ピーク情報

きく花びら生ピンク

pos

Peak #1342 MN MID: SE123_S060582_M90

m/z: 325.09165, RT: 34.33, 強度: 5525, ログ強度: 0.30, アダクト: [M-H2O+H]+, 共有数（同様のピークを含むサンプル数）: 18

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	-0.414	Grevilloside F	KNApSAcK: C00033896
C15H18O9	342.09508	-0.414	Glucocaffeic acid	HMDB: HMDB0034313
C15H18O9	342.09508	-0.414	1-Caffeoyl-beta-D-glucose	HMDB: HMDB0036937, HMDB0302440 KEGG: C10433 KNApSAcK: C00002718
C15H18O9	342.09508	-0.414	hydroxysyringaresinol	HMDB: HMDB0304582
C15H18O9	342.09508	-0.414	3-Hydroxyphenylpropionic acid glucuronide	HMDB: HMDB0240371
C15H18O9	342.09508	-0.414	Chaenorrhinoside	KNApSAcK: C00010528
C15H18O9	342.09508	-0.414	6-[4-(2-carboxyethyl)phenoxy]-3,4,5-trihydroxyoxane-2-carboxylic acid	HMDB: HMDB0125169
C15H18O9	342.09508	-0.414	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: 325.09082

Splash: splash10-03di-0932000000-c779494a8835da83b807

m/z	Int.	NL	Rel.Int.
162.94	30177	162	1000
268.16	10203	57	338
307.11	7674	18	254
269.15	3458	56	114
180.96	3271	144	108
96.94	1552	228	51

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: 162.94295

Splash: splash10-0006-0900000000-3ce79234fe820cc41e59

m/z	Int.	NL	Rel.Int.
144.88	10325	18	1000
134.99	1202	28	116

Level: 3, プリカーサーm/z: 268.15918

Splash: splash10-03di-0090000000-5c2ea4a4bdfc81ce7b4e

m/z	Int.	NL	Rel.Int.
212.03	4277	56	1000
213.08	619	55	144
252.16	258	16	60