ピーク情報

（かんきつ類）レモン全果生

pos

Peak #1397 MN MID: SE123_S071551_M90

m/z: 305.15930, RT: 30.51, 強度: 3793, ログ強度: 0.05, 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) Urechitol B;Creoside I;(-)-Creoside I

DBごとのヒット数: ALL 2 KN 2

FlavonoidSearch最大スコア MS2: 0.143, MS3: 0.200

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
C14H24O7	304.15220	-0.605	Urechitol B	KNApSAcK: C00047605
C14H24O7	304.15220	-0.605	Creoside I	KNApSAcK: C00030022

MSnスペクトル情報

Level: 2, プリカーサーm/z: 305.15878

Splash: splash10-0006-0920000000-dce9da0b7ff385dd6fe8

m/z	Int.	NL	Rel.Int.
143.05	4223	162	1000
287.07	1222	18	289
124.98	769	180	182
107.01	415	198	98

FlavonoidSearch結果

Score	Symbolized Name	MSMS-Category	MSMS-Aglycone
0.143	[Dihydroflavonol]-A(3OH)-B(1OH)	Dihydroflavonol	3,5,7,8,4'-Pentahydroxyflavanone
0.143	[Dihydroflavonol]-A(2OH)-B(2OH)	Dihydroflavonol	8-Hydroxyfustin
0.143	[Dihydroflavonol]-A(2OH)-B(2OH)	Dihydroflavonol	3,5,7,2',5'-Pentahydroxyflavanone
0.143	[Dihydroflavonol]-A(2OH)-B(2OH)	Dihydroflavonol	3,5,7,2',6'-Pentahydroxyflavanone
0.143	[Dihydroflavonol]-A(1OH)-B(3OH)	Dihydroflavonol	Dihydrorobinetin
0.125	[Flavan 3-ol]-A(1OH, 1OMe)-B(2OH)	Flavan 3-ol	Catechin-7-methyl ether
0.125	[Flavan 3-ol]-A(2OH)-B(1OH, 1OMe)	Flavan 3-ol	Symplocosidin
0.125	[Flavan 3-ol]-A(2OH)-B(1OH, 1OMe)	Flavan 3-ol	Catechin 4'-methyl ether
0.125	[Flavan 3-ol]-A(2OH)-B(1OH, 1OMe)	Flavan 3-ol	Catechin-3'-methyl ether
0.100	[Dihydroflavonol]-A(2OH)-B(2OH)	Dihydroflavonol	Taxifolin
0.100	[Dihydroflavonol]-A(2OH)-B(2OH)	Dihydroflavonol	Dihydromorin
0.091	[Dihydroflavonol]-A(2OH)-B(2OH)	Dihydroflavonol	3,5,7,3',5'-Pentahydroxyflavanone
0.083	[2'-Hydroxychalcone]-A(3OH)-B(3OH)	2'-Hydroxychalcone	3,4,5,2',4',6'-Hexahydroxychalcone
0.077	[Flavanone]-A(2OH)-B(3OH)	Flavanone	5,7,3',4',5'-Pentahydroxyflavanone
0.071	[Flavone]-A(1([2,3:@@]-(6,6-Dimethylpyrano)))-B(none)	Flavone	6'',6''-Dimethylpyrano[2'',3'':7,8]flavone
0.000	[Isoflavan]-A(2OH)-B(2OH, 1OMe)	Isoflavan	3',8-Dihydroxyvestitol
0.000	[Auronol]-A(2OH)-B(2OH)	Auronol	Nigrescin
0.000	[Auronol]-A(2OH)-B(2OH)	Auronol	Alphitonin
0.000	[beta-Hydroxy(or Oxodihydro)chalcone]-A(3OH)-B(2OH)	beta-Hydroxy(or Oxodihydro)chalcone	3,4,2',4',6',beta-Hexahydroxychalcone
0.000	[Dihydrochalcone alpha-ol]-A(1OH, 1OMe)-B(2OH)	Dihydrochalcone alpha-ol	3,4,4',alpha-Tetrahydroxy-2'-methoxydihydrochalcone
0.000	[Dihydrochalcone beta-ol]-A(2OH, 1OMe)-B(1OH)	Dihydrochalcone beta-ol	4,2',4',beta-Tetrahydroxy-6'-methoxydihydrochalcone
0.000	[2-Hydroxyflavanone]-A(2OH)-B(2OH)	2-Hydroxyflavanone	2,5,7,3',4'-Pentahydroxyflavanone
0.000	[Flavone]-A(2OH, 1Cl)-B(1OH)	Flavone	6-Chloroapigenin
0.000	[Flavan 3,4-diol]-A(1OH, 1OMe)-B(1OH)	Flavan 3,4-diol	Ortin-4alpha-ol 8-methyl ether

