ピーク情報

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pos

Peak #4514 MN MID: SE205_S02_M90

m/z: 513.22309, RT: 43.92, 強度: 256922, ログ強度: 1.89, 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: (3 names) Lobatamide A;Raucaffricine;Vomilenine beta-D-glucoside

DBごとのヒット数: ALL 2 KG 1 KN 1

FlavonoidSearch最大スコア MS2: -, MS3: 0.118

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
C27H32O8N2	512.21587	-0.095	Lobatamide A	KNApSAcK: C00028483, C00028484
C27H32O8N2	512.21587	-0.095	Raucaffricine	KNApSAcK: C00024300, C00024346

MSnスペクトル情報

Level: 2, プリカーサーm/z: 513.22186

Splash: splash10-00ri-0960500000-a1300aa4925fc73ba677

m/z	Int.	NL	Rel.Int.
287.23	33609	226	1000
469.29	30433	44	905
170.04	30003	343	892
188.07	15890	325	472
269.23	5509	244	163
187.31	4834	326	143
171.12	4254	342	126
144.04	4188	369	124
425.28	3551	88	105
470.37	1993	43	59
224.13	1782	289	53

Level: 3, プリカーサーm/z: 287.23450

Splash: splash10-0079-0900000000-03ad3581863a8a49e746

m/z	Int.	NL	Rel.Int.
188.08	10306	99	1000
170.00	6213	117	602
144.02	3107	143	301
171.09	1731	116	167
269.24	1696	18	164
157.94	870	129	84
270.31	756	17	73
157.08	567	130	54

