ピーク情報

トマト Micro-Tom 花

pos

Peak #11568 MN MID: SE203_S31_M90

m/z: 577.37365, RT: 67.04, 強度: 23342, ログ強度: 0.56, アダクト: [M-H2O+H]+, 共有数（同様のピークを含むサンプル数）: 2

DB検索結果: (5 names) Capsicoside A1;Aldecalmycin;Dioseptemloside B;(-)-Dioseptemloside B;6-O-(Glcb)-(25R)-5alpha-spirostan-3beta,6alpha-diol

DBごとのヒット数: ALL 4 KN 2 HM 1 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
C33H54O9	594.37678	0.255	Capsicoside A1	HMDB: HMDB0303762
C33H54O9	594.37678	0.255	Aldecalmycin	KNApSAcK: C00017220
C33H54O9	594.37678	0.255	Dioseptemloside B	KNApSAcK: C00033779
C33H54O9	594.37678	0.255	6-O-(Glcb)-(25R)-5alpha-spirostan-3beta,6alpha-diol	LipidMAPS: LMST01080087

MSnスペクトル情報

Level: 2, プリカーサーm/z: 577.37323

Splash: splash10-06ri-0030890000-045e93c8711fcf42d698

m/z	Int.	NL	Rel.Int.
435.30	3299	142	1000
560.59	2384	17	722
255.23	1081	322	327
558.57	590	19	178
519.40	421	58	127
273.24	412	304	124
559.56	286	18	86

Score	Symbolized Name	MSMS-Category	MSMS-Aglycone
0.000	[Flavone]-A(2OH, 1(1(O-<3-Hydroxy-3-methylglutaryl>)-C-Glu))-B(1OH)	Flavone	Vitexin 6''-(3-hydroxy-3-methylglutarate)
0.000	[Dihydroflavonol]-A(2OH, 1(C-Prenyl))-B(2OH, 1(C-Prenyl), 1Geranyl)	Dihydroflavonol	Sanggenol E

Level: 3, プリカーサーm/z: 435.27631

Splash: splash10-0a4i-0090000000-ee93d756337f857d789c

m/z	Int.	NL	Rel.Int.
255.28	1153	180	1000
273.19	462	162	400
161.08	61	274	52

FlavonoidSearch結果

Symbolized Name	MSMS-Category	MSMS-Aglycone
[Flavone]-A(1OH, 3OMe)-B(1OH, 3OMe)	Flavone	Agehoustin D
[Flavanone]-A(3OMe)-B(4OMe)	Flavanone	5,6,7,2',3',4',5'-Heptamethoxyflavanone
[Flavanone]-A(4OMe)-B(3OMe)	Flavanone	5,6,7,8,3',4',5'-Heptamethoxyflavanone
[2'-Hydroxychalcone]-A(1OH, 3OMe)-B(4OMe)	2'-Hydroxychalcone	6'-Hydroxy-2,3,4,5,2',3',4'-heptamethoxychalcone
[beta-Hydroxy(or Oxodihydro)chalcone]-A(3OMe)-B(4OMe)	beta-Hydroxy(or Oxodihydro)chalcone	beta-Hydroxy-2,3,4,5,2',4',5'-heptamethoxychalcone
[Flavanone]-A(1OH, 1(C-Galactosyl))-B(2OH)	Flavanone	Palodulcin B
[Flavanone]-A(2OH, 1(C-Glu))-B(1OH)	Flavanone	Hemiphloin
[Flavanone]-A(2OH, 1(C-Glu))-B(1OH)	Flavanone	Isohemiphloin
[Flavone]-A(2OH)-B(1([2,3:@@]-(5-Hydroxymethyl-6-(p-hydroxyphenyl)-dihydro[1,4]dioxinyl)))	Flavone	Sinaticin
[CCS-type derivative / [2',3]-Prenyloxidoflavone]-A(2OH, 1(3-Methyl-1-butenyl))-B(1OMe)	CCS-type derivative / [2',3]-Prenyloxidoflavone	Cycloartocarpin A
[CCS-type derivative / [2',3]-Prenyloxidoflavone]-A(1OH, 1OMe, 1(C-Prenyl))-B(1OH)	CCS-type derivative / [2',3]-Prenyloxidoflavone	Cycloartocarpin
[CCS-type derivative / [2',3]-Isopropenylethanoflavone]-A(1OH, 1([2,3:@@]-(6,6-Dimethylpyrano)))-B(3OH)	CCS-type derivative / [2',3]-Isopropenylethanoflavone	Artobiloxanthone
[CCS-type derivative / [2,2a,5:3',2',3]-7,7-Dimethyltetrahydroisobenzofuranoflavone]-A(1OH, 1([2,3:@@]-(6,6-Dimethylpyrano)))-B(2OH)	CCS-type derivative / [2,2a,5:3',2',3]-7,7-Dimethyltetrahydroisobenzofuranoflavone	Cycloartobiloxanthone
[Flavonol (3-OMe)]-A(1(C-Prenyl), 1([2,3:@@]-(6,6-Dimethylpyrano)))-B(2OH)	Flavonol	Macaflavone II
[Flavonol (3-OMe)]-A(2OH, 1(1-(p-Hydroxyphenyl)ethyl))-B(1OMe)	Flavonol	Haplopappin
[Flavonol]-A(1OH, 1OMe, 1(1-(p-Hydroxyphenyl)ethyl))-B(1OMe)	Flavonol	Haplopappin A
[Flavonol (3-OMe)]-A(4OMe)-B(2OH, 1OMe)	Flavonol	3',5'-Dihydroxy-3,5,6,7,8,4'-hexamethoxyflavone
[Flavonol (3-OMe)]-A(1OH, 3OMe)-B(1OH, 2OMe)	Flavonol	Digicitrin
[Flavonol (3-OMe)]-A(2OH, 2OMe)-B(3OMe)	Flavonol	5,7-Dihydroxy-3,6,8,3',4',5'-hexamethoxyflavone
[Flavonol (3-OMe)]-A(1OH, 3OMe)-B(1OH, 2OMe)	Flavonol	5,2'-Dihydroxy-3,6,7,8,4',5'-hexamethoxyflavone
[Flavonol (3-OMe)]-A(2OH, 2OMe)-B(3OMe)	Flavonol	5,7-Dihydroxy-3,6,8,2',4',5'-hexamethoxyflavone
[Isoflavone]-A(1([2,3:@@]-(6,6-Dimethyl-5-hydroxydihydropyrano)))-B(1OMe, 1([2,3:@@]-(6,6-Dimethylpyrano)))	Isoflavone	Mundulone
[Isoflavone]-A(1OH, 1(C-Prenyl), 1([2,3:@@]-(6,6-Dimethylpyrano)))-B(1OH, 1OMe)	Isoflavone	Auriculin
[4-Hydroxy-3-phenylcoumarin]-A(1OMe, 1(C-Prenyl), 1([2,3:@@]-(6,6-Dimethylpyrano)))-B(1OH)	4-Hydroxy-3-phenylcoumarin	Scandenin
[4-Hydroxy-3-phenylcoumarin]-A(1OMe, 1(C-Prenyl), 1([2,3:@@]-(6,6-Dimethylpyrano)))-B(1OH)	4-Hydroxy-3-phenylcoumarin	Lonchocarpic acid

Level: 3, プリカーサーm/z: 560.54163

Splash: splash10-0002-0049000000-4dfecb77ac23d998c15d

m/z	Int.	NL	Rel.Int.
398.43	147	162	1000
255.24	57	305	385
380.46	17	180	117
273.36	17	287	112
560.96	12	-0	82