ピーク情報

ぶどう生

pos

Peak #1476 MN MID: SE122_S071161_M90

m/z: 438.12140, RT: 39.30, 強度: 40406, ログ強度: 1.19, 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: (2 names) Isavuconazole;Ravuconazole

DBごとのヒット数: ALL 2 HM 2

FlavonoidSearch最大スコア MS2: -, MS3: 0.500

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
C22H17ON5SF2	437.11219	4.426	Isavuconazole	HMDB: HMDB0253593
C22H17ON5SF2	437.11219	4.426	Ravuconazole	HMDB: HMDB0257114

MSnスペクトル情報

Level: 2, プリカーサーm/z: 438.12122

Splash: splash10-000i-0090000000-f864ec3737b8a84a0523

m/z	Int.	NL	Rel.Int.
289.00	33064	149	1000
271.05	5342	167	161

Level: 3, プリカーサーm/z: 289.00049

Splash: splash10-03di-0960000000-a842605f0012a401e180

m/z	Int.	NL	Rel.Int.
261.05	4521	28	1000
134.94	2993	154	661
271.12	2030	18	449
150.93	1926	138	426
162.91	1750	126	387
138.93	1730	150	382
259.15	648	30	143
122.98	561	166	124
178.97	468	110	103

FlavonoidSearch結果

Score	Symbolized Name	MSMS-Category	MSMS-Aglycone
0.500	[Isoflavanone]-A(2OH)-B(2OH)	Isoflavanone	Dalbergioidin
0.313	[2'-Hydroxychalcone]-A(2OH)-B(3OH)	2'-Hydroxychalcone	Robtein
0.313	[2'-Hydroxychalcone]-A(3OH)-B(2OH)	2'-Hydroxychalcone	Neoplathymenin
0.313	[2'-Hydroxychalcone]-A(3OH)-B(2OH)	2'-Hydroxychalcone	Okanin
0.294	[Flavanone]-A(2OH)-B(2OH)	Flavanone	Plathymenin
0.294	[Flavanone]-A(2OH)-B(2OH)	Flavanone	Isookanin
0.286	[2'-Hydroxychalcone]-A(3OH)-B(2OH)	2'-Hydroxychalcone	3,4,2',4',6'-Pentahydroxychalcone
0.267	[Flavanone]-A(2OH)-B(2OH)	Flavanone	5,7,2',6'-Tetrahydroxyflavanone
0.267	[Flavanone]-A(2OH)-B(2OH)	Flavanone	5,7,2',5'-Tetrahydroxyflavanone
0.267	[Flavanone]-A(2OH)-B(2OH)	Flavanone	Eriodictyol
0.267	[Flavanone]-A(2OH)-B(2OH)	Flavanone	Steppogenin
0.083	[Dihydroflavonol]-A(1OH)-B(2OH)	Dihydroflavonol	Fustin
0.083	[Dihydroflavonol]-A(2OH)-B(1OH)	Dihydroflavonol	3,5,7,2'-Tetrahydroxyflavanone
0.063	[Dihydroflavonol]-A(2OH)-B(1OH)	Dihydroflavonol	Aromadendrin
0.056	[Flavanone]-A(3OH)-B(1OH)	Flavanone	Carthamidin
0.056	[Flavanone]-A(3OH)-B(1OH)	Flavanone	Isocarthamidin
0.000	[Dihydrochalcone]-A(1OH)-B(2OH, 1OMe)	Dihydrochalcone	Loureirin D
0.000	[Dihydrochalcone]-A(2OH, 1OMe)-B(1OH)	Dihydrochalcone	Asebogenin
0.000	[Dihydrochalcone]-A(2OH, 1OMe)-B(1OH)	Dihydrochalcone	4,2',4'-Trihydroxy-6'-methoxydihydrochalcone
0.000	[Dihydrochalcone]-A(1OH, 1OMe)-B(2OH)	Dihydrochalcone	Dihydrocalythropsin
0.000	[Dihydrochalcone]-A(2OH)-B(1OH, 1OMe)	Dihydrochalcone	4,2',4'-Trihydroxy-3-methoxydihydrochalcone
0.000	[Dihydrochalcone]-A(3OH)-B(1OMe)	Dihydrochalcone	2',4',6'-Trihydroxy-4-methoxydihydrochalcone
0.000	[Auronol]-A(1OH)-B(2OH)	Auronol	2,6,3',4'-Tetrahydroxy-2-benzylcoumaranone
0.000	[Auronol]-A(2OH)-B(1OH)	Auronol	Maesopsin
0.000	[alpha-Hydroxychalcone]-A(2OH)-B(2OH)	alpha-Hydroxychalcone	3,4,2',4',alpha-Pentahydroxychalcone
0.000	[Dihydrochalcone alpha-ol]-A(1OH, 1OMe)-B(1OH)	Dihydrochalcone alpha-ol	4,4',alpha-Trihydroxy-2'-methoxydihydrochalcone
0.000	[Dihydrochalcone alpha-ol]-A(2OH)-B(1OMe)	Dihydrochalcone alpha-ol	2',4',alpha-Trihydroxy-4-methoxydihydrochalcone
0.000	[2-Hydroxyflavanone]-A(2OH)-B(1OH)	2-Hydroxyflavanone	2,5,7,4'-Tetrahydroxyflavanone
0.000	[CCS-type derivative / [4,2']-Epoxyflavan 3-ol]-A(2OH)-B(1OH)	CCS-type derivative / [4,2']-Epoxyflavan 3-ol	Cyanomaclurin
0.000	[CCS-type derivative / [4,2']-Epoxyflavan 3-ol]-A(1OH)-B(2OH)	CCS-type derivative / [4,2']-Epoxyflavan 3-ol	6,12-Mehthano-6H,12H-dibenzo[b,f][1,5]dioxocin-2,3,9,13-tetrol
0.000	[Flavan]-A(1OH)-B(2OH, 1OMe)	Flavan	7,3',5'-Trihydroxy-4'-methoxyflavan