Level: 3, プリカーサーm/z: 143.04868

Splash: splash10-004i-2900000000-12e55a0e8e29d0ee728c

m/z	Int.	NL	Rel.Int.
125.02	1105	18	1000
106.99	425	36	384
96.98	359	46	324

Level: 3, プリカーサーm/z: 287.07382

Splash: splash10-066r-0290000000-ce265e71e0b6a505c69d

m/z	Int.	NL	Rel.Int.
269.17	223	18	1000
205.04	92	82	411
209.17	68	78	304
187.04	67	100	299
251.19	52	36	234
238.98	31	48	139
259.13	31	28	138
221.26	25	66	112
245.03	23	42	103
167.00	17	120	78
125.15	17	162	75
270.16	16	17	73
180.83	16	106	72
241.03	15	46	65
257.24	13	30	57
142.95	12	144	55
223.22	12	64	52
238.18	11	49	51
191.02	11	96	50

FlavonoidSearch結果

Score	Symbolized Name	MSMS-Category	MSMS-Aglycone
0.200	[Flavonol]-A(3OH)-B(none)	Flavonol	6-Hydroxygalangin
0.200	[Flavonol]-A(3OH)-B(none)	Flavonol	8-Hydroxygalangin
0.161	[Flavonol]-A(2OH)-B(1OH)	Flavonol	Datiscetin
0.156	[Flavonol]-A(2OH)-B(1OH)	Flavonol	3,7,8,4'-Tetrahydroxyflavone
0.156	[Flavonol]-A(2OH)-B(1OH)	Flavonol	Kaempferol
0.156	[Flavonol]-A(1OH)-B(2OH)	Flavonol	Fisetin
0.120	[2'-Hydroxychalcone]-A(2OH, 1OMe)-B(1OH)	2'-Hydroxychalcone	Kukulkanin B
0.120	[2'-Hydroxychalcone]-A(2OH, 1OMe)-B(1OH)	2'-Hydroxychalcone	2,2',6'-Trihydroxy-4'-methoxychalcone
0.120	[2'-Hydroxychalcone]-A(2OH, 1OMe)-B(1OH)	2'-Hydroxychalcone	2,2',4'-Trihydroxy-6'-methoxychalcone
0.120	[2'-Hydroxychalcone]-A(2OH, 1OMe)-B(1OH)	2'-Hydroxychalcone	Neosakuranetin
0.120	[2'-Hydroxychalcone]-A(2OH, 1OMe)-B(1OH)	2'-Hydroxychalcone	Helichrysetin
0.120	[2'-Hydroxychalcone]-A(3OH, 1OMe)-B(none)	2'-Hydroxychalcone	2',3',4'-dihydroxy-6'-methoxychalcone
0.111	[Flavone]-A(1OH)-B(3OH)	Flavone	7,3',4',5'-Tetrahydroxyflavone
0.111	[Flavone]-A(2OH)-B(2OH)	Flavone	5,7,2',5'-Tetrahydroxyflavone
0.111	[Flavone]-A(2OH)-B(2OH)	Flavone	5,7,2',6'-Tetrahydroxyflavone
0.111	[Flavone]-A(2OH)-B(2OH)	Flavone	5,7,2',3'-Tetrahydroxyflavone
0.111	[Flavone]-A(2OH)-B(2OH)	Flavone	Luteolin
0.111	[Flavone]-A(2OH)-B(2OH)	Flavone	Norartocarpetin
0.111	[Flavone]-A(3OH)-B(1OH)	Flavone	5,6,7,2'-Tetrahydroxyflavone
0.111	[Flavone]-A(3OH)-B(1OH)	Flavone	Scutellarein
0.111	[Flavone]-A(3OH)-B(1OH)	Flavone	5,7,8,2'-Tetrahydroxyflavone
0.111	[Flavone]-A(3OH)-B(1OH)	Flavone	Isoscutellarein
0.111	[Flavanone]-A(1OH, 1OMe)-B(1OH)	Flavanone	Dihydroechioidinin
0.111	[Flavanone]-A(1OH, 1OMe)-B(1OH)	Flavanone	Naringenin 5-methyl ether
0.111	[Flavanone]-A(1OH, 1OMe)-B(1OH)	Flavanone	Sakuranetin
0.111	[Flavanone]-A(2OH, 1OMe)-B(none)	Flavanone	5-Methoxydihydrobaicalein
0.111	[Flavanone]-A(2OH, 1OMe)-B(none)	Flavanone	Dihydrooroxylin A
