ピーク情報

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pos

Peak #1201 MN MID: SE199_S31_M90

m/z: 307.08308, RT: 19.15, 強度: 5358, ログ強度: 0.27, アダクト: [M+H]+, 共有数（同様のピークを含むサンプル数）: 12

DB検索結果: (2 names) 12-Sulfooxyjasmonate;12-Hydroxyjasmonate sulfate

DBごとのヒット数: ALL 1 KG 1

FlavonoidSearch最大スコア MS2: -, MS3: -

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
C12H18O7S	306.07732	-4.961	12-Sulfooxyjasmonate	KEGG: C21671

Level: 2, プリカーサーm/z: 307.08313

Splash: splash10-004j-0390000000-0f3f0bbd842f9134d22f

m/z	Int.	NL	Rel.Int.
129.93	27884	177	1000
298.58	25497	9	914
275.62	15694	31	562
242.71	10308	64	369
269.56	7765	38	278
299.21	2432	8	87
270.16	2067	37	74

Symbolized Name	MSMS-Category	MSMS-Aglycone
[Flavan 3-ol]-A(2OH)-B(3OH)	Flavan 3-ol	Gallocatechin
[Flavanone]-A(1([2,3:@@]-(6,6-Dimethylpyrano)))-B(none)	Flavanone	Isolonchocarpin
[2'-Hydroxychalcone]-A(1OH, 1([2,3:@@]-(6,6-Dimethylpyrano)))-B(none)	2'-Hydroxychalcone	Lonchocarpin
[Aurone]-A(1([2,3:@@]-Furano))-B(1([@@]-Methylenedioxy))	Aurone	3',4'-Methylenedioxyfurano[2'',3'':6,7]aurone
[Flavan 3,4-diol]-A(1OH)-B(3OH)	Flavan 3,4-diol	3,4,7,3',4',5'-Hexahydroxyflavan
[Flavan 3,4-diol]-A(2OH)-B(2OH)	Flavan 3,4-diol	3,4,7,8,3',4'-Hexahydroxyflavan
[Flavan 3,4-diol]-A(2OH)-B(2OH)	Flavan 3,4-diol	Catechin-4-ol
[Pterocarpene]-A(1([2,3:@@]-Furano))-B(1([@@]-Methylenedioxy))	Pterocarpene	Neoduleen

Level: 3, プリカーサーm/z: 129.98935

Splash: splash10-001i-9000000000-a612c7316fff7fe0334a

m/z	Int.	NL	Rel.Int.
83.94	862	46	1000

Level: 3, プリカーサーm/z: 298.56421

Splash: splash10-05mo-0190000000-5b03a379fc66eb57f008

m/z	Int.	NL	Rel.Int.
290.08	485	8	1000
267.06	310	32	639
257.12	245	41	505
130.01	136	169	280
265.10	57	33	117
261.28	42	37	86
234.12	26	64	52

Symbolized Name	MSMS-Category	MSMS-Aglycone
[Coumestan]-A(1OH)-B(1OH, 1OMe)	Coumestan	8-Methoxycoumestrol
[Coumestan]-A(1OH)-B(1OH, 1OMe)	Coumestan	Trifoliol
[Coumestan]-A(1OH, 1OMe)-B(1OH)	Coumestan	Sativol
[Flavone]-A(1OH, 1([@@]-Methylenedioxy))-B(1OH)	Flavone	Kanzakiflavone 2
[CCS-type derivative / [3,2']-Epoxymethanoflavone]-A(1OH)-B(2OH)	CCS-type derivative / [3,2']-Epoxymethanoflavone	Peltogynin
[CCS-type derivative / [3,2']-Epoxymethanoflavone]-A(1OH)-B(2OH)	CCS-type derivative / [3,2']-Epoxymethanoflavone	Mopanin
[Isoflavone]-A(1OH)-B(1OH, 1([@@]-Methylenedioxy))	Isoflavone	2-Hydroxypseudobaptigenin
[Isoflavone]-A(1OH)-B(1OH, 1([@@]-Methylenedioxy))	Isoflavone	Glyzaglabrin
[Isoflavone]-A(2OH)-B(1([@@]-Methylenedioxy))	Isoflavone	5-Hydroxypseudobaptigenin
[Isoflavone]-A(1OH, 1([@@]-Methylenedioxy))-B(1OH)	Isoflavone	Irisone B
[Isoflavone]-A(1OH, 1([@@]-Methylenedioxy))-B(1OH)	Isoflavone	Irilone
[UBR-type derivative / [2',5']-Benzoquinonyl-type Isoflavone]-A(1OH)-B(1OMe)	UBR-type derivative / [2',5']-Benzoquinonyl-type Isoflavone	Bowdichione
[3-Phenylcoumarin]-A(1OH)-B(1OH, 1([@@]-Methylenedioxy))	3-Phenylcoumarin	7,2'-Dihydroxy-4',5'-methylenedioxy-3-phenylcoumarin
[CCS-type derivative / [5,2']-Epoxy-4-phenylcoumarin]-A(1OMe)-B(2OH)	CCS-type derivative / [5,2']-Epoxy-4-phenylcoumarin	4',5'-Dihydroxy-7-methoxy-5,2'-oxido-4-phenylcoumarin