ピーク情報

イネ　葉　ニッポンバレ

pos

Peak #3951 MN MID: SE199_S41_M90

m/z: 771.21502, RT: 47.02, 強度: 177230, ログ強度: 1.66, アダクト: [M+H]+, 共有数（同様のピークを含むサンプル数）: 4

DB検索結果: (11 names) Isovitexin 2''-O-(6'''-feruloyl)glucoside;Petunidin 3-(4'''-p-coumarylrutinoside);Isorhamnetin 3-O-[4-Hydroxy-E-cinnamoyl-(->6)-b-D-glucopyranosyl-(1->2)-a-L-rhamnopyranoside];Isoscoparin 2''-(6-(E)-p...

DBごとのヒット数: ALL 11 KN 11

FlavonoidSearch最大スコア MS2: -, MS3: 1.000

DB検索結果

ppm

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
C37H38O18	770.20581	2.506	Petunidin 3-(4'''-p-coumarylrutinoside)	FlavonoidViewer: [1]FL7AAHGL0012 HMDB: [1]HMDB0301902 KNApSAcK: [1]C00006897 LipidMAPS: [1]LMPK12010359
C37H38O18	770.20581	2.506	Isovitexin 2''-O-(6'''-feruloyl)glucoside	FlavonoidViewer: FL3FAACS0082 HMDB: HMDB0038042 KNApSAcK: C00014082 LipidMAPS: LMPK12110272
C37H38O18	770.20581	2.506	Isorhamnetin 3-(6'''-p-coumaroylglucosyl)-(1->2)-rhamnoside	FlavonoidViewer: FL5FADGS0028 HMDB: HMDB0038252 KNApSAcK: C00013920 LipidMAPS: LMPK12112385
C37H38O18	770.20581	2.506	Isoscoparin 2''-(6-(E)-p-coumaroylglucoside)	FlavonoidViewer: FL3FADCS0015 HMDB: HMDB0037423 KNApSAcK: C00006334 LipidMAPS: LMPK12110752
C37H38O18	770.20581	2.506	Isovitexin 4'-O-glucoside 2''-O-(E)-ferulate	FlavonoidViewer: FL3FAADS0019 KNApSAcK: C00006332 LipidMAPS: LMPK12110304
C37H38O18	770.20581	2.506	Isovitexin 7-O-beta-[6'''-O-(E)-p-feruloyl]glucoside	FlavonoidViewer: FL3FAADS0045 HMDB: HMDB0301976 KNApSAcK: C00014078 LipidMAPS: LMPK12110328
C37H38O18	770.20581	2.506	Isorhamnetin 3-(4'''-p-coumarylrobinobioside)	FlavonoidViewer: FL5FADGA0024 KNApSAcK: C00006015 LipidMAPS: LMPK12112338
C37H38O18	770.20581	2.506	Pelargonidin 3-(6''-ferulylglucoside)-5-glucoside	FlavonoidViewer: [1]FL7AAAGL0030 KNApSAcK: [1]C00006769 LipidMAPS: [1]LMPK12010044
C37H38O18	770.20581	2.506	Peonidin 3-(6''-p-coumarylglucoside)-5-glucoside	FlavonoidViewer: [1]FL7AADGL0019 KNApSAcK: [1]C00006867 LipidMAPS: [1]LMPK12010250
C37H38O18	770.20581	2.506	Rhamnocitrin 3-(5'''-ferulylapiosyl)-(1->2)-glucoside	FlavonoidViewer: FL5FCAGL0009 KNApSAcK: C00005929 LipidMAPS: LMPK12112570
C35H42O6N6S4	770.20487	3.736	Dethio-tetra(methylthio)chetomin	KNApSAcK: C00024016

MSnスペクトル情報

Level: 2, プリカーサーm/z: 771.21344

Splash: splash10-03dj-0005901000-b8d76cb8f805e642bbdd

m/z	Int.	NL	Rel.Int.
463.19	86698	308	1000
445.19	43702	326	504
343.12	33635	428	387
313.12	24446	458	281
397.14	21848	374	251
367.16	21692	404	250
625.10	11967	146	138
409.15	11634	362	134
427.21	10794	344	124
433.20	9518	338	109
609.21	8517	162	98
753.22	7166	18	82
415.21	6458	356	74
651.17	5748	120	66

Level: 3, プリカーサーm/z: 463.22229

Splash: splash10-0002-0006900000-86de24021f4aac014db0

m/z	Int.	NL	Rel.Int.
445.15	29493	18	1000
397.10	13302	66	451
343.21	6657	120	225
367.17	5791	96	196
427.10	5716	36	193
409.25	3069	54	104