FlavonoidSearch結果

Score	Symbolized Name	MSMS-Category	MSMS-Aglycone
0.118	[Anthocyanidin]-A(2OH)-B(2OH)	Anthocyanidin	Cyanidin
0.118	[Anthocyanidin]-A(3OH)-B(1OH)	Anthocyanidin	Aurantinidin
0.091	[Dihydroflavonol]-A(1OH)-B(1OMe)	Dihydroflavonol	Garbanzol 4'-methyl ether
0.091	[Dihydroflavonol]-A(1OH, 1OMe)-B(none)	Dihydroflavonol	3,7-Dihydroxy-6-methoxyflavanone
0.077	[Dihydroflavonol (3-OMe)]-A(2OH)-B(none)	Dihydroflavonol	Pinobanksin 3-methyl ether
0.071	[Dihydroflavonol]-A(1OH, 1OMe)-B(none)	Dihydroflavonol	Pinobanksin 5-methyl ether
0.071	[Dihydroflavonol]-A(1OH, 1OMe)-B(none)	Dihydroflavonol	Alpinone
0.063	[Isoflavanone]-A(2OH)-B(1OMe)	Isoflavanone	Dihydrobiochanin A
0.063	[Isoflavanone]-A(1OH)-B(1OH, 1OMe)	Isoflavanone	3'-Hydroxydihydroformononetin
0.063	[Isoflavanone]-A(1OH)-B(1OH, 1OMe)	Isoflavanone	Vestitone
0.063	[2'-Hydroxychalcone]-A(2OH, 1OMe)-B(1OH)	2'-Hydroxychalcone	Kukulkanin B
0.063	[2'-Hydroxychalcone]-A(2OH, 1OMe)-B(1OH)	2'-Hydroxychalcone	2,2',6'-Trihydroxy-4'-methoxychalcone
0.063	[2'-Hydroxychalcone]-A(2OH, 1OMe)-B(1OH)	2'-Hydroxychalcone	2,2',4'-Trihydroxy-6'-methoxychalcone
0.063	[2'-Hydroxychalcone]-A(2OH, 1OMe)-B(1OH)	2'-Hydroxychalcone	Neosakuranetin
0.063	[2'-Hydroxychalcone]-A(2OH, 1OMe)-B(1OH)	2'-Hydroxychalcone	Helichrysetin
0.063	[2'-Hydroxychalcone]-A(1OH, 1OMe)-B(2OH)	2'-Hydroxychalcone	Calythropsin
0.063	[2'-Hydroxychalcone]-A(3OH)-B(1OMe)	2'-Hydroxychalcone	2',4',6'-Trihydroxy-4-methoxychalcone
0.063	[2'-Hydroxychalcone]-A(3OH, 1OMe)-B(none)	2'-Hydroxychalcone	2',3',4'-dihydroxy-6'-methoxychalcone
0.063	[2'-Hydroxychalcone]-A(2OH)-B(1OH, 1OMe)	2'-Hydroxychalcone	Homobutein
0.063	[2'-Hydroxychalcone]-A(2OH)-B(1OH, 1OMe)	2'-Hydroxychalcone	3,2',4'-Trihydroxy-4-methoxychalcone
0.056	[Flavone]-A(1OH)-B(3OH)	Flavone	7,3',4',5'-Tetrahydroxyflavone
0.056	[Flavone]-A(2OH)-B(2OH)	Flavone	5,7,2',5'-Tetrahydroxyflavone
0.056	[Flavone]-A(2OH)-B(2OH)	Flavone	5,7,2',6'-Tetrahydroxyflavone
0.056	[Flavone]-A(2OH)-B(2OH)	Flavone	5,7,2',3'-Tetrahydroxyflavone
0.056	[Flavone]-A(2OH)-B(2OH)	Flavone	Luteolin
0.056	[Flavone]-A(2OH)-B(2OH)	Flavone	Norartocarpetin
0.056	[Flavone]-A(3OH)-B(1OH)	Flavone	5,6,7,2'-Tetrahydroxyflavone
0.056	[Flavone]-A(3OH)-B(1OH)	Flavone	Scutellarein
0.056	[Flavone]-A(3OH)-B(1OH)	Flavone	5,7,8,2'-Tetrahydroxyflavone
0.056	[Flavone]-A(3OH)-B(1OH)	Flavone	Isoscutellarein
0.056	[Chalcone]-A(1OH)-B(2OH, 1OMe)	Chalcone	Licochalcone B
0.056	[Chalcone]-A(1OH, 1OMe)-B(2OH)	Chalcone	Sappanchalcone
0.056	[Flavanone]-A(2OH)-B(1OMe)	Flavanone	5,6-Dihydroxy-4'-methoxyflavanone
0.056	[Flavanone]-A(2OH)-B(1OMe)	Flavanone	Isosakuranetin
0.056	[Flavanone]-A(2OH, 1OMe)-B(none)	Flavanone	5-Methoxydihydrobaicalein
0.056	[Flavanone]-A(2OH, 1OMe)-B(none)	Flavanone	Dihydrooroxylin A
0.056	[Flavanone]-A(2OH, 1OMe)-B(none)	Flavanone	5,8-Dihydroxy-7-methoxyflavanone
0.056	[Flavanone]-A(2OH, 1OMe)-B(none)	Flavanone	Dihydrowogonin