Level: 3, プリカーサーm/z: 271.06598

Splash: splash10-004i-0090000000-79df1b837e4660d70803

m/z	Int.	NL	Rel.Int.
229.09	2216	42	1000
253.00	247	18	111
203.14	187	68	84
201.11	144	70	64
243.11	130	28	58

FlavonoidSearch結果

Score	Symbolized Name	MSMS-Category	MSMS-Aglycone
0.333	[Flavone]-A(2OH)-B(1OH)	Flavone	5,8,2'-Trihydroxyflavone
0.333	[Flavone]-A(2OH)-B(1OH)	Flavone	5,7,2'-Trihydroxyflavone
0.333	[Flavone]-A(2OH)-B(1OH)	Flavone	Apigenin
0.333	[Flavone]-A(3OH)-B(none)	Flavone	Baicalein
0.333	[Flavone]-A(3OH)-B(none)	Flavone	Norwogonin
0.333	[Flavone]-A(1OH)-B(2OH)	Flavone	7,3',4'-Trihydroxyflavone
0.333	[Flavone]-A(1OH)-B(2OH)	Flavone	5,2',5'-Trihydroxyflavone
0.231	[Anthocyanidin]-A(2OH)-B(1OH)	Anthocyanidin	Pelargonidin
0.231	[Chalcone]-A(1OH)-B(1OH, 1OMe)	Chalcone	Echinatin
0.231	[Chalcone]-A(1OH, 1OMe)-B(1OH)	Chalcone	Isoliquiritigenin 2'-methy ether
0.222	[Flavonol]-A(2OH)-B(none)	Flavonol	Galangin
0.214	[Isoflavone]-A(2OH)-B(1OH)	Isoflavone	Demethyltexasin
0.214	[Isoflavone]-A(2OH)-B(1OH)	Isoflavone	8-Hydroxydaidzein
0.214	[Isoflavone]-A(2OH)-B(1OH)	Isoflavone	5,7,2'-Trihydroxyisoflavone
0.214	[Isoflavone]-A(2OH)-B(1OH)	Isoflavone	5,7,3'-Trihydroxyisoflavone
0.214	[Isoflavone]-A(2OH)-B(1OH)	Isoflavone	Genistein
0.214	[Isoflavone]-A(1OH)-B(2OH)	Isoflavone	3'-Hydroxydaidzein
0.214	[Isoflavone]-A(1OH)-B(2OH)	Isoflavone	2'-Hydroxydaidzein
0.211	[Flavonol]-A(1OH)-B(1OH)	Flavonol	Resokaempferol
0.167	[Isoflavanone]-A(1OH)-B(1OMe)	Isoflavanone	Dihydroformononetin
0.167	[2'-Hydroxychalcone]-A(1OH, 1OMe)-B(1OH)	2'-Hydroxychalcone	Isoliquiritigenin 4'-methyl ether
0.167	[2'-Hydroxychalcone]-A(2OH)-B(1OMe)	2'-Hydroxychalcone	Isoliquiritigenin 4-methyl ether
0.167	[2'-Hydroxychalcone]-A(2OH)-B(1OMe)	2'-Hydroxychalcone	2',5'-Dihydroxy-4-methoxychalcone
0.167	[2'-Hydroxychalcone]-A(2OH, 1OMe)-B(none)	2'-Hydroxychalcone	Flemichapparin
0.167	[2'-Hydroxychalcone]-A(2OH, 1OMe)-B(none)	2'-Hydroxychalcone	Larrein
0.167	[2'-Hydroxychalcone]-A(2OH, 1OMe)-B(none)	2'-Hydroxychalcone	Cardamonin
0.167	[2'-Hydroxychalcone]-A(2OH, 1OMe)-B(none)	2'-Hydroxychalcone	2',6'-Dihydroxy-4'-methoxychalcone
