ピーク情報

シロイヌナズナ　地上部

pos

Peak #13448 MN MID: SE200_S1_M90

m/z: 599.43066, RT: 101.84, 強度: 291350, ログ強度: 1.84, アダクト: [M+Na]+, 共有数（同様のピークを含むサンプル数）: 5

DB検索結果: (87 names) DG(12:0/0:0/20:3(5Z,11Z,14Z)-O(8,9));DG(12:0/0:0/20:4(6E,8Z,11Z,14Z)-OH(5S));DG(12:0/20:3(5Z,11Z,14Z)-O(8,9)/0:0);DG(i-12:0/0:0/20:3(5Z,8Z,14Z)-O(11S,12R));DG(i-12:0/0:0/20:3(8Z,11Z,14Z)-O(5,6));DG(i-...

DBごとのヒット数: ALL 87 KG 1 KN 1 HM 85

FlavonoidSearch最大スコア MS2: -, MS3: 0.154

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
C35H60O6	576.43899	4.243	DG(12:0/0:0/20:3(5Z,11Z,14Z)-O(8,9))	HMDB: HMDB0294615, HMDB0294616
C35H60O6	576.43899	4.243	DG(12:0/0:0/20:4(6E,8Z,11Z,14Z)-OH(5S))	HMDB: HMDB0294627, HMDB0294628
C35H60O6	576.43899	4.243	DG(12:0/20:3(5Z,11Z,14Z)-O(8,9)/0:0)	HMDB: HMDB0294613
C35H60O6	576.43899	4.243	DG(i-12:0/0:0/20:3(5Z,8Z,14Z)-O(11S,12R))	HMDB: HMDB0298308, HMDB0298309
C35H60O6	576.43899	4.243	DG(i-12:0/0:0/20:3(8Z,11Z,14Z)-O(5,6))	HMDB: HMDB0298316, HMDB0298317
C35H60O6	576.43899	4.243	DG(i-12:0/20:4(5Z,8Z,11Z,14Z)-OH(18R)/0:0)	HMDB: HMDB0298330
C35H60O6	576.43899	4.243	DG(20:3(8Z,11Z,14Z)-O(5,6)/12:0/0:0)	HMDB: HMDB0294618
C35H60O6	576.43899	4.243	DG(20:4(5Z,8Z,11Z,14Z)-OH(19S)/12:0/0:0)	HMDB: HMDB0294630
C35H60O6	576.43899	4.243	DG(12:0/0:0/20:3(5Z,8Z,11Z)-O(14R,15S))	HMDB: HMDB0294607, HMDB0294608
C35H60O6	576.43899	4.243	DG(20:4(5Z,8Z,11Z,14Z)-OH(20)/i-12:0/0:0)	HMDB: HMDB0298319
C35H60O6	576.43899	4.243	DG(20:4(5Z,8Z,10E,14Z)-OH(12S)/i-12:0/0:0)	HMDB: HMDB0298347
C35H60O6	576.43899	4.243	DG(i-12:0/0:0/20:4(5Z,8Z,11Z,14Z)-OH(20))	HMDB: HMDB0298320, HMDB0298321
C35H60O6	576.43899	4.243	DG(20:4(5Z,8Z,11Z,14Z)-OH(17)/i-12:0/0:0)	HMDB: HMDB0298335
C35H60O6	576.43899	4.243	DG(12:0/0:0/20:4(5E,8Z,12Z,14Z)-OH(11R))	HMDB: HMDB0294655, HMDB0294656
C35H60O6	576.43899	4.243	DG(i-12:0/20:4(5Z,8Z,11Z,14Z)-OH(17)/0:0)	HMDB: HMDB0298334
C35H60O6	576.43899	4.243	DG(12:0/20:4(5Z,7E,11Z,14Z)-OH(9)/0:0)	HMDB: HMDB0294657
C35H60O6	576.43899	4.243	DG(12:0/0:0/20:4(5Z,8Z,11Z,14Z)-OH(19S))	HMDB: HMDB0294631, HMDB0294632