0.056	[Flavanone]-A(1OH, 1OMe)-B(1OH)	Flavanone	Dihydroechioidinin
0.056	[Flavanone]-A(1OH, 1OMe)-B(1OH)	Flavanone	Naringenin 5-methyl ether
0.056	[Flavanone]-A(1OH, 1OMe)-B(1OH)	Flavanone	Sakuranetin
0.053	[Isoflavone]-A(2OH)-B(2OH)	Isoflavone	7,8,2',4'-Tetrahydroxyisoflavone
0.053	[Isoflavone]-A(2OH)-B(2OH)	Isoflavone	Orobol
0.053	[Isoflavone]-A(2OH)-B(2OH)	Isoflavone	2'-Hydroxygenistein
0.053	[Isoflavone]-A(1OH)-B(3OH)	Isoflavone	Baptigenin
0.053	[Isoflavone]-A(3OH)-B(1OH)	Isoflavone	6-Hydroxygenistein
0.042	[Flavonol]-A(2OH)-B(1OH)	Flavonol	Datiscetin
0.042	[Flavonol]-A(3OH)-B(none)	Flavonol	6-Hydroxygalangin
0.042	[Flavonol]-A(3OH)-B(none)	Flavonol	8-Hydroxygalangin
0.040	[Flavonol]-A(2OH)-B(1OH)	Flavonol	3,7,8,4'-Tetrahydroxyflavone
0.040	[Flavonol]-A(2OH)-B(1OH)	Flavonol	Kaempferol
0.040	[Flavonol]-A(1OH)-B(2OH)	Flavonol	Fisetin
0.000	[Isoflavan]-A(1OH)-B(2OMe)	Isoflavan	Sativan
0.000	[Isoflavan]-A(1OMe)-B(1OH, 1OMe)	Isoflavan	Isosativan
0.000	[Isoflavan]-A(1OMe)-B(1OH, 1OMe)	Isoflavan	Arvensan
0.000	[Dihydrochalcone]-A(1OH, 2OMe)-B(none)	Dihydrochalcone	Dihydroflavokawin B
0.000	[Dihydrochalcone]-A(2OMe)-B(1OH)	Dihydrochalcone	4-Hydroxy-2',4'-dimethoxydihydrochalcone
0.000	[Dihydrochalcone]-A(1OH)-B(2OMe)	Dihydrochalcone	4'-Hydroxy-2,6-dimethoxydihydrochalcone
0.000	[Dihydrochalcone]-A(1OH)-B(2OMe)	Dihydrochalcone	Loureirin A
0.000	[Pterocarpan]-A(1OH, 1OMe)-B(1OH)	Pterocarpan	Melilotocarpan B
0.000	[Pterocarpan]-A(1OH, 1OMe)-B(1OH)	Pterocarpan	Desmocarpin
0.000	[Pterocarpan]-A(1OH)-B(1OH, 1OMe)	Pterocarpan	Nissolin
0.000	[Pterocarpan]-A(1OH)-B(1OH, 1OMe)	Pterocarpan	Vesticarpan
0.000	[Pterocarpan]-A(1OH)-B(1OH, 1OMe)	Pterocarpan	Kushenin
0.000	[Pterocarpan]-A(1OH)-B(1OH, 1OMe)	Pterocarpan	3,8-Dihydroxy-9-methoxypterocarpan
0.000	[Pterocarpan]-A(1OH)-B(1OH, 1OMe)	Pterocarpan	Nissicarpin
0.000	[Pterocarpan]-A(2OH)-B(1OMe)	Pterocarpan	4-Hydroxymedicarpin
0.000	[Aurone]-A(2OH)-B(2OH)	Aurone	Maritimetin
0.000	[Aurone]-A(2OH)-B(2OH)	Aurone	Aureusidin
0.000	[Aurone]-A(3OH)-B(1OH)	Aurone	Helmon
0.000	[beta-Hydroxy(or Oxodihydro)chalcone]-A(1OH, 1OMe)-B(1OH)	beta-Hydroxy(or Oxodihydro)chalcone	Licodione 2'-methyl ether
0.000	[beta-Hydroxy(or Oxodihydro)chalcone]-A(2OH, 1OMe)-B(none)	beta-Hydroxy(or Oxodihydro)chalcone	2',6',beta-Trihydroxy-4'-methoxychalcone
0.000	[beta-Hydroxy(or Oxodihydro)chalcone]-A(2OH, 1OMe)-B(none)	beta-Hydroxy(or Oxodihydro)chalcone	2',4',beta-Trihydroxy-6'-methoxychalcone
0.000	[UBR-type derivative / [2',5']-Benzoquinonyl-type chalcone]-A(2OH)-B(1OH)	UBR-type derivative / [2',5']-Benzoquinonyl-type chalcone	4,4',6'-Trihydroxy-[2',5']-benzoquinonechalcone
0.000	[UBR-type derivative / 2',5'-Dioxo-3'-cyclopentenyl-type Calcone]-A(2OMe)-B(none)	UBR-type derivative / 2',5'-Dioxo-3'-cyclopentenyl-type Calcone	Linderone
0.000	[Dihydrochalcone]-A(2OH)-B(1([@@]-Methylenedioxy))	Dihydrochalcone	2',4'-Dihydroxy-3,4-methylenedioxydihydrochalcone
