ピーク情報

イネ　玄米　コシヒカリ

pos

Peak #5419 MN MID: SE199_S11_M90

m/z: 522.28354, RT: 87.67, 強度: 404255, ログ強度: 2.18, アダクト: [M+H]+, 共有数（同様のピークを含むサンプル数）: 3

DB検索結果: (3 names) LysoPS(18:2(9Z,12Z)/0:0);Batrachotoxinin A 20-alpha-benzoate;Lythrancepine III

DBごとのヒット数: ALL 3 KN 1 HM 1 LM 1

FlavonoidSearch最大スコア MS2: -, MS3: 0.035

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
C24H44O9NP	521.27537	1.705	LysoPS(18:2(9Z,12Z)/0:0)	HMDB: HMDB0240604 LipidMAPS: LMGP03050011
C31H39O6N	521.27774	-2.838	Batrachotoxinin A 20-alpha-benzoate	HMDB: HMDB0248883
C31H39O6N	521.27774	-2.838	Lythrancepine III	KNApSAcK: C00051377

MSnスペクトル情報

Level: 2, プリカーサーm/z: 522.28198

Splash: splash10-0udi-0003090000-2478013365a0d7b4387b

m/z	Int.	NL	Rel.Int.
504.18	29344	18	1000
337.38	9784	185	333
263.28	2942	259	100
417.19	2084	105	71

Level: 3, プリカーサーm/z: 504.12988

Splash: splash10-03di-0090100000-af42c9666527493d59e3

m/z	Int.	NL	Rel.Int.
263.20	6436	241	1000
245.26	2546	259	395
417.08	1499	87	232
154.95	736	349	114
350.36	385	154	59
444.43	368	60	57

Level: 3, プリカーサーm/z: 337.37640

Splash: splash10-07bs-0931000000-1b1a2f6b9fed67678f31

m/z	Int.	NL	Rel.Int.
319.21	249	18	1000
135.14	222	202	890
245.13	214	92	860
263.35	183	74	736
107.14	168	230	673
133.12	153	204	613
109.12	135	228	540
163.20	133	174	532
189.27	121	148	486
175.15	120	162	480
119.11	108	218	431
121.15	106	216	427
301.34	95	36	381
149.16	89	188	358
203.16	86	134	345
273.29	82	64	327
161.23	81	176	324
147.09	70	190	279
123.24	65	214	260
131.02	65	206	259