C35H60O6	576.43899	4.243	DG(i-12:0/20:3(5Z,8Z,11Z)-O(14R,15S)/0:0)	HMDB: HMDB0298302
C35H60O6	576.43899	4.243	DG(20:3(5Z,8Z,14Z)-O(11S,12R)/12:0/0:0)	HMDB: HMDB0294610
C35H60O6	576.43899	4.243	DG(i-12:0/0:0/20:4(5Z,8Z,11Z,14Z)-OH(17))	HMDB: HMDB0298336, HMDB0298337
C35H60O6	576.43899	4.243	DG(i-12:0/20:3(5Z,11Z,14Z)-O(8,9)/0:0)	HMDB: HMDB0298310
C35H60O6	576.43899	4.243	DG(i-12:0/0:0/20:4(5Z,8Z,11Z,14Z)-OH(19S))	HMDB: HMDB0298328, HMDB0298329
C35H60O6	576.43899	4.243	DG(20:4(5Z,8Z,11Z,13E)-OH(15S)/i-12:0/0:0)	HMDB: HMDB0298343
C35H60O6	576.43899	4.243	DG(i-12:0/0:0/20:4(5Z,7E,11Z,14Z)-OH(9))	HMDB: HMDB0298356, HMDB0298357
C35H60O6	576.43899	4.243	DG(12:0/20:4(5Z,8Z,11Z,13E)-OH(15S)/0:0)	HMDB: HMDB0294645
C35H60O6	576.43899	4.243	Schottenol 3-glucoside	HMDB: HMDB0034185
C35H60O6	576.43899	4.243	DG(20:3(8Z,11Z,14Z)-O(5,6)/i-12:0/0:0)	HMDB: HMDB0298315
C35H60O6	576.43899	4.243	DG(12:0/0:0/20:4(5Z,8Z,11Z,13E)-OH(15S))	HMDB: HMDB0294647, HMDB0294648
C35H60O6	576.43899	4.243	DG(12:0/0:0/20:4(5Z,8Z,10E,14Z)-OH(12S))	HMDB: HMDB0294651, HMDB0294652
C35H60O6	576.43899	4.243	DG(20:3(5Z,8Z,11Z)-O(14R,15S)/12:0/0:0)	HMDB: HMDB0294606
C35H60O6	576.43899	4.243	DG(12:0/0:0/20:4(5Z,8Z,11Z,14Z)-OH(20))	HMDB: HMDB0294623, HMDB0294624
C35H60O6	576.43899	4.243	DG(20:4(5Z,8Z,11Z,14Z)-OH(16R)/12:0/0:0)	HMDB: HMDB0294642
C35H60O6	576.43899	4.243	DG(i-12:0/20:4(5Z,8Z,11Z,13E)-OH(15S)/0:0)	HMDB: HMDB0298342
C35H60O6	576.43899	4.243	DG(i-12:0/20:4(5Z,8Z,11Z,14Z)-OH(16R)/0:0)	HMDB: HMDB0298338
C35H60O6	576.43899	4.243	DG(12:0/20:4(6E,8Z,11Z,14Z)-OH(5S)/0:0)	HMDB: HMDB0294625
C35H60O6	576.43899	4.243	DG(20:3(5Z,11Z,14Z)-O(8,9)/12:0/0:0)	HMDB: HMDB0294614
C35H60O6	576.43899	4.243	DG(12:0/0:0/20:4(5Z,8Z,11Z,14Z)-OH(18R))	HMDB: HMDB0294635, HMDB0294636
C35H60O6	576.43899	4.243	DG(i-12:0/20:4(5Z,7E,11Z,14Z)-OH(9)/0:0)	HMDB: HMDB0298354
C35H60O6	576.43899	4.243	DG(12:0/20:4(5Z,8Z,11Z,14Z)-OH(17)/0:0)	HMDB: HMDB0294637
C35H60O6	576.43899	4.243	DG(12:0/0:0/20:4(5Z,8Z,11Z,14Z)-OH(17))	HMDB: HMDB0294639, HMDB0294640
C35H60O6	576.43899	4.243	DG(20:4(5Z,8Z,11Z,14Z)-OH(19S)/i-12:0/0:0)	HMDB: HMDB0298327