0.000	[Dihydrochalcone]-A(2OH, 1OMe, 1Methyl)-B(none)	Dihydrochalcone	Myrigalone H
0.000	[Dihydrochalcone]-A(2OH, 1OMe, 1Methyl)-B(none)	Dihydrochalcone	2',6'-Dihydroxy-4'-methoxy-3'-methyldihydrochalcone
0.000	[Dihydrochalcone]-A(3OH, 1Formyl)-B(none)	Dihydrochalcone	3'-Formyl-2',4',6'-trihydroxydihydrochalcone
0.000	[Flavanone]-A(2OH, 1Methyl)-B(1OH)	Flavanone	Poriol
0.000	[3-substituted Flavanone (3-Methyl)]-A(2OH)-B(1OH)	3-substituted Flavanone	3-Methylnaringenin
0.000	[Dihydroflavonol]-A(2OH, 1Methyl)-B(none)	Dihydroflavonol	6-Methypinobanksin
0.000	[Flavan 3-ol]-A(1OMe, 1Methyl)-B(1OH)	Flavan 3-ol	Tupichinol A
0.000	[CCS-type derivative / [3,2']-Epoxymethanoflavan]-A(1OH)-B(2OH)	CCS-type derivative / [3,2']-Epoxymethanoflavan	Peltogynan
0.000	[Flavan]-A(1OMe)-B(1OH, 1OMe)	Flavan	4'-Hydroxy-7,3'-dimethoxyflavan
0.000	[Flavan]-A(1OH, 1Methyl)-B(1OH, 1OMe)	Flavan	7,3'-Dihydroxy-4'-methoxy-8-methylflavan
0.000	[Flavan]-A(1OH, 1Methyl)-B(1OH, 1OMe)	Flavan	7,4'-Dihydroxy-3'-methoxy-8-methylflavan
0.000	[Flavan]-A(1OH, 1OMe)-B(1OMe)	Flavan	7-Hydroxy-5,4'-dimethoxyflavan
0.000	[Flavan]-A(1OH, 1OMe)-B(1OMe)	Flavan	5-Hydroxy-7,4'-dimethoxyflavan
0.000	[Flavan]-A(2OMe)-B(1OH)	Flavan	4'-Hydroxy-5,7-dimethoxyflavan
0.000	[Flavan]-A(1OH, 1OMe, 1Methyl)-B(1OH)	Flavan	5,4'-Dihydroxy-7'-methoxy-8-methylflavan
0.000	[3-DehydroxyAnthocyanidin]-A(2OH)-B(3OH)	3-DehydroxyAnthocyanidin	Tricetinidin
0.000	[UBR-type derivative / [2',5']-Benzoquinonyl-type Isoflavan]-A(1OH)-B(1OMe)	UBR-type derivative / [2',5']-Benzoquinonyl-type Isoflavan	Claussequinone
0.000	[isoflavene]-A(1OH)-B(2OH, 1OMe)	isoflavene	Sepiol
0.000	[isoflavene]-A(1OH)-B(2OH, 1OMe)	isoflavene	Haginin C
0.000	[Pterocarpan-6a-ol]-A(1OH)-B(1OMe)	Pterocarpan-6a-ol	6a-Hydroxymedicarpin
0.000	[Pterocarpan-6a-ol]-A(1OMe)-B(1OH)	Pterocarpan-6a-ol	6a-Hydroxyisomedicarpin
0.000	[2-Phenylbenzofuran]-A(1OH, 1OMe)-B(1OH, 1OMe)	2-Phenylbenzofuran	Sainfuran
0.000	[2-Phenylbenzofuran]-A(2OMe)-B(2OH)	2-Phenylbenzofuran	2',4'-Dihydroxy-5,6-dimethoxy-2-phenylbenzofuran
0.000	[2-Phenylbenzofuran]-A(1OH)-B(1OH, 2OMe)	2-Phenylbenzofuran	Pterofuran
0.000	[2-Phenylbenzofuran]-A(1OH)-B(1OH, 2OMe)	2-Phenylbenzofuran	Isopterofuran
0.000	[alpha-Methyldeoxybenzoin]-A(1OH, 1OMe)-B(1OMe)	alpha-Methyldeoxybenzoin	2-O-Methylangolensin
0.000	[alpha-Methyldeoxybenzoin]-A(1OH, 1OMe)-B(1OMe)	alpha-Methyldeoxybenzoin	4-O-Methylangolensin
0.000	[4-phenylcoumarin]-A(2OH)-B(2OH)	4-phenylcoumarin	5,7,3',4'-Tetrahydroxy-4-phenylcoumarin
0.000	[[3,2']-Methano-4-phenylchroman (3-OH)]-A(1OH)-B(2OH)	[3,2']-Methano-4-phenylchroman	Brazilin
0.000	[Dalbergiquinol]-A(1OH, 2OMe)-B(1OH)	Dalbergiquinol	Latifolin
0.000	[Dalbergiquinol]-A(1OH, 2OMe)-B(1OH)	Dalbergiquinol	5,3'-Dihydroxy-2,4-dimethoxydalbergiquinol
0.000	[Dalbergiquinol]-A(2OH, 2OMe)-B(none)	Dalbergiquinol	2,5-Dihydroxy-3,4-dimethoxydalbergiquinol

