ピーク情報

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Peak #2072 MN MID: SE199_S41_M90

m/z: 321.11799, RT: 35.52, 強度: 9538, ログ強度: 0.50, アダクト: [M+H]+, 共有数（同様のピークを含むサンプル数）: 4

DB検索結果: (2 names) Persicasulfide A;(-)-Persicasulfide A

DBごとのヒット数: ALL 1 KN 1

FlavonoidSearch最大スコア MS2: 0.091, MS3: 0.190

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
C14H24O4S2	320.11160	-2.777	Persicasulfide A	KNApSAcK: C00034625

MSnスペクトル情報

Level: 2, プリカーサーm/z: 321.11752

Splash: splash10-0f72-0933000000-9924e4a7dc1fd7619189

m/z	Int.	NL	Rel.Int.
145.00	12778	176	1000
303.07	9510	18	744
187.10	5951	134	465
215.09	4382	106	342
285.15	3945	36	308
196.95	1462	124	114
229.01	1335	92	104
140.96	1124	180	87
158.98	949	162	74
169.02	711	152	55
96.94	653	224	51

Score	Symbolized Name	MSMS-Category	MSMS-Aglycone
0.091	[Isoflavone]-A(1([2,3:@@]-(6,6-Dimethylpyrano)))-B(1OH)	Isoflavone	Erythrinin A
0.067	[Flavan 3-ol]-A(2OH, 1OMe)-B(2OH)	Flavan 3-ol	3,5,7,3',4'-Pentahydroxy-6-methoxyflavan
0.067	[Flavan 3-ol]-A(2OH)-B(2OH, 1OMe)	Flavan 3-ol	Gallocatechin 4'-methyl ether
0.059	[Dihydroflavonol]-A(2OH)-B(3OH)	Dihydroflavonol	3,5,7,3',4',5'-Hexahydroxyflavanone
0.045	[Flavone]-A(1OH, 1([2,3:@@]-(6,6-Dimethylpyrano)))-B(none)	Flavone	5-Hydroxy-6'',6''-dimethylpyrano[2'',3'':7,8]flavone
0.043	[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: 145.00433

Splash: splash10-00dr-9000000000-79806f6750c4199bfcbb

m/z	Int.	NL	Rel.Int.
70.81	1364	74	1000
88.98	822	56	602
56.85	111	88	81

Level: 3, プリカーサーm/z: 303.06876

Splash: splash10-000l-0790000000-a1d17edf78397d9773d2

m/z	Int.	NL	Rel.Int.
285.13	707	18	1000
144.98	597	158	843
215.05	425	88	600
158.96	245	144	346
257.08	234	46	330
228.83	184	74	259
196.81	182	106	256
88.96	171	214	241
187.00	124	116	174
173.07	76	130	106
267.09	59	36	83
126.89	57	176	80
140.92	52	162	72
113.10	48	190	67

