ピーク情報

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pos

Peak #7670 MN MID: SE199_S31_M90

m/z: 321.20613, RT: 73.88, 強度: 9914, ログ強度: 0.44, 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: (27 names) (-)-Coralloidin D;Coralloidin D;(R)-2-(3,4,4a,5,6,7-Hexahydro-4a,8-dimethyl-2(1H)-naphthalenylidene)-1,3-propanediol diacetate;Oryzalide B;Flexilin;Agglomerin D;Antibiotic PB 6042D;QH2;Paralemnolin E;...

DBごとのヒット数: ALL 20 KG 3 KN 11 HM 5 LM 1

FlavonoidSearch最大スコア MS2: 0.200, MS3: 0.135

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
C19H28O4	320.19876	0.281	(-)-Coralloidin D	KNApSAcK: C00012721
C19H28O4	320.19876	0.281		LipidMAPS: LMPR0103010034
C19H28O4	320.19876	0.281	Oryzalide B	HMDB: HMDB0037592
C19H28O4	320.19876	0.281	Flexilin	KNApSAcK: C00011386
C19H28O4	320.19876	0.281	Agglomerin D	KNApSAcK: C00017548
C19H28O4	320.19876	0.281	QH2	HMDB: HMDB0001304
C19H28O4	320.19876	0.281	Paralemnolin E	KNApSAcK: C00030925, C00030928
C19H28O4	320.19876	0.281	Methyl (1R,2R)-4-oxo-5-(2-oxo-3E-pentenyl)-2-cyclopentene-1-octanoate	LipidMAPS: LMFA02030075
C19H28O4	320.19876	0.281	10-Acetylpanaxytriol	HMDB: HMDB0039821
C19H28O4	320.19876	0.281	(8R,9S,10R,13S,14S,17S)-2,2,17-Trihydroxy-10,13-dimethyl-6,7,8,9,11,12,14,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-3-one	HMDB: HMDB0257961
C19H28O4	320.19876	0.281	Testolate	KEGG: C01618 LipidMAPS: LMST02020081
C19H28O4	320.19876	0.281	Cespihypotin T	KNApSAcK: C00048648
C19H28O4	320.19876	0.281	1,10-Diacetoxy-3(15)-gymnomitrene	KNApSAcK: C00021887
C19H28O4	320.19876	0.281	ent-17-Nor-3,8-dioxo-13Z-labden-15-oic acid	KNApSAcK: C00023405
C19H28O4	320.19876	0.281	[8]-Gingerdione	HMDB: HMDB0039276
C19H28O4	320.19876	0.281	(E,E)-2-[2-(2,6,6-Trimethyl-2-cyclohexen-1-yl)ethyl]-1,3-butadiene-1,4-diol diacetate	KNApSAcK: C00011553
C19H28O4	320.19876	0.281	Oryzalide A	HMDB: HMDB0037591
C19H28O4	320.19876	0.281	10beta-Hydroxy-6beta-isobutyrylfuranoeremophilane	KEGG: C09685 KNApSAcK: C00003148
C19H28O4	320.19876	0.281	(E,E)-(-)-2-[2-(2,2-Dimethyl-6-methylenecyclohexyl)ethyl]-1,3-butadiene-1,4-diol diacetate	KNApSAcK: C00011554
C19H28O4	320.19876	0.281	5'-Carboxy-alpha-chromanol	HMDB: HMDB0012798 LipidMAPS: LMPR02020079
C19H28O4	320.19876	0.281	Antibiotic MB 530A	KNApSAcK: C00018632
C19H28O4	320.19876	0.281	Hericenol A	KNApSAcK: C00037266

MSnスペクトル情報

Level: 2, プリカーサーm/z: 321.20593

Splash: splash10-0udi-0009000000-ee289d7288599c69b7b5

m/z	Int.	NL	Rel.Int.
303.08	25497	18	1000

Score	Symbolized Name	MSMS-Category	MSMS-Aglycone
0.200	[Flavan 3-ol]-A(2OH, 1OMe)-B(2OH)	Flavan 3-ol	3,5,7,3',4'-Pentahydroxy-6-methoxyflavan
0.200	[Flavan 3-ol]-A(2OH)-B(2OH, 1OMe)	Flavan 3-ol	Gallocatechin 4'-methyl ether
0.143	[Dihydroflavonol]-A(2OH)-B(3OH)	Dihydroflavonol	3,5,7,3',4',5'-Hexahydroxyflavanone
0.083	[Flavone]-A(1OH, 1([2,3:@@]-(6,6-Dimethylpyrano)))-B(none)	Flavone	5-Hydroxy-6'',6''-dimethylpyrano[2'',3'':7,8]flavone
0.077	[Isoflavone]-A(1([2,3:@@]-(6,6-Dimethylpyrano)))-B(1OH)	Isoflavone	Erythrinin A
0.077	[Isoflavone]-A(1OH)-B(1([2,3:@@]-(6,6-Dimethylpyrano)))	Isoflavone	Corylin
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: 303.12543

