ピーク情報

イネ　玄米　コシヒカリ

pos

Peak #3909 MN MID: SE199_S11_M90

m/z: 369.26346, RT: 57.97, 強度: 1184, ログ強度: -0.35, アダクト: [M+H]+, 共有数（同様のピークを含むサンプル数）: 1

DB検索結果: (18 names) MG(18:3(9,11,15)-OH(13)/0:0/0:0);Prostaglandin F2alpha methyl ester;MG(0:0/18:2(10E,12Z)+=O(9)/0:0);Carboprost;Arvoside A;Protoconstipatic acid;MG(0:0/18:2(9Z,11E)+=O(13)/0:0);Betaenone B;MG(18:3(10,1...

DBごとのヒット数: ALL 18 KG 2 KN 4 HM 10 LM 2

FlavonoidSearch最大スコア MS2: 0.231, MS3: 0.125

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
C21H36O5	368.25627	-0.255	MG(18:3(9,11,15)-OH(13)/0:0/0:0)	HMDB: HMDB0260508
C21H36O5	368.25627	-0.255	Prostaglandin F2alpha methyl ester	HMDB: HMDB0256372 LipidMAPS: LMFA03010115
C21H36O5	368.25627	-0.255	MG(0:0/18:2(10E,12Z)+=O(9)/0:0)	HMDB: HMDB0260540
C21H36O5	368.25627	-0.255	Carboprost	HMDB: HMDB0014573, HMDB0249644 KEGG: C06872 LipidMAPS: LMFA03010080, LMFA03010121
C21H36O5	368.25627	-0.255	Arvoside A	KNApSAcK: C00021273
C21H36O5	368.25627	-0.255	Protoconstipatic acid	KNApSAcK: C00037691
C21H36O5	368.25627	-0.255	MG(0:0/18:2(9Z,11E)+=O(13)/0:0)	HMDB: HMDB0260541
C21H36O5	368.25627	-0.255	MG(18:3(10,12,15)-OH(9)/0:0/0:0)	HMDB: HMDB0260507
C21H36O5	368.25627	-0.255	Betaenone B	KNApSAcK: C00000529
C21H36O5	368.25627	-0.255	MG(18:2(10E,12Z)+=O(9)/0:0/0:0)	HMDB: HMDB0260488
C21H36O5	368.25627	-0.255	gamma-Eudesmol 11-alpha-L-rhamnoside	HMDB: HMDB0037961 KNApSAcK: C00045958
C21H36O5	368.25627	-0.255	MG(18:2(9Z,11E)+=O(13)/0:0/0:0)	HMDB: HMDB0260489
C21H36O5	368.25627	-0.255	9-oxo-11R,15S-dihydroxy-15-methyl-13E-prostaenoic acid	LipidMAPS: LMFA03010056
C21H36O5	368.25627	-0.255	MG(0:0/18:3(10,12,15)-OH(9)/0:0)	HMDB: HMDB0260559
C21H36O5	368.25627	-0.255	Misoprostol acid	HMDB: HMDB0254756
C21H36O5	368.25627	-0.255	Cortol	HMDB: HMDB0003180, HMDB0005821 KEGG: C05482 LipidMAPS: LMST02030228, LMST02030229, LMST02030231, LMST02030233
C21H36O5	368.25627	-0.255	MG(0:0/18:3(9,11,15)-OH(13)/0:0)	HMDB: HMDB0260560
C22H32ON4	368.25761	-3.887	Proterguride	HMDB: HMDB0256868

MSnスペクトル情報

Level: 2, プリカーサーm/z: 369.26190

Splash: splash10-0ufr-0089000000-09da0ec7709967ab33a9

m/z	Int.	NL	Rel.Int.
351.28	846	18	1000
277.31	530	92	626
295.14	170	74	200
207.11	122	162	144
327.29	59	42	69