0.111	[Flavanone]-A(2OH, 1OMe)-B(none)	Flavanone	5,8-Dihydroxy-7-methoxyflavanone
0.111	[Flavanone]-A(2OH, 1OMe)-B(none)	Flavanone	Dihydrowogonin
0.111	[Chalcone]-A(1OH)-B(2OH, 1OMe)	Chalcone	Licochalcone B
0.111	[Chalcone]-A(1OH, 1OMe)-B(2OH)	Chalcone	Sappanchalcone
0.095	[Dihydroflavonol]-A(1OH, 1OMe)-B(none)	Dihydroflavonol	3,7-Dihydroxy-6-methoxyflavanone
0.083	[Dihydroflavonol]-A(1OH, 1OMe)-B(none)	Dihydroflavonol	Pinobanksin 5-methyl ether
0.083	[Dihydroflavonol]-A(1OH, 1OMe)-B(none)	Dihydroflavonol	Alpinone
0.077	[Isoflavanone]-A(2OH)-B(1OMe)	Isoflavanone	Dihydrobiochanin A
0.077	[Isoflavanone]-A(1OH)-B(1OH, 1OMe)	Isoflavanone	3'-Hydroxydihydroformononetin
0.077	[Isoflavanone]-A(1OH)-B(1OH, 1OMe)	Isoflavanone	Vestitone
0.077	[2'-Hydroxychalcone]-A(1OH, 1OMe)-B(2OH)	2'-Hydroxychalcone	Calythropsin
0.077	[2'-Hydroxychalcone]-A(3OH)-B(1OMe)	2'-Hydroxychalcone	2',4',6'-Trihydroxy-4-methoxychalcone
0.077	[2'-Hydroxychalcone]-A(2OH)-B(1OH, 1OMe)	2'-Hydroxychalcone	Homobutein
0.077	[2'-Hydroxychalcone]-A(2OH)-B(1OH, 1OMe)	2'-Hydroxychalcone	3,2',4'-Trihydroxy-4-methoxychalcone
0.071	[Anthocyanidin]-A(2OH)-B(2OH)	Anthocyanidin	Cyanidin
0.071	[Anthocyanidin]-A(3OH)-B(1OH)	Anthocyanidin	Aurantinidin
0.071	[Flavanone]-A(2OH)-B(1OMe)	Flavanone	5,6-Dihydroxy-4'-methoxyflavanone
0.071	[Flavanone]-A(2OH)-B(1OMe)	Flavanone	Isosakuranetin
0.069	[Isoflavone]-A(2OH)-B(2OH)	Isoflavone	7,8,2',4'-Tetrahydroxyisoflavone
0.069	[Isoflavone]-A(2OH)-B(2OH)	Isoflavone	Orobol
0.069	[Isoflavone]-A(2OH)-B(2OH)	Isoflavone	2'-Hydroxygenistein
0.069	[Isoflavone]-A(1OH)-B(3OH)	Isoflavone	Baptigenin
0.069	[Isoflavone]-A(3OH)-B(1OH)	Isoflavone	6-Hydroxygenistein
0.045	[Dihydroflavonol]-A(1OH)-B(1OMe)	Dihydroflavonol	Garbanzol 4'-methyl ether
0.042	[Dihydroflavonol (3-OMe)]-A(2OH)-B(none)	Dihydroflavonol	Pinobanksin 3-methyl ether
0.042	[Pterocarpan]-A(1OH, 1OMe)-B(1OH)	Pterocarpan	Melilotocarpan B
0.042	[Pterocarpan]-A(1OH, 1OMe)-B(1OH)	Pterocarpan	Desmocarpin
0.042	[Pterocarpan]-A(1OH)-B(1OH, 1OMe)	Pterocarpan	Nissolin
0.042	[Pterocarpan]-A(1OH)-B(1OH, 1OMe)	Pterocarpan	Vesticarpan
0.042	[Pterocarpan]-A(1OH)-B(1OH, 1OMe)	Pterocarpan	Kushenin
0.042	[Pterocarpan]-A(1OH)-B(1OH, 1OMe)	Pterocarpan	3,8-Dihydroxy-9-methoxypterocarpan
0.042	[Pterocarpan]-A(1OH)-B(1OH, 1OMe)	Pterocarpan	Nissicarpin
0.042	[Pterocarpan]-A(2OH)-B(1OMe)	Pterocarpan	4-Hydroxymedicarpin
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	[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