Splash: splash10-0550-0390000000-38ebb8a6ef6cd98ef1d3

m/z	Int.	NL	Rel.Int.
285.16	1953	18	1000
257.19	1646	46	842
275.14	1139	28	583
215.05	637	88	326
187.07	595	116	304
197.11	595	106	304
157.05	567	146	290
229.22	554	74	283
247.22	470	56	240
201.18	284	102	145
239.19	269	64	137
173.14	251	130	128
163.06	217	140	111
267.33	191	36	97
171.06	181	132	92
245.09	177	58	90
121.10	172	182	88
144.96	158	158	80
199.11	147	104	75
259.28	143	44	73

FlavonoidSearch結果

Score	Symbolized Name	MSMS-Category	MSMS-Aglycone
0.348	[Anthocyanidin]-A(2OH)-B(3OH)	Anthocyanidin	Delphinidin
0.348	[Anthocyanidin]-A(3OH)-B(2OH)	Anthocyanidin	6-Hydroxycyanidin
0.267	[Flavonol]-A(3OH)-B(1OH)	Flavonol	6-Hydroxykaempferol
0.267	[Flavonol]-A(3OH)-B(1OH)	Flavonol	Herbacetin
0.267	[Flavonol]-A(1OH)-B(3OH)	Flavonol	Robinetin
0.267	[Flavonol]-A(1OH)-B(3OH)	Flavonol	3,7,2',3',4'-Pentahydroxyflavone
0.240	[Flavone]-A(3OH)-B(2OH)	Flavone	6-Hydroxyluteolin
0.240	[Flavone]-A(3OH)-B(2OH)	Flavone	Hypolaetin
0.240	[Flavone]-A(2OH)-B(3OH)	Flavone	Tricetin
0.240	[Flavone]-A(2OH)-B(3OH)	Flavone	Isoetin
0.233	[Flavonol]-A(2OH)-B(2OH)	Flavonol	3,5,7,2',5'-Pentahydroxyflavone
0.233	[Flavonol]-A(2OH)-B(2OH)	Flavonol	Viscidulin I
0.231	[Isoflavone]-A(3OH)-B(2OH)	Isoflavone	5,7,8,2',4'-Pentahydroxyisoflavone
0.226	[Flavonol]-A(2OH)-B(2OH)	Flavonol	Rhynchosin
0.226	[Flavonol]-A(2OH)-B(2OH)	Flavonol	Melanoxetin
0.226	[Flavonol]-A(2OH)-B(2OH)	Flavonol	Quercetin
0.226	[Flavonol]-A(2OH)-B(2OH)	Flavonol	Morin
0.148	[Chalcone]-A(2OH)-B(2OH, 1OMe)	Chalcone	3,4,3',4'-Tetrahydroxy-2-methoxychalcone
0.115	[Isoflavanone]-A(1OH)-B(2OH, 1OMe)	Isoflavanone	7,2',3'-Trihydroxy-4'-methoxyisoflavanone
0.115	[Isoflavanone]-A(2OH)-B(1OH, 1OMe)	Isoflavanone	Ferreirin
0.115	[Isoflavanone]-A(2OH)-B(1OH, 1OMe)	Isoflavanone	Isoferreirin
0.091	[Dihydroflavonol]-A(2OH, 1OMe)-B(none)	Dihydroflavonol	3,5,8-Trihydroxy-7-methoxyflavanone
0.091	[Dihydroflavonol]-A(1OH, 1OMe)-B(1OH)	Dihydroflavonol	Aromadendrin 5-methyl ether
0.091	[Dihydroflavonol]-A(1OH, 1OMe)-B(1OH)	Dihydroflavonol	Aromadendrin 7-methyl ether
0.080	[Dihydroflavonol]-A(2OH, 1OMe)-B(none)	Dihydroflavonol	Alnustinol
0.080	[Dihydroflavonol]-A(2OH)-B(1OMe)	Dihydroflavonol	Aromadendrin 4'-methyl ether
0.074	[2'-Hydroxychalcone]-A(2OH, 1OMe)-B(2OH)	2'-Hydroxychalcone	Lanceoletin