0.143	[Flavanone]-A(1OH)-B(1OMe)	Flavanone	4'-Methylliquiritigenin
0.143	[Flavanone]-A(1OMe)-B(1OH)	Flavanone	Methyl-liquiritigenin
0.143	[Flavanone]-A(1OH, 1OMe)-B(none)	Flavanone	7-Hydroxy-8-methoxyflavanone
0.143	[Flavanone]-A(1OH, 1OMe)-B(none)	Flavanone	Alpinetin
0.143	[Flavanone]-A(1OH, 1OMe)-B(none)	Flavanone	Pinostrobin
0.100	[Pterocarpan]-A(1OH)-B(1OMe)	Pterocarpan	Medicarpin
0.100	[Pterocarpan]-A(1OMe)-B(1OH)	Pterocarpan	Isomedicarpin
0.000	[Aurone]-A(1OH)-B(2OH)	Aurone	Sulfuretin
0.000	[Aurone]-A(2OH)-B(1OH)	Aurone	4,6,4'-Trihydroxyaurone
0.000	[UBR-type derivative / 2',5'-Dioxo-3'-cyclopentenyl-type Calcone (alpha-OMe)]-A(1OMe)-B(none)	UBR-type derivative / 2',5'-Dioxo-3'-cyclopentenyl-type Calcone	Methyllucidone
0.000	[UBR-type derivative / 3',5'-Dioxo-1'-cyclopentenyl-type Dihydrocalcone]-A(3Methyl)-B(none)	UBR-type derivative / 3',5'-Dioxo-1'-cyclopentenyl-type Dihydrocalcone	4-Hydrocinnamoyl-2,2,5-trimethyl-4-cyclopentene-1,3-dione
0.000	[Flavanone]-A(2OH, 1Methyl)-B(none)	Flavanone	Strobopinin
0.000	[Flavanone]-A(2OH, 1Methyl)-B(none)	Flavanone	Cryptostrobin
0.000	[Flavan]-A(1OMe, 1Methyl)-B(1OH)	Flavan	4'-Hydroxy-7-methoxy-8-methylflavan
0.000	[Flavan]-A(1OH)-B(1([@@]-Methylenedioxy))	Flavan	7-Hydroxy-3',4'-methylenedioxyflavan
0.000	[Flavan]-A(2OMe)-B(none)	Flavan	Tephrowatsin E
0.000	[Flavan]-A(1OH, 1OMe, 1Methyl)-B(none)	Flavan	7-Hydroxy-5-methoxy-6-methylflavan
0.000	[3-DehydroxyAnthocyanidin]-A(2OH)-B(2OH)	3-DehydroxyAnthocyanidin	Luteolinidin
0.000	[isoflavene]-A(1OH)-B(1OH, 1OMe)	isoflavene	Haginin B
0.000	[2-Phenylbenzofuran]-A(1OMe)-B(1OH, 1OMe)	2-Phenylbenzofuran	Vignafuran
0.000	[2-Phenylbenzofuran]-A(1([@@]-Methylenedioxy))-B(2OH)	2-Phenylbenzofuran	2',4'-Dihydroxy-5,6-methylenedioxy-2-phenylbenzofuran
0.000	[Dalbergiquinol]-A(1OH, 2OMe)-B(none)	Dalbergiquinol	5-Hydroxy-2,4-dimethoxydalbergiquinol
0.000	[UBR-type derivative / [2,5]-Benzoquinonyl-type Dalbergiquinol]-A(1OMe)-B(1OH)	UBR-type derivative / [2,5]-Benzoquinonyl-type Dalbergiquinol	4'-Hydroxy-4-methoxydalbergione