488.27740	-0.115	Dihydrowithanolide E	HMDB: HMDB0034057 KNApSAcK: C00039032
C28H40O7	488.27740	-0.115	Methyl lucidenate L	KNApSAcK: C00051570
C28H40O7	488.27740	-0.115	Withaphysacarpin	HMDB: HMDB0033690
C28H40O7	488.27740	-0.115	Perulactone B	HMDB: HMDB0030119
C28H40O7	488.27740	-0.115	Physacoztolide B	KNApSAcK: C00041761
C28H40O7	488.27740	-0.115	Andrastin B	KNApSAcK: C00055071
C28H40O7	488.27740	-0.115	Tubocapsanolide D	KNApSAcK: C00040574 LipidMAPS: LMST01160087
C28H40O7	488.27740	-0.115	Isocochlioquinone C	KNApSAcK: C00045326
C28H40O7	488.27740	-0.115	Philadelphicalactone A	KNApSAcK: C00045006
C28H40O7	488.27740	-0.115	14alpha-Hydroxyixocarpanolide	HMDB: HMDB0034334
C28H40O7	488.27740	-0.115	(20S,22R)-3a,6a-epoxy-4beta,5beta,27-trihydroxy-1-oxowitha-24-enolide	LipidMAPS: LMST01160025
C29H44O2S2	488.27827	-1.895	2,6-Ditert-butyl-4-[(3,5-ditert-butyl-4-hydroxyphenyl)sulfanylmethylsulfanyl]phenol	HMDB: HMDB0254375

MSnスペクトル情報

Level: 2, プリカーサーm/z: 489.28452

Splash: splash10-00b9-0179500000-5b3446681239a3d2bef8

m/z	Int.	NL	Rel.Int.
325.32	804	164	1000
471.40	520	18	646
221.11	180	268	223
251.23	175	238	217
146.93	148	342	183
289.27	142	200	176
215.16	138	274	171
233.09	118	256	146
307.32	115	182	143

Symbolized Name	MSMS-Category	MSMS-Aglycone
[Flavanone]-A(1OH, 1Methyl, 1([2,3:@@]-(4-Isopropyl-6,6,8,8-tetramethyl-5,7-dioxy-4,8-dihydrochromeno)))-B(none)	Flavanone	Lumaflavanone A
[Flavanone]-A(1OH, 1(C-Prenyl), 1([2,3:@@]-(6,6-Dimethylpyrano)))-B(1OH, 1([2,3:@@]-(6,6-Dimethylpyrano)))	Flavanone	Amorin
[Flavanone]-A(1OH, 1([2,3:@@]-(6-Methyl-6-(4-methyl-3-pentenyl)pyrano)))-B(1OH, 1([2,3:@@]-(6,6-Dimethylpyrano)))	Flavanone	Flemichin A
[Flavanone]-A(1OH, 1(C-Prenyl), 1([2,3:@@]-(6,6-Dimethylpyrano)))-B(1OH, 1([2,3:@@]-(6,6-Dimethylpyrano)))	Flavanone	Euchrenone a11
[Flavanone]-A(1OH, 1(C-Prenyl), 1([2,3:@@]-(6,6-Dimethylpyrano)))-B(1OH, 1([2,3:@@]-(6,6-Dimethylpyrano)))	Flavanone	Euchrenone a12
[Flavone]-A(1OH, 1OMe, 1(1(O-Acetyl)-C-Glu))-B(1OH)	Flavone	Isoswertisin 2''-O-acetate
[3-substituted Flavone (3-Geranyl)]-A(1OH, 1([2,3:@@]-(6,6-Dimethylpyrano)))-B(2OH)	3-substituted Flavone	Rubraflavone D
[3-substituted Flavone (3-C-Prenyl)]-A(2OH)-B(1OH, 1([2,3:@@]-(6-Methyl-6-(4-methyl-3-pentenyl)pyrano)))	3-substituted Flavone	Sanggenone K
[CCS-type derivative / [2',3]-Prenyloxidoflavone]-A(2OH, 2(C-Prenyl))-B(1OH)	CCS-type derivative / [2',3]-Prenyloxidoflavone	Artelastin
[Flavonol]-A(2OH, 2(C-Prenyl))-B(1([2,3:@@]-(6,6-Dimethylpyrano)))	Flavonol	Dorsilurin C

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MSnスペクトル情報

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