FlavonoidSearch結果

Score	Symbolized Name	MSMS-Category	MSMS-Aglycone
0.231	[Flavanone]-A(1OH, 1([2,3:@@]-(6,6-Dimethylpyrano)))-B(1OH, 1OMe)	Flavanone	5,3'-Dihydroxy-4'-methoxy-6'',6''-dimethylpyrano[2'',3'':7,8]flavanone
0.231	[Flavanone]-A(2OH)-B(1OMe, 1([2,3:@@]-(6,6-Dimethylpyrano)))	Flavanone	Abyssinin I
0.188	[2'-Hydroxychalcone]-A(1OH, 2OMe, 1(C-Prenyl))-B(1OH)	2'-Hydroxychalcone	4'-O-Methylxanthohumol
0.176	[Flavanone]-A(1OH, 1OMe, 1(C-Prenyl))-B(1OMe)	Flavanone	Flowerine
0.174	[Isoflavone]-A(1OH)-B(2OH, 1OMe, 1(C-Prenyl))	Isoflavone	Kwakhurin
0.154	[Isoflavanone]-A(1OH, 1OMe)-B(1OH, 1([2,3:@@]-(6,6-Dimethylpyrano)))	Isoflavanone	Glycyrrhisoflavanone
0.154	[Isoflavanone]-A(2OH)-B(1OMe, 1([2,3:@@]-(6,6-Dimethylpyrano)))	Isoflavanone	Isosophoronol
0.143	[Flavonol]-A(2OH, 1(C-Prenyl))-B(1OMe)	Flavonol	Noranhydroicaritin 4'-methyl ether
0.125	[Isoflavone]-A(2OH)-B(1OH, 1OMe, 1(C-Prenyl))	Isoflavone	2'-Deoxypiscerythrone
0.125	[Isoflavone]-A(1OH, 1OMe)-B(2OH, 1(C-Prenyl))	Isoflavone	Glisoflavone
0.125	[Isoflavone]-A(2OH, 1(C-Prenyl))-B(1OH, 1OMe)	Isoflavone	Gancaonin B
0.125	[Isoflavone]-A(2OH, 1(C-Prenyl))-B(1OH, 1OMe)	Isoflavone	5,7,4'-Trihydroxy-3'-methoxy-8-prenylisoflavone
0.125	[Isoflavone]-A(2OH, 1(C-Prenyl))-B(1OH, 1OMe)	Isoflavone	Gancaonin N
0.125	[Isoflavone]-A(1OH, 1OMe, 1(C-Prenyl))-B(2OH)	Isoflavone	Barpisoflavone B
0.091	[Flavonol]-A(1OH, 1OMe, 1(C-Prenyl))-B(1OH)	Flavonol	Sophoflavescenol
0.091	[Flavonol]-A(1OH, 1OMe, 1(C-Prenyl))-B(1OH)	Flavonol	Isoanhydroicaritin
0.083	[Flavone]-A(2OH, 1(C-Prenyl))-B(1OH, 1OMe)	Flavone	Cannflavin B
0.067	[Pterocarpan]-A(1OH, 1OMe, 1(C-Prenyl))-B(1OMe)	Pterocarpan	Edulenol
0.000	[Flavanone]-A(2OMe, 1(3-Hydroxy-3-methyl-1-butenyl))-B(none)	Flavanone	Quercetol C
0.000	[Flavanone]-A(2OMe, 1(3-Methyl-2,3-epoxybutyl))-B(none)	Flavanone	Epoxycandidone
0.000	[Flavanone]-A(1OH, 1([2,3:@@]-(6,6-Dimethylpyrano)), 1Hydroxymethyl)-B(1OH)	Flavanone	4',5-Dihydroxy-8-hydroxymethyl-6'',6''-dimethylpyrano[2'',3'':7,6]flavanone
0.000	[UBR-type derivative / 7-Oxo-cyclohex-4a-enyl-type Flavanone]-A(1OH, 2Methyl, 1(1-Methyl-1-([5,4;6,5]-tetrahydrofuran-3-yl)-ethyl))-B(none)	UBR-type derivative / 7-Oxo-cyclohex-4a-enyl-type Flavanone	Louisfieserone A
0.000	[Flavone]-A(1OH, 1([2,3:@@]-(6,6-Dimethyldihydropyrano)))-B(1OH, 1OMe)	Flavone	Ciliatin B
0.000	[3-substituted Flavone (3-C-Prenyl)]-A(1OH, 1OMe)-B(2OH)	3-substituted Flavone	Integrin