FlavonoidSearch結果

Score	Symbolized Name	MSMS-Category	MSMS-Aglycone
0.250	[Anthocyanidin]-A(2OH)-B(3OH)	Anthocyanidin	Delphinidin
0.250	[Anthocyanidin]-A(3OH)-B(2OH)	Anthocyanidin	6-Hydroxycyanidin
0.136	[Flavone]-A(3OH)-B(2OH)	Flavone	6-Hydroxyluteolin
0.136	[Flavone]-A(3OH)-B(2OH)	Flavone	Hypolaetin
0.136	[Flavone]-A(2OH)-B(3OH)	Flavone	Tricetin
0.136	[Flavone]-A(2OH)-B(3OH)	Flavone	Isoetin
0.130	[Isoflavone]-A(3OH)-B(2OH)	Isoflavone	5,7,8,2',4'-Pentahydroxyisoflavone
0.125	[Dihydroflavonol]-A(2OH, 1OMe)-B(none)	Dihydroflavonol	3,5,8-Trihydroxy-7-methoxyflavanone
0.125	[Dihydroflavonol]-A(1OH, 1OMe)-B(1OH)	Dihydroflavonol	Aromadendrin 5-methyl ether
0.125	[Dihydroflavonol]-A(1OH, 1OMe)-B(1OH)	Dihydroflavonol	Aromadendrin 7-methyl ether
0.107	[Flavonol]-A(2OH)-B(2OH)	Flavonol	3,5,7,2',5'-Pentahydroxyflavone
0.107	[Flavonol]-A(2OH)-B(2OH)	Flavonol	Viscidulin I
0.105	[Dihydroflavonol]-A(2OH, 1OMe)-B(none)	Dihydroflavonol	Alnustinol
0.105	[Dihydroflavonol]-A(2OH)-B(1OMe)	Dihydroflavonol	Aromadendrin 4'-methyl ether
0.103	[Flavonol]-A(3OH)-B(1OH)	Flavonol	6-Hydroxykaempferol
0.103	[Flavonol]-A(3OH)-B(1OH)	Flavonol	Herbacetin
0.103	[Flavonol]-A(2OH)-B(2OH)	Flavonol	Rhynchosin
0.103	[Flavonol]-A(2OH)-B(2OH)	Flavonol	Melanoxetin
0.103	[Flavonol]-A(2OH)-B(2OH)	Flavonol	Quercetin
0.103	[Flavonol]-A(2OH)-B(2OH)	Flavonol	Morin
0.103	[Flavonol]-A(1OH)-B(3OH)	Flavonol	Robinetin
0.103	[Flavonol]-A(1OH)-B(3OH)	Flavonol	3,7,2',3',4'-Pentahydroxyflavone
0.095	[Isoflavanone]-A(1OH)-B(2OH, 1OMe)	Isoflavanone	7,2',3'-Trihydroxy-4'-methoxyisoflavanone
0.095	[Isoflavanone]-A(2OH)-B(1OH, 1OMe)	Isoflavanone	Ferreirin
0.095	[Isoflavanone]-A(2OH)-B(1OH, 1OMe)	Isoflavanone	Isoferreirin
0.087	[Chalcone]-A(2OH)-B(2OH, 1OMe)	Chalcone	3,4,3',4'-Tetrahydroxy-2-methoxychalcone
0.063	[Dihydroflavonol (3-OMe)]-A(1OH)-B(2OH)	Dihydroflavonol	3-O-Methyl-2,3-trans-fustin
0.056	[Flavan 3-ol]-A(1OH, 1OMe)-B(1OMe)	Flavan 3-ol	Afzelechin 5,4'-dimethyl ether
0.053	[Dihydroflavonol (3-OMe)]-A(2OH)-B(1OH)	Dihydroflavonol	Aromadendrin 3-methyl ether
0.045	[2'-Hydroxychalcone]-A(2OH, 1OMe)-B(2OH)	2'-Hydroxychalcone	Lanceoletin
0.045	[2'-Hydroxychalcone]-A(3OH)-B(1OH, 1OMe)	2'-Hydroxychalcone	Okanin 4-methyl ether
0.045	[2'-Hydroxychalcone]-A(3OH)-B(1OH, 1OMe)	2'-Hydroxychalcone	4,2',4',6'-Tetrahydroxy-3-methoxychalcone
0.042	[Flavanone]-A(3OH, 1OMe)-B(none)	Flavanone	Oresbiusin
0.042	[Flavanone]-A(2OH, 1OMe)-B(1OH)	Flavanone	5,7,4'-Trihydroxy-6-methoxyflavanone
0.042	[Flavanone]-A(2OH, 1OMe)-B(1OH)	Flavanone	5,8,2'-Trihydroxy-7-methoxyflavanone
0.042	[Flavanone]-A(2OH, 1OMe)-B(1OH)	Flavanone	5,7,4'-Trihydroxy-8-methoxyflavanone
0.042	[Flavanone]-A(2OH)-B(1OH, 1OMe)	Flavanone	Alysifolinone
0.042	[Flavanone]-A(2OH)-B(1OH, 1OMe)	Flavanone	Homoeriodictyol
0.042	[Flavanone]-A(2OH)-B(1OH, 1OMe)	Flavanone	Hesperetin
0.042	[Flavanone]-A(1OH, 1OMe)-B(2OH)	Flavanone	8-Methoxybutin
0.042	[Flavanone]-A(1OH, 1OMe)-B(2OH)	Flavanone	7,2',6'-Trihydroxy-5-methoxyflavanone
0.042	[Flavanone]-A(1OH, 1OMe)-B(2OH)	Flavanone	Scutamoenin
0.042	[Flavanone]-A(1OH, 1OMe)-B(2OH)	Flavanone	5,2',3'-Trihydroxy-7-methoxyflavanone
0.042	[Flavanone]-A(1OH, 1OMe)-B(2OH)	Flavanone	Eriodictyol 5-methyl ether
0.042	[Flavanone]-A(1OH, 1OMe)-B(2OH)	Flavanone	Sternbin
0.042	[Flavanone]-A(1OH, 1OMe)-B(2OH)	Flavanone	Artocarpanone
0.042	[Flavanone]-A(3OH)-B(1OMe)	Flavanone	4'-O-Methylcarthamidin
0.042	[Flavanone]-A(3OH)-B(1OMe)	Flavanone	5,7,8-Trihydroxy-4'-methoxyflavanone
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