0.074	[2'-Hydroxychalcone]-A(3OH)-B(1OH, 1OMe)	2'-Hydroxychalcone	Okanin 4-methyl ether
0.074	[2'-Hydroxychalcone]-A(3OH)-B(1OH, 1OMe)	2'-Hydroxychalcone	4,2',4',6'-Tetrahydroxy-3-methoxychalcone
0.069	[Flavanone]-A(3OH, 1OMe)-B(none)	Flavanone	Oresbiusin
0.069	[Flavanone]-A(2OH, 1OMe)-B(1OH)	Flavanone	5,7,4'-Trihydroxy-6-methoxyflavanone
0.069	[Flavanone]-A(2OH, 1OMe)-B(1OH)	Flavanone	5,8,2'-Trihydroxy-7-methoxyflavanone
0.069	[Flavanone]-A(2OH, 1OMe)-B(1OH)	Flavanone	5,7,4'-Trihydroxy-8-methoxyflavanone
0.069	[Flavanone]-A(2OH)-B(1OH, 1OMe)	Flavanone	Alysifolinone
0.069	[Flavanone]-A(2OH)-B(1OH, 1OMe)	Flavanone	Homoeriodictyol
0.069	[Flavanone]-A(2OH)-B(1OH, 1OMe)	Flavanone	Hesperetin
0.069	[Flavanone]-A(1OH, 1OMe)-B(2OH)	Flavanone	8-Methoxybutin
0.069	[Flavanone]-A(1OH, 1OMe)-B(2OH)	Flavanone	7,2',6'-Trihydroxy-5-methoxyflavanone
0.069	[Flavanone]-A(1OH, 1OMe)-B(2OH)	Flavanone	Scutamoenin
0.069	[Flavanone]-A(1OH, 1OMe)-B(2OH)	Flavanone	5,2',3'-Trihydroxy-7-methoxyflavanone
0.069	[Flavanone]-A(1OH, 1OMe)-B(2OH)	Flavanone	Eriodictyol 5-methyl ether
0.069	[Flavanone]-A(1OH, 1OMe)-B(2OH)	Flavanone	Sternbin
0.069	[Flavanone]-A(1OH, 1OMe)-B(2OH)	Flavanone	Artocarpanone
0.069	[Flavanone]-A(3OH)-B(1OMe)	Flavanone	4'-O-Methylcarthamidin
0.069	[Flavanone]-A(3OH)-B(1OMe)	Flavanone	5,7,8-Trihydroxy-4'-methoxyflavanone
0.045	[Dihydroflavonol (3-OMe)]-A(1OH)-B(2OH)	Dihydroflavonol	3-O-Methyl-2,3-trans-fustin
0.042	[Flavan 3-ol]-A(1OH, 1OMe)-B(1OMe)	Flavan 3-ol	Afzelechin 5,4'-dimethyl ether
0.040	[Dihydroflavonol (3-OMe)]-A(2OH)-B(1OH)	Dihydroflavonol	Aromadendrin 3-methyl ether
0.000	[Isoflavan]-A(1OH, 1OMe)-B(1OH, 1OMe)	Isoflavan	5-Methoxyvestitol
0.000	[Isoflavan]-A(2OMe)-B(2OH)	Isoflavan	Lotisoflavan
0.000	[Isoflavan]-A(1OH)-B(1OH, 2OMe)	Isoflavan	Sphaerosin
0.000	[Isoflavan]-A(1OH)-B(1OH, 2OMe)	Isoflavan	4',7-Dihydroxy-2',3'-dimethoxyisoflavan (+-)
0.000	[Isoflavan]-A(1OH)-B(1OH, 2OMe)	Isoflavan	Mucronulatol
0.000	[Isoflavan]-A(1OH)-B(1OH, 2OMe)	Isoflavan	Isomucronulatol
0.000	[Isoflavan]-A(1OH)-B(1OH, 2OMe)	Isoflavan	Methoxyvestitol
0.000	[Dihydrochalcone]-A(1OH, 2OMe)-B(1OH)	Dihydrochalcone	Dihydroflavokawain C
0.000	[Dihydrochalcone]-A(1OH)-B(1OH, 2OMe)	Dihydrochalcone	2,4'-Dihydroxy-4,6-dimethoxydihydrochalcone