C35H60O6	576.43899	4.243	DG(20:4(6E,8Z,11Z,14Z)-OH(5S)/i-12:0/0:0)	HMDB: HMDB0298323
C35H60O6	576.43899	4.243	DG(12:0/20:4(5Z,8Z,11Z,14Z)-OH(20)/0:0)	HMDB: HMDB0294621
C35H60O6	576.43899	4.243	DG(20:4(5Z,8Z,10E,14Z)-OH(12S)/12:0/0:0)	HMDB: HMDB0294650
C35H60O6	576.43899	4.243	DG(20:3(5Z,8Z,14Z)-O(11S,12R)/i-12:0/0:0)	HMDB: HMDB0298307
C35H60O6	576.43899	4.243	Bacosterol-3-O-beta-D-glucopyranoside	KNApSAcK: C00029786
C35H60O6	576.43899	4.243	DG(20:4(5Z,8Z,11Z,14Z)-OH(16R)/i-12:0/0:0)	HMDB: HMDB0298339
C35H60O6	576.43899	4.243	DG(12:0/0:0/20:4(5Z,7E,11Z,14Z)-OH(9))	HMDB: HMDB0294659, HMDB0294660
C35H60O6	576.43899	4.243	DG(20:4(5E,8Z,12Z,14Z)-OH(11R)/i-12:0/0:0)	HMDB: HMDB0298351
C35H60O6	576.43899	4.243	DG(i-12:0/0:0/20:4(6E,8Z,11Z,14Z)-OH(5S))	HMDB: HMDB0298324, HMDB0298325
C35H60O6	576.43899	4.243	DG(i-12:0/0:0/20:3(5Z,8Z,11Z)-O(14R,15S))	HMDB: HMDB0298304, HMDB0298305
C35H60O6	576.43899	4.243	DG(i-12:0/0:0/20:4(5Z,8Z,11Z,14Z)-OH(18R))	HMDB: HMDB0298332, HMDB0298333
C35H60O6	576.43899	4.243	DG(20:4(5Z,7E,11Z,14Z)-OH(9)/i-12:0/0:0)	HMDB: HMDB0298355
C35H60O6	576.43899	4.243	DG(20:4(5Z,8Z,11Z,14Z)-OH(18R)/i-12:0/0:0)	HMDB: HMDB0298331
C35H60O6	576.43899	4.243	DG(12:0/20:4(5Z,8Z,11Z,14Z)-OH(18R)/0:0)	HMDB: HMDB0294633
C35H60O6	576.43899	4.243	DG(12:0/20:4(5Z,8Z,11Z,14Z)-OH(16R)/0:0)	HMDB: HMDB0294641
C35H60O6	576.43899	4.243	DG(12:0/20:4(5Z,8Z,10E,14Z)-OH(12S)/0:0)	HMDB: HMDB0294649
C35H60O6	576.43899	4.243	DG(20:4(5Z,7E,11Z,14Z)-OH(9)/12:0/0:0)	HMDB: HMDB0294658
C35H60O6	576.43899	4.243	DG(i-12:0/0:0/20:3(5Z,11Z,14Z)-O(8,9))	HMDB: HMDB0298312, HMDB0298313
C35H60O6	576.43899	4.243	DG(12:0/0:0/20:3(5Z,8Z,14Z)-O(11S,12R))	HMDB: HMDB0294611, HMDB0294612
C35H60O6	576.43899	4.243	DG(12:0/0:0/20:4(5Z,8Z,11Z,14Z)-OH(16R))	HMDB: HMDB0294643, HMDB0294644
C35H60O6	576.43899	4.243	DG(12:0/20:3(8Z,11Z,14Z)-O(5,6)/0:0)	HMDB: HMDB0294617
C35H60O6	576.43899	4.243	DG(12:0/20:4(5E,8Z,12Z,14Z)-OH(11R)/0:0)	HMDB: HMDB0294653
C35H60O6	576.43899	4.243	DG(12:0/20:4(5Z,8Z,11Z,14Z)-OH(19S)/0:0)	HMDB: HMDB0294629