0.000	[CCS-type derivative / [2',3]-Prenyloxidoflavone]-A(2OH)-B(2OH)	CCS-type derivative / [2',3]-Prenyloxidoflavone	Cyclochampedol
0.000	[CCS-type derivative / [2',3]-(Epoxy-1,1-dimethylpropyno)flavone]-A(1OH, 1OMe)-B(1OH)	CCS-type derivative / [2',3]-(Epoxy-1,1-dimethylpropyno)flavone	Cyclointegrin
0.000	[CCS-type derivative / [2,2a,5:3',2',3]-7,7-Dimethyltetrahydroisobenzofuranoflavone]-A(2OH)-B(2OH)	CCS-type derivative / [2,2a,5:3',2',3]-7,7-Dimethyltetrahydroisobenzofuranoflavone	Artoindonesianin P
0.000	[Flavonol (3-OMe)]-A(2OH, 1(C-Prenyl))-B(1OH)	Flavonol	Topazolin
0.000	[Flavonol]-A(2OH, 1(1,1-Dimethylallyl))-B(1OMe)	Flavonol	3,5,7-Trihydroxy-4'-methoxy-8-(1,1-dimethylprop-2-en-1-yl)flavone
0.000	[Flavonol (3-OMe)]-A(1OH, 1([2,3:@@]-(4,4,5-Trimethyldihydrofurano)))-B(1OH)	Flavonol	Ugonin C
0.000	[Flavonol]-A(1OH, 1([2,3:@@]-(5-Isopropenyldihydrofurano)))-B(2OH)	Flavonol	Velloquercetin
0.000	[Flavan 4-ol (4-OMe)]-A(2OMe, 1(C-Prenyl))-B(none)	Flavan 4-ol	Quercetol B
0.000	[Flavan-2-ol (2-OMe)]-A(2OMe, 1(C-Prenyl))-B(none)	Flavan-2-ol	Tephrowatsin D
0.000	[Isoflavan]-A(1([2,3:@@]-(6,6-Dimethylpyrano)))-B(1OH, 2OMe)	Isoflavan	Sphaerosinin
0.000	[Isoflavan]-A(1OH, 1([@@]-Methylenedioxy))-B(1OH, 1([2,3:@@]-(6,6-Dimethylpyrano)))	Isoflavan	Leiocinol
0.000	[Pterocarpan]-A(1([2,3:@@]-(6,6-Dimethyl-5-hydroxydihydropyrano)))-B(1([@@]-Methylenedioxy))	Pterocarpan	Neorautanol
0.000	[Pterocarpan]-A(1OMe, 1([2,3:@@]-(6,6-Dimethyldihydropyrano)))-B(1OMe)	Pterocarpan	Edulane
0.000	[Pterocarpan-6a-ol]-A(1([2,3:@@]-(5-(Hydroxyisopropanyl)furano)))-B(1OMe)	Pterocarpan-6a-ol	9-O-Methylglyceofuran
0.000	[Coumestan]-A(1([2,3:@@]-(6,6-Dimethyl-4,5-dihydroxydihydropyrano)))-B(1OH)	Coumestan	Corylidin
0.000	[Rotenone]-A(1OH, 1([2,3:@@]-Furano))-B(2OMe)	Rotenone	Malaccol
0.000	[12a-Hydroxyrotenone]-A(1([2,3:@@]-Furano))-B(2OMe)	12a-Hydroxyrotenone	12a-Hydroxyerosone
0.000	[Coumaranochromon]-A(2OH)-B(1([2,3:@@]-(5-(Hydroxyisopropanyl)dihydrofurano)))	Coumaranochromon	Lupinalbin E
0.000	[Coumaranochromon]-A(1OH, 1([2,3:@@]-(5-(Hydroxyisopropanyl)dihydrofurano)))-B(1OH)	Coumaranochromon	Lupinalbin C
0.000	[3-Phenylcoumarin]-A(1OH, 1OMe, 1(C-Prenyl))-B(2OH)	3-Phenylcoumarin	Glycycoumarin
0.000	[3-Phenylcoumarin]-A(1OH, 1OMe, 1(1,1-Dimethylallyl))-B(2OH)	3-Phenylcoumarin	Licoarylcoumarin
0.000	[3-Phenylcoumarin]-A(1OMe, 1([2,3:@@]-(6,6-Dimethyldihydropyrano)))-B(2OH)	3-Phenylcoumarin	Isoglycycoumarin

