ピーク情報

＜アルコール飲料類＞（醸造酒類）ぶどう酒赤

pos

Peak #3680 MN MID: SE117_S160111_M90

m/z: 275.09130, RT: 48.53, 強度: 1828, ログ強度: -0.12, 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: (48 names) Methysticin;4,2',4',alpha-Tetrahydroxydihydrochalcone;delta-Cotonefuran;Fomajorin S;beta-Pyrufuran;6,3'-Dihydroxy-2,4-dimethoxybenzophenone;Ptaerochromenol;11-Hydroxyyangonin;(R)-7,8-dihydroxy-alpha-d...

DBごとのヒット数: ALL 41 KG 11 KN 21 HM 9

FlavonoidSearch最大スコア MS2: 0.750, MS3: -

DB検索結果

ppm

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
C15H14O5	274.08412	-0.361	Methysticin	HMDB: HMDB0033590, HMDB0254671 KEGG: C09952 KNApSAcK: C00003005
C15H14O5	274.08412	-0.361	4,2',4',alpha-Tetrahydroxydihydrochalcone	FlavonoidViewer: FL1DHXNS0003 KNApSAcK: C00007947 LipidMAPS: LMPK12120575
C15H14O5	274.08412	-0.361	delta-Cotonefuran	KNApSAcK: C00047843
C15H14O5	274.08412	-0.361	Fomajorin S	KNApSAcK: C00021486
C15H14O5	274.08412	-0.361	beta-Pyrufuran	HMDB: HMDB0030634 KEGG: C08948 KNApSAcK: C00002407
C15H14O5	274.08412	-0.361	6,3'-Dihydroxy-2,4-dimethoxybenzophenone	KNApSAcK: C00044468
C15H14O5	274.08412	-0.361	11-Hydroxyyangonin	HMDB: HMDB0033017
C15H14O5	274.08412	-0.361	Ptaerochromenol	KEGG: C09029 KNApSAcK: C00002441
C15H14O5	274.08412	-0.361	(R)-7,8-dihydroxy-alpha-dunnione	KNApSAcK: C00042015
C15H14O5	274.08412	-0.361	Afzelechin	FlavonoidViewer: FL63AANS0001, FL63AANS0002, FL63AANS0003 HMDB: HMDB0030822, HMDB0030823 KEGG: C09320, C12128 KNApSAcK: C00000937, C00008805, C00008806 LipidMAPS: LMPK12020035, LMPK12020036, LMPK12020037
C15H14O5	274.08412	-0.361	6'-Hydroxy-O-desmethylangolensin	HMDB: HMDB0041695 KEGG: C22560
C15H14O5	274.08412	-0.361	Umtatin	KNApSAcK: C00035893
C15H14O5	274.08412	-0.361	Phebaclavin C	KNApSAcK: C00045364
C15H14O5	274.08412	-0.361	5-(3-Methyl-2-butenyloxy)-6,7-methylenedioxycoumarin	KNApSAcK: C00019962
C15H14O5	274.08412	-0.361	Fisetinidol	FlavonoidViewer: FL631CNS0001, FL631CNS0002, FL631CNS0003 HMDB: HMDB0030541 KEGG: C09735 KNApSAcK: C00008822, C00008823, C00008824 LipidMAPS: LMPK12020013, LMPK12020014, LMPK12020015
C15H14O5	274.08412	-0.361	Ficuformodiol A	KNApSAcK: C00035308
C15H14O5	274.08412	-0.361	Ficuformodiol B	KNApSAcK: C00035309
C15H14O5	274.08412	-0.361	3,3',5,5'-Tetrahydroxy-4-methoxystilbene	HMDB: HMDB0030377 KNApSAcK: C00015561
C15H14O5	274.08412	-0.361	alpha-Pyrufuran	HMDB: HMDB0030635 KEGG: C08929 KNApSAcK: C00002406
C15H14O5	274.08412	-0.361	Apiferol	FlavonoidViewer: FL64AANS0001 HMDB: HMDB0037232 KEGG: C12124 KNApSAcK: C00008975 LipidMAPS: LMPK12020166
C15H14O5	274.08412	-0.361	5'-Hydroxy-O-desmethylangolensin	HMDB: HMDB0041685
C15H14O5	274.08412	-0.361	Luteoliflavan	KEGG: C12122
C15H14O5	274.08412	-0.361	Greveichromenol	KNApSAcK: C00030428
C15H14O5	274.08412	-0.361	Mikacynancholide	KNApSAcK: C00012938
C15H14O5	274.08412	-0.361	5-Acetoxyisogoniothalamin oxide	KNApSAcK: C00036591
C15H14O5	274.08412	-0.361	Corymbiferan lactone D	KNApSAcK: C00043410
C15H14O5	274.08412	-0.361	3'-Hydroxy-O-desmethylangolensin	HMDB: HMDB0041654
C15H14O5	274.08412	-0.361	Eranthin	KNApSAcK: C00055840
C15H14O5	274.08412	-0.361	11-Methoxynoryangonin	HMDB: HMDB0030754
C15H14O5	274.08412	-0.361	Hydroxysesamone	HMDB: HMDB0037760
C15H14O5	274.08412	-0.361	2,3-Epoxysesamone	HMDB: HMDB0033333
C15H14O5	274.08412	-0.361	5,6-Dehydro-7,8-dihydromethysticin	KNApSAcK: C00043208
C15H14O5	274.08412	-0.361	Phloretin	FlavonoidViewer: FL1DAANS0001 HMDB: HMDB0003306 KEGG: C00774 KNApSAcK: C00007936 LipidMAPS: LMPK12120525
C15H14O5	274.08412	-0.361	Wyerone epoxide	HMDB: HMDB0030949
C15H14O5	274.08412	-0.361	Guibourtinidol-4alpha-ol	FlavonoidViewer: FL6D1ANS0001, FL6D1ANS0002, FL6D1ANS0003 HMDB: HMDB0040828 KEGG: C16415 KNApSAcK: C00008993, C00008994, C00008995, C00020071 LipidMAPS: LMPK12020175, LMPK12020176, LMPK12020177
C15H14O5	274.08412	-0.361	Miscandenin	KNApSAcK: C00012046
C15H14O5	274.08412	-0.361	H37	KEGG: C13767
C15H14O5	274.08412	-0.361	Hemigossypolone	HMDB: HMDB0030744
C15H14O5	274.08412	-0.361	Lecanorin	KNApSAcK: C00046797
C15H14O5	274.08412	-0.361	Avicequinone A	KNApSAcK: C00032748
C15H14O5	274.08412	-0.361	Anhydroscandenolide	KNApSAcK: C00012357

