ピーク情報

イネ　玄米　ニッポンバレ

pos

Peak #5418 MN MID: SE199_S21_M90

m/z: 401.29009, RT: 86.79, 強度: 15493, ログ強度: 0.79, アダクト: [M+H]+, 共有数（同様のピークを含むサンプル数）: 2

DB検索結果: (2 names) 16-(3,6-dideoxy-alpha-L-arabino-hexopyranosyloxy)-2E-hexadecenoic acid;15R-(3,6-dideoxy-alpha-L-arabino-hexopyranosyloxy)-2E-hexadecenoic acid

DBごとのヒット数: ALL 2 LM 2

FlavonoidSearch最大スコア MS2: 0.059, MS3: 0.417

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
C22H40O6	400.28249	0.819	16-(3,6-dideoxy-alpha-L-arabino-hexopyranosyloxy)-2E-hexadecenoic acid	LipidMAPS: LMFA13040073
C22H40O6	400.28249	0.819	15R-(3,6-dideoxy-alpha-L-arabino-hexopyranosyloxy)-2E-hexadecenoic acid	LipidMAPS: LMFA13040026

MSnスペクトル情報

Level: 2, プリカーサーm/z: 401.28955

Splash: splash10-000i-0029000000-4d7a853f58fbba20619c

m/z	Int.	NL	Rel.Int.
335.23	3950	66	1000
239.04	1091	162	276
334.51	787	67	199
383.19	377	18	95
237.19	244	164	61
127.01	240	274	60

FlavonoidSearch結果

Score	Symbolized Name	MSMS-Category	MSMS-Aglycone
0.059	[Dihydroflavonol]-A(1OH, 1OMe, 1(C-Prenyl))-B(1OH, 1OMe)	Dihydroflavonol	3,5,4'-Trihydroxy-7,3'-dimethoxy-6-prenylflavanone
0.059	[Dihydroflavonol]-A(1OH, 1OMe, 1(C-Prenyl))-B(1OH, 1OMe)	Dihydroflavonol	Isotirumalin
0.059	[Dihydroflavonol]-A(1OH, 1OMe, 1(C-Prenyl))-B(1OH, 1OMe)	Dihydroflavonol	Scariosin
0.059	[Dihydroflavonol]-A(1OH, 1OMe, 1(C-Prenyl))-B(1OH, 1OMe)	Dihydroflavonol	Tirumalin
0.050	[Flavanone]-A(1OH, 1OMe, 1(C-Prenyl))-B(2OH, 1OMe)	Flavanone	Kenusanone E
0.000	[2'-Hydroxychalcone]-A(2OH)-B(1([2,3:@@]-(4-Formyl-5-(p-Hydroxyphenyl)furano)))	2'-Hydroxychalcone	Lophirone D
0.000	[Flavanone]-A(1OMe)-B(1([2,3:@@]-(5-(p-Methoxyphenyl)furano)))	Flavanone	Lophirone J
0.000	[Flavone]-A(2OH, 1(C-Digitoxopyranosyl))-B(1OH)	Flavone	Torosaflavone A
0.000	[Flavone]-A(2OH, 1(C-(beta-D-Oliosyl))-B(1OH)	Flavone	6-C-beta-D-Oliopyranosylapigenin
0.000	[Flavone]-A(2OH, 1(C-(beta-D-Boivinosyl))-B(1OH)	Flavone	6-C-beta-D-Boivinopyranosylapigenin
0.000	[Flavone]-A(2OH, 1(C-(beta-D-Epioliosyl))-B(1OH)	Flavone	6-C-beta-D-Epioliosylapigenin
0.000	[Dihydroflavonol]-A(2OH, 1OMe)-B(1OH)-C(1(O-Angeloyl))	Dihydroflavonol	3,5,7,4'-Tetrahydroxy-8-methoxyflavanone 3-O-angelate
0.000	[Flavonol]-A(1OH, 1([2,3:@@]-(4-Phenyl-4,5-dihydro-6-oxopyrano)))-B(none)	Flavonol	8-(2-Carboxy-1-phenylethyl)-3,5,7-trihydroxyflavone delta-lactone
0.000	[Flavonol]-A(2OH, 1(3-methylsuccinoyl))-B(1OH)	Flavonol	3,5,7,4'-Tetrahydroxy-8-C-(3-methylsuccinoyl)flavone
0.000	[Flavonol]-A(2OH, 1(3-hydroxy-3-methylbutyl))-B(1OMe)	Flavonol	Brevicornin
0.000	[Flavonol (3-OMe)]-A(1OMe, 1([@@]-Methylenedioxy))-B(1OMe, 1([@@]-Methylenedioxy))	Flavonol	3,5,3'-Trimethoxy-6,7:4',5'-bis(methylenedioxy)flavone
0.000	[Flavonol (3-OMe)]-A(2OMe, 1([@@]-Methylenedioxy))-B(1([@@]-Methylenedioxy))	Flavonol	3,5,8-Trimethoxy-6,7:3',4'-bis(methylenedioxy)flavone
0.000	[Isoflavanone-3-ol]-A(2OH)-B(2OMe, 1(C-Prenyl))	Isoflavanone-3-ol	Echinoisoflavanone
0.000	[Coumestan]-A(1OH)-B(1OH, 1OMe, 1(2,3-Dihydroxy-3-methylbutyl))	Coumestan	Mirificoumestan glycol