Level: 3, プリカーサーm/z: 351.27841

Splash: splash10-004i-0394000000-2c1b1007060925eae9fc

m/z	Int.	NL	Rel.Int.
277.28	165	74	1000
333.32	80	18	485
241.38	21	110	129
259.21	18	92	111
295.29	17	56	101
318.51	16	33	98
293.21	14	58	82
187.27	13	164	78
133.07	13	218	78
165.22	11	186	67
334.51	11	17	64
147.42	10	204	63
151.16	10	200	61
109.06	9	242	56
134.94	9	216	56
156.93	9	194	54
231.05	9	120	53
149.05	9	202	52
351.39	8	-0	51

Score	Symbolized Name	MSMS-Category	MSMS-Aglycone
0.125	[Isoflavone]-A(1OMe, 1([2,3:@@]-(6,6-Dimethylpyrano)))-B(1OH)	Isoflavone	Lanceolone�G4'-Hydroxy-5-methoxy-6'',6''-dimethylpyrano[2'',3'':7,8]isoflavone
0.091	[Isoflavone]-A(1OH, 1([2,3:@@]-(6,6-Dimethylpyrano)))-B(1OMe)	Isoflavone	4'-O-methylalpinumisoflavone
0.091	[Isoflavone]-A(1OH, 1([2,3:@@]-(6,6-Dimethylpyrano)))-B(1OMe)	Isoflavone	4'-O-Methylderrone
0.000	[2'-Hydroxychalcone]-A(1OH, 1([2,3:@@]-(6,6-Dimethylpyrano)))-B(1([@@]-Methylenedioxy))	2'-Hydroxychalcone	Glabrachromene II
0.000	[Flavanone]-A(1([@@]-Methylenedioxy))-B(1([2,3:@@]-(6,6-Dimethylpyrano)))	Flavanone	Ovaliflavanone B
0.000	[Flavone]-A(1([2,3:@@]-(5,5-Dimethyl-4-hydroxy-4,5,3a,6a-tetrahydro-furo[2,3-b]furano)))-B(none)	Flavone	Semiglabrinol
0.000	[Pterocarpan]-A(1([2,3:@@]-(6,6-Dimethylpyrano)))-B(1([@@]-Methylenedioxy))	Pterocarpan	Neorautenane
0.000	[Pterocarpan]-A(1([2,3:@@]-(6,6-Dimethylpyrano)))-B(1([@@]-Methylenedioxy))	Pterocarpan	Leiocarpin

Level: 3, プリカーサーm/z: 277.30933

Splash: splash10-0a4i-0970000000-9ba0fc4f58aba68203f2

m/z	Int.	NL	Rel.Int.
259.37	46	18	1000
175.26	20	102	433
241.05	19	36	411
150.99	16	126	351
249.32	13	28	292
147.17	12	130	269
107.01	11	170	241
135.08	11	142	240
161.06	9	116	203
159.08	8	118	174
207.14	8	70	163
195.06	7	82	157
231.28	6	46	138
193.30	6	84	131
213.01	6	64	128
148.86	6	128	119
93.07	5	184	119
94.99	5	182	109
133.12	5	144	101
170.99	5	106	100