C35H60O6	576.43899	4.243	DG(i-12:0/20:4(5Z,8Z,11Z,14Z)-OH(20)/0:0)	HMDB: HMDB0298318
C35H60O6	576.43899	4.243	DG(20:4(5Z,8Z,11Z,14Z)-OH(17)/12:0/0:0)	HMDB: HMDB0294638
C35H60O6	576.43899	4.243	DG(i-12:0/0:0/20:4(5E,8Z,12Z,14Z)-OH(11R))	HMDB: HMDB0298352, HMDB0298353
C35H60O6	576.43899	4.243	DG(i-12:0/20:3(5Z,8Z,14Z)-O(11S,12R)/0:0)	HMDB: HMDB0298306
C35H60O6	576.43899	4.243	DG(20:4(6E,8Z,11Z,14Z)-OH(5S)/12:0/0:0)	HMDB: HMDB0294626
C35H60O6	576.43899	4.243	DG(20:4(5E,8Z,12Z,14Z)-OH(11R)/12:0/0:0)	HMDB: HMDB0294654
C35H60O6	576.43899	4.243	DG(20:3(5Z,8Z,11Z)-O(14R,15S)/i-12:0/0:0)	HMDB: HMDB0298303
C35H60O6	576.43899	4.243	DG(i-12:0/20:4(5Z,8Z,10E,14Z)-OH(12S)/0:0)	HMDB: HMDB0298346
C35H60O6	576.43899	4.243	DG(i-12:0/20:4(6E,8Z,11Z,14Z)-OH(5S)/0:0)	HMDB: HMDB0298322
C35H60O6	576.43899	4.243	DG(12:0/0:0/20:3(8Z,11Z,14Z)-O(5,6))	HMDB: HMDB0294619, HMDB0294620
C35H60O6	576.43899	4.243	DG(12:0/20:3(5Z,8Z,14Z)-O(11S,12R)/0:0)	HMDB: HMDB0294609
C35H60O6	576.43899	4.243	DG(i-12:0/0:0/20:4(5Z,8Z,11Z,14Z)-OH(16R))	HMDB: HMDB0298340, HMDB0298341
C35H60O6	576.43899	4.243	DG(20:4(5Z,8Z,11Z,14Z)-OH(20)/12:0/0:0)	HMDB: HMDB0294622
C35H60O6	576.43899	4.243	DG(i-12:0/20:3(8Z,11Z,14Z)-O(5,6)/0:0)	HMDB: HMDB0298314
C35H60O6	576.43899	4.243	Eleutheroside A	HMDB: HMDB0033949, HMDB0302569 KEGG: C20785 KNApSAcK: C00019308, C00031628 LipidMAPS: LMST01040197, LMST01040200, LMST01040251
C35H60O6	576.43899	4.243	DG(i-12:0/0:0/20:4(5Z,8Z,10E,14Z)-OH(12S))	HMDB: HMDB0298348, HMDB0298349
C35H60O6	576.43899	4.243	DG(20:4(5Z,8Z,11Z,13E)-OH(15S)/12:0/0:0)	HMDB: HMDB0294646
C35H60O6	576.43899	4.243	DG(12:0/20:3(5Z,8Z,11Z)-O(14R,15S)/0:0)	HMDB: HMDB0294605
C35H60O6	576.43899	4.243	DG(i-12:0/0:0/20:4(5Z,8Z,11Z,13E)-OH(15S))	HMDB: HMDB0298344, HMDB0298345
C35H60O6	576.43899	4.243	DG(20:4(5Z,8Z,11Z,14Z)-OH(18R)/12:0/0:0)	HMDB: HMDB0294634
C35H60O6	576.43899	4.243	DG(i-12:0/20:4(5Z,8Z,11Z,14Z)-OH(19S)/0:0)	HMDB: HMDB0298326
C35H60O6	576.43899	4.243	DG(i-12:0/20:4(5E,8Z,12Z,14Z)-OH(11R)/0:0)	HMDB: HMDB0298350
C35H60O6	576.43899	4.243	DG(20:3(5Z,11Z,14Z)-O(8,9)/i-12:0/0:0)	HMDB: HMDB0298311

