ピーク情報

＜魚類＞（かじき類）めかじき生

pos

Peak #785 MN MID: SE117_S100851_M90

m/z: 697.09971, RT: 12.98, 強度: 2818220, ログ強度: 2.73, アダクト: [2M+H]+, 共有数（同様のピークを含むサンプル数）: 36

DB検索結果: (11 names) 3-Deoxy-D-glycero-D-galacto-non-2-ulopyranosonate 9-phosphate;2-Keto-3-deoxy-D-glycero-D-galacto-nononate 9-phosphate;3-Deoxy-D-glycero-D-galacto-non-2-ulosonate 9-phosphate;KDN 9-phosphate;2-(alpha-D...

DBごとのヒット数: ALL 8 KG 4 KN 1 HM 3

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
C9H17O12P	348.04576	1.297	3-Deoxy-D-glycero-D-galacto-non-2-ulopyranosonate 9-phosphate	KEGG: C21383
C9H17O12P	348.04576	1.297	2-(alpha-D-Mannosyl)-3-phosphoglycerate	KEGG: C11516, C19791
C9H17O12P	348.04576	1.297	2-O-(6-Phospho-alpha-mannosyl)-D-glycerate	HMDB: HMDB0012152 KEGG: C16699
C9H17O12P	348.04576	1.297	Glucose-6-phosphate lactate	HMDB: HMDB0252789
C10H13O8N4P	348.04710	-2.546	Inosine 2'-phosphate	HMDB: HMDB0011681
C10H13O8N4P	348.04710	-2.546	IMP	HMDB: HMDB0000175, HMDB0257686 KEGG: C00130 KNApSAcK: C00007224

MSnスペクトル情報

Level: 2, プリカーサーm/z: 697.10040

Splash: splash10-0002-0009010000-9586470973518d6801ea

m/z	Int.	NL	Rel.Int.
349.02	376938	348	1000
560.84	78584	136	208
484.84	37593	212	99
350.12	25811	347	68

Score	Symbolized Name	MSMS-Category	MSMS-Aglycone
0.000	[Dihydrochalcone]-A(2OH, 1OMe, 1(2-Hydroxybenzyl), 1(3x2-hydroxybenzyl))-B(none)	Dihydrochalcone	2',4'-Dihydroxy-6'-methoxy-3'-(2-hydroxybenzyl)-5'-(3 x 2-hydroxybenzyl)dihydrochalcone

Level: 3, プリカーサーm/z: 349.01666

Splash: splash10-000i-0910000000-431db8954cba085ace47

m/z	Int.	NL	Rel.Int.
136.98	225623	212	1000
233.09	28829	116	127
118.90	25911	230	114

Symbolized Name	MSMS-Category	MSMS-Aglycone
[Coumestan]-A(1OMe)-B(1([2,3:@@]-(6,6-Dimethylpyrano)))	Coumestan	Tuberostan
[Dihydroflavonol]-A(2OH)-B(1OH, 2OMe)	Dihydroflavonol	Dihydrosyringetin
[Dihydroflavonol]-A(2OH, 1OMe)-B(1OH, 1OMe)	Dihydroflavonol	3,5,7,3'-Tetrahydroxy-8,4'-dimethoxyflavanone
[Dihydroflavonol]-A(1OH, 2OMe)-B(2OH)	Dihydroflavonol	Dihydrogossypetin 7,8-dimethyl ether
[Isoflavan]-A(2OH, 1OMe)-B(1OH, 2OMe)	Isoflavan	Machaerol C
[Flavonol]-A(3OH)-B(2OH, 1OMe)	Flavonol	3,6,7,8,3',4'-Hexahydroxy-5'-methoxyflavone
[Flavonol]-A(2OH, 1OMe)-B(3OH)	Flavonol	Hibiscetin 8-methyl ether
[Flavonol]-A(4OH)-B(1OH, 1OMe)	Flavonol	3,5,6,7,8,4'-Hexahydroxy-3'-methoxyflavone
[Flavan 3-ol]-A(1OH, 1OMe)-B(1OH, 2OMe)	Flavan 3-ol	Gallocatechin 7,3',5'-trimethyl ether
[Flavone]-A(1([@@]-Methylenedioxy))-B(1([2,3:@@]-(6,6-Dimethylpyrano)))	Flavone	6'',6''-Dimethyl-3',4'-methylenedioxypyrano[2'',3'':7,8]flavone
[Flavone]-A(2OMe, 1(3-Methylbutadienyl))-B(none)	Flavone	trans-Anhydrotephrostachin
[Dihydroflavonol]-A(2OH, 2Methyl)-B(3OH)	Dihydroflavonol	3,5,7,3',4',5'-Hexahydroxy-6,8-dimethylflavanone
[4-substituted Flavan 3-ol (4-Carboxymethyl)]-A(2OH)-B(2OH)	4-substituted Flavan 3-ol	Dryopteric acid
[Isoflavone]-A(1([@@]-Methylenedioxy))-B(1([2,3:@@]-(6,6-Dimethylpyrano)))	Isoflavone	Calopogoniumisoflavone B
[Pterocarpan]-A(1([2,3:@@]-Furano))-B(1OH, 1(C-Prenyl))	Pterocarpan	Erybraedin E

Level: 3, プリカーサーm/z: 560.83990

Splash: splash10-0002-0009000000-5570708bbbb3c833b0b0

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MSnスペクトル情報

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