FlavonoidSearch結果

Score	Symbolized Name	MSMS-Category	MSMS-Aglycone
0.107	[Flavanone]-A(1([2,3:@@]-(6,6-Dimethylpyrano)))-B(1OMe)	Flavanone	Dorspoinsettifolin
0.105	[Isoflavone]-A(1OH)-B(1OMe, 1(C-Prenyl))	Isoflavone	4'-O-Methylneobavaisoflavone
0.103	[Chalcone]-A(1OH)-B(1OMe, 1([2,3:@@]-(6,6-Dimethylpyrano)))	Chalcone	Licoagrochalcone B
0.103	[Flavone]-A(1OH, 1([2,3:@@]-(6,6-Dimethylpyrano)))-B(1OH)	Flavone	Atalantoflavone
0.103	[Flavone]-A(1OH, 1([2,3:@@]-(6,6-Dimethylpyrano)))-B(1OH)	Flavone	Carpachromene
0.067	[Flavone]-A(2OH)-B(1([2,3:@@]-(6,6-Dimethylpyrano)))	Flavone	Yinyanghuo C
0.065	[Isoflavone]-A(2OH)-B(1([2,3:@@]-(6,6-Dimethylpyrano)))	Isoflavone	Isoderrone
0.065	[Isoflavone]-A(1OH)-B(1OH, 1([2,3:@@]-(6,6-Dimethylpyrano)))	Isoflavone	Glabrone
0.065	[Isoflavone]-A(1OH)-B(1OH, 1([2,3:@@]-(6,6-Dimethylpyrano)))	Isoflavone	Puerarone
0.065	[Isoflavone]-A(1OH, 1([2,3:@@]-(6,6-Dimethylpyrano)))-B(1OH)	Isoflavone	Alpinumisoflavone
0.065	[Isoflavone]-A(1OH, 1([2,3:@@]-(6,6-Dimethylpyrano)))-B(1OH)	Isoflavone	Derrone
0.034	[2'-Hydroxychalcone]-A(1OH, 1OMe, 1([2,3:@@]-(6,6-Dimethylpyrano)))-B(none)	2'-Hydroxychalcone	Oaxacacin
0.034	[2'-Hydroxychalcone]-A(1OH, 1OMe, 1([2,3:@@]-(6,6-Dimethylpyrano)))-B(none)	2'-Hydroxychalcone	Pongachalcone I
0.034	[2'-Hydroxychalcone]-A(1OH, 1OMe, 1([2,3:@@]-(6,6-Dimethylpyrano)))-B(none)	2'-Hydroxychalcone	Cedreprenone
0.034	[2'-Hydroxychalcone]-A(1OH, 1([2,3:@@]-(6,6-Dimethylpyrano)))-B(1OMe)	2'-Hydroxychalcone	4-Methoxylonchocarpin
0.033	[Flavanone]-A(1OMe, 1([2,3:@@]-(6,6-Dimethylpyrano)))-B(none)	Flavanone	Ovalichromene
0.033	[Flavanone]-A(1OMe, 1([2,3:@@]-(6,6-Dimethylpyrano)))-B(none)	Flavanone	Obovatin methyl ether
0.000	[Coumestan]-A(1OH, 1(C-Prenyl))-B(1OH)	Coumestan	Psoralidin
0.000	[Coumestan]-A(1OH)-B(1OH, 1(C-Prenyl))	Coumestan	Isosojagol
0.000	[Coumestan]-A(1OH, 1(C-Prenyl))-B(1OH)	Coumestan	Phaseol
0.000	[Pterocarpan]-A(1([2,3:@@]-(6,6-Dimethylpyrano)))-B(1OMe)	Pterocarpan	Hemileiocarpin
0.000	[2-(alpha-oxobenzyl)benzofuran (3-OMe)]-A(1([2,3:@@]-Furano))-B(1([@@]-Methylenedioxy))	2-(alpha-oxobenzyl)benzofuran	Derriobtusone B
0.000	[2'-Hydroxychalcone]-A(1OH, 1OMe, 1([2,3:@@]-(5-Isopropenyldihydrofurano)))-B(none)	2'-Hydroxychalcone	Crassichalcone
0.000	[2'-Hydroxychalcone]-A(2OH, 1([2,3:@@]-(6,6-Dimethylpyrano)), 1Methyl)-B(none)	2'-Hydroxychalcone	2',4'-Dihydroxy-3',6'',6''-trimethylpyrano[2'',3'':6',5']chalcone
0.000	[beta-Hydroxy(or Oxodihydro)chalcone]-A(1OMe, 1([2,3:@@]-(6,6-Dimethylpyrano)))-B(none)	beta-Hydroxy(or Oxodihydro)chalcone	6'-Demethoxypraecansone B
0.000	[Flavanone]-A(1OH, 1OMe, 1(3-Methylbutadienyl))-B(none)	Flavanone	Tephroleocarpin B
0.000	[Flavanone]-A(1OMe, 1([2,3:@@]-(5-Isopropenyldihydrofurano)))-B(none)	Flavanone	Emoroidenone
0.000	[Flavone]-A(1OMe, 1(3-Hydroxy-3-methyl-1-butenyl))-B(none)	Flavone	Lanceolatin A(flavonoid)
0.000	[Flavone]-A(1OH, 1([2,3:@@]-(5-Isopropenyldihydrofurano)))-B(1OH)	Flavone	Ciliatin A
0.000	[Flavonol (3-OMe)]-A(1([2,3:@@]-Furano))-B(1([@@]-Methylenedioxy))	Flavonol	Pongapin
0.000	[Flav-3-ene]-A(2OMe, 1(C-Prenyl))-B(none)	Flav-3-ene	Tephrowatsin B
0.000	[Isoflavone]-A(1([2,3:@@]-Furano))-B(1OMe, 1([@@]-Methylenedioxy))	Isoflavone	Dehydroneotenone
0.000	[Isoflavone]-A(1OMe, 1([2,3:@@]-Furano))-B(1([@@]-Methylenedioxy))	Isoflavone	Garhwalin
0.000	[Pterocarpan-6a-ol]-A(1([2,3:@@]-(5-(Hydroxyisopropanyl)furano)))-B(1OH)	Pterocarpan-6a-ol	Clandestacarpin
0.000	[Coumestan]-A(1OH)-B(1([2,3:@@]-(6,6-Dimethyldihydropyrano)))	Coumestan	Sojagol
0.000	[Coumestan]-A(1([2,3:@@]-(6,6-Dimethyldihydropyrano)))-B(1OH)	Coumestan	Isopsoralidin
0.000	[Rotenone]-A(1([2,3:@@]-Furano))-B(1([@@]-Methylenedioxy))	Rotenone	Dolineone
0.000	[3-Phenylcoumarin]-A(1([2,3:@@]-Furano))-B(1OMe, 1([@@]-Methylenedioxy))	3-Phenylcoumarin	Pachyrrhizin