0.000	[Dihydrochalcone]-A(1OH)-B(1OH, 2OMe)	Dihydrochalcone	4,4'-Dihydroxy-2,6-dimethoxydihydrochalcone
0.000	[Dihydrochalcone]-A(2OH, 1OMe)-B(1OMe)	Dihydrochalcone	Lusianin
0.000	[Dihydrochalcone]-A(2OH, 1OMe)-B(1OMe)	Dihydrochalcone	Calomelanone
0.000	[Dihydrochalcone]-A(2OH, 1OMe)-B(1OMe)	Dihydrochalcone	2',4'-Dihydroxy-4,6'-dimethoxydihydrochalcone
0.000	[Dihydrochalcone]-A(2OH, 2OMe)-B(none)	Dihydrochalcone	Dihydropashanone
0.000	[Dihydrochalcone]-A(2OH, 2OMe)-B(none)	Dihydrochalcone	2',4'-Dihydroxy-3',6'-dimethoxydihydrochalcone
0.000	[Dihydrochalcone]-A(2OH, 2OMe)-B(none)	Dihydrochalcone	2',3'-Dihydroxy-4',6'-dimethoxydihydrochalcone
0.000	[Aurone]-A(2OH)-B(3OH)	Aurone	Bracteatin
0.000	[Auronol]-A(1OH)-B(1OH, 1OMe)	Auronol	2,6,3'-Trihydroxy-4'-methoxy-2-benzylcoumaranone
0.000	[Auronol]-A(1OH, 1OMe)-B(1OH)	Auronol	Carpusin
0.000	[Dihydrochalcone]-A(2OH, 1OMe, 1Methyl)-B(1OH)	Dihydrochalcone	4,2',6'-Trihydroxy-4'-methoxy-3'-methyldihydrochalcone
0.000	[Dihydrochalcone alpha-ol]-A(1OH, 1OMe)-B(1OMe)	Dihydrochalcone alpha-ol	Odoratol
0.000	[UBR-type derivative / 2'-Oxocyclohexa-4',6'-dienyl-type Dihydrochalcone]-A(3OH, 2Methyl)-B(none)	UBR-type derivative / 2'-Oxocyclohexa-4',6'-dienyl-type Dihydrochalcone	Ceratiolin
0.000	[Flavanone]-A(2OH, 1Methyl)-B(2OH)	Flavanone	5,7,3',5'-Tetrahydroxy-6-methylflavanone
0.000	[Flavanone]-A(2OH, 1Methyl)-B(2OH)	Flavanone	6-C-Methyleriodictylol
0.000	[Flavanone]-A(2OH)-B(2OH, 1Methyl)	Flavanone	5'-C-Methyleriodictylol
0.000	[Dihydroflavonol]-A(2OH, 1Methyl)-B(1OH)	Dihydroflavonol	6-Methylaromadendrin
0.000	[Flavan 4-ol]-A(2OH, 1Hydroxymethyl, 1Methyl)-B(none)	Flavan 4-ol	4,5,7-Trihydroxy-6-hydroxymethyl-8-methylflavan
0.000	[CCS-type derivative / [3,2']-Epoxymethanoflavan 4-ol]-A(1OH)-B(2OH)	CCS-type derivative / [3,2']-Epoxymethanoflavan 4-ol	Peltogynan-4-alpha-ol
0.000	[CCS-type derivative / [3,2']-Epoxymethanoflavan 4-ol]-A(1OH)-B(2OH)	CCS-type derivative / [3,2']-Epoxymethanoflavan 4-ol	Mopanan-4-alpha-ol
0.000	[Flavan]-A(2OH)-B(2OMe)	Flavan	Diffutidin
0.000	[Flavan]-A(2OMe)-B(2OH)	Flavan	3',4'-Dihydroxy-5,7-dimethoxyflavan
0.000	[Pterocarpan-6a-ol]-A(1OH)-B(1OH, 1OMe)	Pterocarpan-6a-ol	6a,7-Dihydroxymedicarpin
0.000	[[3,2']-Methano-4-phenylchroman (3-OH)]-A(2OH)-B(2OH)	[3,2']-Methano-4-phenylchroman	Haematoxylin