MSnスペクトル情報

Level: 2, プリカーサーm/z: 275.09131

Splash: splash10-0a4i-0900000000-7e7af0dab0a0635f3023

m/z	Int.	NL	Rel.Int.
106.91	7584	168	1000
148.83	2991	126	394
168.98	2744	106	361
127.00	1590	148	209

Score	Symbolized Name	MSMS-Category	MSMS-Aglycone
0.750	[Dihydrochalcone]-A(3OH)-B(1OH)	Dihydrochalcone	Phloretin
0.286	[Flavan 3-ol]-A(2OH)-B(1OH)	Flavan 3-ol	Afzelechin
0.000	[Flavan 3-ol]-A(1OH)-B(2OH)	Flavan 3-ol	Fisetinidol
0.000	[Auronol]-A(none)-B(1Cl)	Auronol	4'-Chloro-2-hydroxyaurone
0.000	[Dihydrochalcone alpha-ol]-A(2OH)-B(1OH)	Dihydrochalcone alpha-ol	4,2',4',alpha-Tetrahydroxydihydrochalcone
0.000	[Dihydrochalcone beta-ol]-A(2OH)-B(1OH)	Dihydrochalcone beta-ol	4,2',4',beta-Tetrahydroxydihydrochalcone
0.000	[Flavan 4-ol]-A(2OH)-B(1OH)	Flavan 4-ol	Apifero
0.000	[Flavan 3,4-diol]-A(1OH)-B(1OH)	Flavan 3,4-diol	3,4,7,4'-Tetrahydroxyflavan
0.000	[Flavan]-A(2OH)-B(2OH)	Flavan	5,7,3',4'-Tetrahydroxyflavan

Level: 3, プリカーサーm/z: 148.82396

Splash: splash10-0a4i-0900000000-53fa5fd4e2575d29d394

m/z	Int.	NL	Rel.Int.
106.92	102	42	1000

Level: 3, プリカーサーm/z: 106.92940

Splash: splash10-004i-9000000000-119016dfa219a826397f

ピーク情報

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MSnスペクトル情報

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