Score	Symbolized Name	MSMS-Category	MSMS-Aglycone
1.000	[Flavone]-A(2OH, 1(C-Glu))-B(1OH, 1OMe)	Flavone	Isoscoparin
1.000	[Flavone]-A(2OH, 1(C-Glu))-B(1OH, 1OMe)	Flavone	6-C-beta-D-Glucopyranosyldiosmetin
1.000	[Flavone]-A(1OH, 1OMe, 1(C-Glu))-B(2OH)	Flavone	Swertiajaponin
1.000	[Flavone]-A(2OH, 1(C-Glu))-B(1OH, 1OMe)	Flavone	Scoparin
1.000	[Flavone]-A(2OH, 1(C-Glu))-B(1OH, 1OMe)	Flavone	8-C-beta-D-Glucopyranosyldiosmetin
1.000	[Flavone]-A(1OH, 1OMe, 1(C-Glu))-B(2OH)	Flavone	Parkinsonin A
1.000	[Flavone]-A(1OH, 1OMe, 1(C-Glu))-B(2OH)	Flavone	Isoswertiajaponin
1.000	[Flavonol]-A(1OH, 1OMe, 1(C-Glu))-B(1OH)	Flavonol	Keyakinin
1.000	[Isoflavone]-A(2OH, 1(C-Glu))-B(1OH, 1OMe)	Isoflavone	Dalpanitin
0.000	[Flavone]-A(4OMe)-B(4OMe)	Flavone	Agehoustin A
0.000	[UBR-type derivative / 2'-Oxocyclohexa-4',6'-dienyl-type Dihydrochalcone]-A(2OH, 3(C-Prenyl))-B(none)	UBR-type derivative / 2'-Oxocyclohexa-4',6'-dienyl-type Dihydrochalcone	Helilupolone
0.000	[Flavonol]-A(1OH, 1OMe, 1(C-Rhamnosyl))-B(2OH)	Flavonol	6-C-Rhamnopyranosylrhamnetin
0.000	[Flavonol (3-OMe)]-A(4OMe)-B(3OMe)	Flavonol	Exoticin
0.000	[Flavonol (3-OMe)]-A(4OMe)-B(3OMe)	Flavonol	Purpurascenin
0.000	[Flavan]-A(1OH, 1(1,1-Dimethylallyl))-B(2OH, 2(C-Prenyl))	Flavan	Kazinol E
0.000	[Flavan]-A(1OH, 1(1,1-Dimethylallyl))-B(2OH, 2(C-Prenyl))	Flavan	Kazinol Q
0.000	[CCS-type derivative / [2,3,4:5,4a,4]-(6-Phenylpyrano)anthocyanidin (3',4'-Dihydroxy)]-A(1OH)-B(1OH, 2OMe)	CCS-type derivative / [2,3,4:5,4a,4]-(6-Phenylpyrano)anthocyanidin	Malvidin 4-vinylcatechol
0.000	[Isoflavone]-A(1OH, 1(C-Prenyl), 1([2,3:@@]-(6,6-Dimethylpyrano)))-B(1OMe, 1([@@]-Methylenedioxy))	Isoflavone	Euchrenone b3

Level: 3, プリカーサーm/z: 445.17401

Splash: splash10-00mk-0009300000-3a37702c837e44a1c3c8

m/z	Int.	NL	Rel.Int.
397.21	8878	48	1000
367.22	8299	78	934
427.25	4235	18	476
409.25	2902	36	326
325.29	1418	120	159
313.15	1336	132	150

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

Symbolized Name	MSMS-Category	MSMS-Aglycone
[Flavone]-A(1OH, 1OMe, 1(C-Rhamnosyl))-B(1OMe)	Flavone	7-Hydroxy-5,4'-dimethoxyflavone 8-C-rhamnoside
[Flavone]-A(2OH, 1(3,4-Dihydroxy-6-methyl-5-oxotetrahydro-2-pyranyl))-B(1OH, 1OMe)	Flavone	3'-O-Methylderhamnosylmaysin
[Flavone]-A(2OH, 1(6-Deoxy-beta-L-ribo-hexopyranos-3-ulos-1-yl))-B(1OH, 1OMe)	Flavone	6-C-(6-Deoxy-ribo-hexos-3-ulosyl)diosmetin
[UBR-type derivative / [3',6']-Benzoquinonyl-type [2',3]-Isopropenylethenoflavone]-A(1OH, 1([2,3:@@]-(6,6-Dimethylpyrano)))-B(1OMe)	UBR-type derivative / [3',6']-Benzoquinonyl-type [2',3]-Isopropenylethenoflavone	Artomunoxanthentrione
[Isoflavone]-A(1OH, 1OMe, 1(C-Rhamnosyl))-B(1OMe)	Isoflavone	Isovolubilin
[Isoflavone]-A(1OH, 1OMe, 1(C-Rhamnosyl))-B(1OMe)	Isoflavone	Volubilin