Level: 3, プリカーサーm/z: 469.29169

Splash: splash10-00dr-0920000000-55a6afc75dc715b3ff3f

m/z	Int.	NL	Rel.Int.
170.07	6025	299	1000
188.16	3468	281	575
287.15	2552	182	423
143.96	2121	325	352
269.22	1092	200	181
171.08	895	298	148
187.06	714	282	118
425.36	444	44	73
168.08	405	301	67
408.09	330	61	54
286.06	320	183	53

Symbolized Name	MSMS-Category	MSMS-Aglycone
[Flavanone]-A(2OH, 1(2-Hydroxybenzyl), 1(2-Hydroxybenzyl))-B(none)	Flavanone	Dichamanetin
[Flavanone]-A(1OH, 1OMe, 1Lavandulyl)-B(2OH, 1OMe)	Flavanone	Exiguaflavanone E
[CCS-type derivative / [2',3]-(Epoxy-1-hydroperoxyisopropanylethano)flavone]-A(1OH, 1OMe)-B(1OH)	CCS-type derivative / [2',3]-(Epoxy-1-hydroperoxyisopropanylethano)flavone	Artoindonesianin B
[Flavan 3-ol]-A(2OH)-B(3OH)-C(1(O-Caffeoyl))	Flavan 3-ol	Gallocatechin 3-O-caffeate
[Flavan 3-ol]-A(1OH, 1([2,3:@@]-(4-(3,4-Dihydroxyphenyl)-6-oxodihydropyrano)))-B(3OH)	Flavan 3-ol	Apocynin A
[Isoflavone]-A(1OH, 1(3-Hydroxy-3-methylbutyl), 11([2,3:@@]-(6,6-Dimethyldihydropyrano)))-B(2OMe)	Isoflavone	1'',2''-Dihydro-8-hydroxyisopentanyl-3'-methoxy-4'-O-methylalpinumisoflavone
[Isoflavone]-A(1OH, 1(3-Hydroxy-3-methylbutyl), 11([2,3:@@]-(6,6-Dimethyldihydropyrano)))-B(2OMe)	Isoflavone	1'',2''-Dihydro-8-hydroxyisopentanyl-2'-methoxy-4'-O-methylalpinumisoflavone