ピーク情報

トマト Micro-Tom 成熟果実の果肉

pos

Peak #3042 MN MID: SE203_S21_M90

m/z: 325.09165, RT: 35.96, 強度: 3876, ログ強度: 0.11, 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: (9 names) Grevilloside F;(-)-Grevilloside F;Glucocaffeic acid;1-O-Caffeoylglucose;Chaenorrhinoside;hydroxysyringaresinol;3-Hydroxyphenylpropionic acid glucuronide;Caffeic acid 3-glucoside;6-[4-(2-carboxyethyl)p...

DBごとのヒット数: ALL 8 KG 2 KN 2 HM 4

FlavonoidSearch最大スコア MS2: 0.150, 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
C15H18O9	342.09508	-0.408	Grevilloside F	KNApSAcK: C00033896
C15H18O9	342.09508	-0.408	Glucocaffeic acid	HMDB: HMDB0034313
C15H18O9	342.09508	-0.408	1-Caffeoyl-beta-D-glucose	HMDB: HMDB0036937, HMDB0302440 KEGG: C10433 KNApSAcK: C00002718
C15H18O9	342.09508	-0.408	hydroxysyringaresinol	HMDB: HMDB0304582
C15H18O9	342.09508	-0.408	3-Hydroxyphenylpropionic acid glucuronide	HMDB: HMDB0240371
C15H18O9	342.09508	-0.408	Chaenorrhinoside	KNApSAcK: C00010528
C15H18O9	342.09508	-0.408	6-[4-(2-carboxyethyl)phenoxy]-3,4,5-trihydroxyoxane-2-carboxylic acid	HMDB: HMDB0125169
C15H18O9	342.09508	-0.408	Caffeic acid 3-glucoside	HMDB: HMDB0303040 KEGG: C10431 KNApSAcK: C00002716

MSnスペクトル情報

Level: 2, プリカーサーm/z: 325.09161

Splash: splash10-02t9-0981000000-bebcee0af34b3dc4dc33

m/z	Int.	NL	Rel.Int.
162.98	20876	162	1000
268.15	18165	57	870
307.11	4764	18	228
269.18	3075	56	147
181.01	1262	144	60
126.92	1152	198	55

FlavonoidSearch結果

Score	Symbolized Name	MSMS-Category	MSMS-Aglycone
0.150	[2'-Hydroxychalcone]-A(2OH)-B(1OH, 1(C-Prenyl))	2'-Hydroxychalcone	Licoagrochalcone A
0.111	[Flavanone]-A(2OH, 1(C-Prenyl))-B(none)	Flavanone	Glabranin
0.111	[Flavanone]-A(2OH, 1(C-Prenyl))-B(none)	Flavanone	5,7-Dihydroxy-6-C-prenylflavanone
0.111	[Flavanone]-A(1OH, 1(C-Prenyl))-B(1OH)	Flavanone	Crotaramosmin
0.111	[2'-Hydroxychalcone]-A(3OH, 1(C-Prenyl))-B(none)	2'-Hydroxychalcone	Desmethylisoxanthohumol
0.095	[Flavanone]-A(1OH, 1(C-Prenyl))-B(1OH)	Flavanone	Isobavachin
0.095	[Flavanone]-A(1OH, 1(C-Prenyl))-B(1OH)	Flavanone	Bavachin
0.095	[Flavanone]-A(1OH)-B(1OH, 1(C-Prenyl))	Flavanone	Abyssinone II
0.095	[2'-Hydroxychalcone]-A(2OH, 1(C-Prenyl))-B(1OH)	2'-Hydroxychalcone	Isobavachalcone
0.095	[2'-Hydroxychalcone]-A(2OH, 1(C-Prenyl))-B(1OH)	2'-Hydroxychalcone	Broussochalcone B
0.063	[Pterocarpan]-A(1OH, 1(C-Prenyl))-B(1OH)	Pterocarpan	2-Prenyldemethylmedicarpin
0.063	[Pterocarpan]-A(1OH)-B(1OH, 1(C-Prenyl))	Pterocarpan	8-Prenyldemethylmedicarpin
0.063	[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

Level: 3, プリカーサーm/z: 268.16559

Splash: splash10-03di-0090000000-fec43383fc2464132253

m/z	Int.	NL	Rel.Int.
212.07	11066	56	1000
252.15	718	16	64

Level: 3, プリカーサーm/z: 162.96161

Splash: splash10-0002-0900000000-416ca5ebab77802c83a7

m/z	Int.	NL	Rel.Int.
145.01	6633	18	1000
135.03	830	28	125

ピーク番号	保持時間 (min)	m/z	m/z差分	ログ強度	アダクト	DB検索結果	ヒット数	MSn	FS2	FS3	共有数
	35.97	343.10208	18.0104	1.22	[M+H]+	(9 names) Grevilloside F; (-)-Grevilloside F; Glucocaffeic acid; 1-O-Caffeoylglucose; Chaenorrhinoside; hydroxysyringaresinol; 3-Hydroxyphenylpropionic acid glucuronide; Caffeic acid 3-glucoside; 6-[4-(2-carboxyethyl)p...	ALL 8 KG 2 KN 2 HM 4	MS2	0.077		7
3042	35.96	325.09165	0.0000	0.11	[M-H2O+H]+	(9 names) Grevilloside F; (-)-Grevilloside F; Glucocaffeic acid; 1-O-Caffeoylglucose; Chaenorrhinoside; hydroxysyringaresinol; 3-Hydroxyphenylpropionic acid glucuronide; Caffeic acid 3-glucoside; 6-[4-(2-carboxyethyl)p...	ALL 8 KG 2 KN 2 HM 4	MS2 MS3 x 2	0.150		2

ピーク情報

DB検索結果

MSnスペクトル情報

FlavonoidSearch結果

FlavonoidSearch結果

FlavonoidSearch結果

関連ピーク情報