Level: 3, プリカーサーm/z: 335.22787

Splash: splash10-016r-0196000000-21072a91db61b1988398

m/z	Int.	NL	Rel.Int.
317.32	455	18	1000
275.28	249	60	548
293.26	105	42	231
307.35	85	28	185
237.35	66	98	145
137.06	52	198	114
299.18	50	36	110
289.33	46	46	100
279.21	45	56	98
123.04	42	212	91
265.19	36	70	78
277.06	33	58	72
261.28	33	74	72
151.07	32	184	70
233.08	30	102	66
257.15	24	78	52

Score	Symbolized Name	MSMS-Category	MSMS-Aglycone
0.417	[Flavonol]-A(4OH)-B(2OH)	Flavonol	8-Hydroxyquercetagetin
0.360	[Flavonol]-A(3OH)-B(3OH)	Flavonol	3,5,6,7,2',3',4'-Heptahydroxyflavone
0.360	[Flavonol]-A(3OH)-B(3OH)	Flavonol	Hibiscetin
0.308	[Isoflavone]-A(1([2,3:@@]-(6,6-Dimethylpyrano)))-B(1OMe)	Isoflavone	Calopogoniumisoflavone A
0.150	[Dihydroflavonol]-A(2OH, 1OMe)-B(2OH)	Dihydroflavonol	Diosalol
0.150	[Dihydroflavonol]-A(2OH)-B(2OH, 1OMe)	Dihydroflavonol	3,5,7,4',5'-Pentahydroxy-3'-methoxyflavanone
0.150	[Dihydroflavonol]-A(2OH)-B(2OH, 1OMe)	Dihydroflavonol	Pallasiin
0.105	[Coumestan]-A(1OH)-B(1([2,3:@@]-(6,6-Dimethylpyrano)))	Coumestan	Sophoracoumestan A
0.053	[Flavone]-A(1OMe, 1([2,3:@@]-(6,6-Dimethylpyrano)))-B(none)	Flavone	Isopongaflavone
0.053	[Flavone]-A(1OMe, 1([2,3:@@]-(6,6-Dimethylpyrano)))-B(none)	Flavone	5-Methoxy-2,2-dimethyl-8-phenyl-2H,6H-benzo[1,2-b:5,4-b']dipyran-6-one
0.000	[Auronol]-A(2OH)-B(2OH, 1OMe)	Auronol	Amaronol B
0.000	[Dihydroflavonol]-A(2OH)-B(2OH, 1Hydroxymethyl)	Dihydroflavonol	6'-Hydroxymethyltaxifolin
0.000	[Dihydroflavonol]-A(2OH, 1Methyl)-B(3OH)	Dihydroflavonol	Cedrin
0.000	[Flavonol (3-OMe)]-A(1([2,3:@@]-(6,6-Dimethylpyrano)))-B(none)	Flavonol	Karanjachromene
0.000	[Flavan 3,4-diol (3-OMe)]-A(1OH, 1OMe)-B(2OH)	Flavan 3,4-diol	Mesquitol-4beta-ol 3,8-dimethyl ether
0.000	[Pterocarpene]-A(1OMe)-B(1([2,3:@@]-(6,6-Dimethylpyrano)))	Pterocarpene	3-O-Methylanhydrotuberosin
0.000	[Dehydrorotenone]-A(1([2,3:@@]-Furano))-B(1([@@]-Methylenedioxy))	Dehydrorotenone	Dehydrodolineone

Level: 3, プリカーサーm/z: 239.03909

Splash: splash10-0089-7910000000-e1631473b8852936b5b2

m/z	Int.	NL	Rel.Int.
83.06	10	156	1000
123.12	7	116	697
95.15	7	144	641
151.02	6	88	574
80.92	5	158	498
221.32	5	18	476
138.94	5	100	454
179.17	5	60	447
165.35	4	74	377
137.05	3	102	289
109.01	2	130	234
97.12	2	142	153
98.82	1	140	124

Score	Symbolized Name	MSMS-Category	MSMS-Aglycone
0.150	[Flavone]-A(1OH)-B(none)	Flavone	Primuletin
0.095	[Flavone]-A(none)-B(1OH)	Flavone	2'-Hydroxyflavone
0.095	[Chalcone]-A(1OMe)-B(none)	Chalcone	4'-Methoxychalcone
0.000	[Aurone]-A(none)-B(1OH)	Aurone	2'-Hydroxyaurone