MSnスペクトル情報

Level: 2, プリカーサーm/z: 599.43201

Splash: splash10-001i-0002090000-cb2809789da0493b9457

m/z	Int.	NL	Rel.Int.
581.49	102998	18	1000
321.32	25719	278	249
339.33	13596	260	132
265.22	10836	334	105
525.46	8964	74	87
513.47	6675	86	64
563.47	5602	36	54
507.47	5372	92	52

Score	Symbolized Name	MSMS-Category	MSMS-Aglycone
0.000	[2'-Hydroxychalcone]-A(2OH, 1OMe, 1(5-Hydroperoxy-1,7-bis-(4-hydroxyphenyl)-hept-2-enyl))-B(1OH)	2'-Hydroxychalcone	Calyxin A
0.000	[Dihydrochalcone]-A(3OH, 2(C-Glu))-B(1OH)	Dihydrochalcone	Phloretin 3',5'-Di-C-glucoside

Level: 3, プリカーサーm/z: 321.31702

Splash: splash10-014i-0090000000-0924e33f8b6ab40a8ad9

m/z	Int.	NL	Rel.Int.
265.19	15441	56	1000
247.16	3680	74	238
229.24	1643	92	106

Score	Symbolized Name	MSMS-Category	MSMS-Aglycone
0.154	[Flavone]-A(1OH, 1([2,3:@@]-(6,6-Dimethylpyrano)))-B(none)	Flavone	5-Hydroxy-6'',6''-dimethylpyrano[2'',3'':7,8]flavone
0.143	[Isoflavone]-A(1([2,3:@@]-(6,6-Dimethylpyrano)))-B(1OH)	Isoflavone	Erythrinin A
0.143	[Isoflavone]-A(1OH)-B(1([2,3:@@]-(6,6-Dimethylpyrano)))	Isoflavone	Corylin
0.000	[Dihydroflavonol]-A(2OH)-B(3OH)	Dihydroflavonol	3,5,7,3',4',5'-Hexahydroxyflavanone
0.000	[Flavan 3-ol]-A(2OH, 1OMe)-B(2OH)	Flavan 3-ol	3,5,7,3',4'-Pentahydroxy-6-methoxyflavan
0.000	[Flavan 3-ol]-A(2OH)-B(2OH, 1OMe)	Flavan 3-ol	Gallocatechin 4'-methyl ether
0.000	[Auronol]-A(2OH)-B(3OH)	Auronol	Amaronol A
0.000	[alpha-Hydroxychalcone]-A(4OH)-B(2OH)	alpha-Hydroxychalcone	3,4,2',3',4',6',alpha-Heptahydroxychalcone
0.000	[Dihydrochalcone beta-ol]-A(2OH)-B(2OH, 1OMe)	Dihydrochalcone beta-ol	Gliricidol
0.000	[3-substituted Flavanone (3-Methyl)]-A(2OH, 1Cl)-B(1OH)	3-substituted Flavanone	8-Chloro-5,7,4'-trihydroxy-3-C-methylflavanone
0.000	[Flavan 3,4-diol]-A(1OH, 1OMe)-B(2OH)	Flavan 3,4-diol	Mesquitol-4alpha-ol 8-methyl ether
0.000	[Flavan 3,4-diol]-A(2OH)-B(1OH, 1OMe)	Flavan 3,4-diol	Catechin-4-ol 3'-methyl ether
0.000	[Flav-3-ene]-A(1OMe, 1([2,3:@@]-(5-Isopropenyldihydrofurano)))-B(none)	Flav-3-ene	Hildgardtene
0.000	[Pterocarpene]-A(1OH)-B(1([2,3:@@]-(6,6-Dimethylpyrano)))	Pterocarpene	Anhydrotuberosin
0.000	[Coumestan]-A(1([2,3:@@]-Furano))-B(1([@@]-Methylenedioxy))	Coumestan	Erosnin

Level: 3, プリカーサーm/z: 581.49176

Splash: splash10-07g0-0022590000-ed50f98349e8d3bdb696

m/z	Int.	NL	Rel.Int.
525.52	7211	56	1000
489.46	6399	92	887
563.43	5346	18	741
507.49	4218	74	584
471.56	2591	110	359
265.20	2471	316	342
317.28	1455	264	201
545.60	1274	36	176
321.34	992	260	137
247.25	881	334	122
185.17	765	396	106
405.48	746	176	103
335.17	702	246	97
419.43	667	162	92
461.43	648	120	89
277.20	637	304	88
319.40	630	262	87
409.52	629	172	87
253.20	627	328	86
391.54	623	190	86

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(2OH, 1(C-Glu), 1(C-Xylosyl))-B(2OH)	Flavone	Lucenin 1
[Flavone]-A(2OH, 1(C-Glu), 1(C-Xylosyl))-B(2OH)	Flavone	Lucenin 3
[Flavone]-A(2OH, 1(C-Glu), 1(C-Arabinosyl))-B(2OH)	Flavone	Carlinoside
[Flavone]-A(2OH, 1(C-Glu), 1(C-Arabinosyl))-B(2OH)	Flavone	Isocarlinoside
[Flavone]-A(2OH, 1(C-Glu), 1(C-Arabinosyl))-B(2OH)	Flavone	Neocarlinoside