ピーク情報

＜貝類＞ほたてがい生

pos

Peak #1188 MN MID: SE114_S103111_M90

m/z: 275.10257, RT: 13.09, 強度: 331609, ログ強度: 2.21, アダクト: [2M+H]+, 共有数（同様のピークを含むサンプル数）: 45

DB検索結果: (19 names) 2-Pyridylacetic acid;Homarine;4-Nitrotoluene;Trigonelline;2-Acetyl-3-hydroxypyridine;m-Aminobenzoic acid;4-Methylnicotinic acid;6-Methyl-2-pyridinecarboxylic acid;Methyl nicotinate;N-Hydroxybenzamide;...

DBごとのヒット数: ALL 19 KG 7 KN 2 HM 10

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
C7H7O2N	137.04768	-0.233	2-Pyridylacetic acid	HMDB: HMDB0060722
C7H7O2N	137.04768	-0.233	Homarine	HMDB: HMDB0253198
C7H7O2N	137.04768	-0.233	4-Nitrotoluene	HMDB: HMDB0246551 KEGG: C14394
C7H7O2N	137.04768	-0.233	Trigonelline	HMDB: HMDB0000875 KEGG: C01004 KNApSAcK: C00001555
C7H7O2N	137.04768	-0.233	m-Aminobenzoic acid	HMDB: HMDB0001891
C7H7O2N	137.04768	-0.233	4-Methylnicotinic acid	HMDB: HMDB0246513
C7H7O2N	137.04768	-0.233	2-Acetyl-3-hydroxypyridine	KNApSAcK: C00055505
C7H7O2N	137.04768	-0.233	6-Methyl-2-pyridinecarboxylic acid	HMDB: HMDB0247665
C7H7O2N	137.04768	-0.233	N-Hydroxybenzamide	HMDB: HMDB0255153
C7H7O2N	137.04768	-0.233	Methyl nicotinate	HMDB: HMDB0029806 KNApSAcK: C00044235
C7H7O2N	137.04768	-0.233	Phenyl carbamate	HMDB: HMDB0256423
C7H7O2N	137.04768	-0.233	2-Nitrotoluene	HMDB: HMDB0245268 KEGG: C19597
C7H7O2N	137.04768	-0.233	2-Hydroxybenzaldehyde oxime	HMDB: HMDB0245151
C7H7O2N	137.04768	-0.233	Salicylamide	HMDB: HMDB0015687
C7H7O2N	137.04768	-0.233	3-Pyridylacetic acid	HMDB: HMDB0001538
C7H7O2N	137.04768	-0.233	4-Aminobenzoate	HMDB: HMDB0001392, [-1]HMDB0304171 KEGG: C00568 KNApSAcK: C00001401
C7H7O2N	137.04768	-0.233	Anthranilate	HMDB: HMDB0001123 KEGG: C00108 KNApSAcK: C00007382
C7H7O2N	137.04768	-0.233	3-Nitrotoluene	HMDB: HMDB0245952 KEGG: C19486

MSnスペクトル情報

Level: 2, プリカーサーm/z: 275.10254

Splash: splash10-000i-1910000000-d6c97697531c6bb13997

m/z	Int.	NL	Rel.Int.
137.95	223329	137	1000
93.98	40290	181	180
231.08	29462	44	131
187.07	16417	88	73

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

Level: 3, プリカーサーm/z: 137.90256

Splash: splash10-0a4i-0900000000-ce7752b857478e362cb8

m/z	Int.	NL	Rel.Int.
105.99	1458	32	1000
137.91	483	-0	331
95.70	202	42	138
225.96	151	-88	103

関連ピーク情報

ピーク番号	保持時間 (min)	m/z	m/z差分	ログ強度	アダクト	DB検索結果	ヒット数	MSn	FS2	共有数
	13.08	313.05838	37.9558	1.27	[2M+K]+	(19 names) 2-Pyridylacetic acid; Homarine; 4-Nitrotoluene; Trigonelline; 2-Acetyl-3-hydroxypyridine; m-Aminobenzoic acid; 4-Methylnicotinic acid; 6-Methyl-2-pyridinecarboxylic acid; Methyl nicotinate; N-Hydroxybenzamide; ...	ALL 19 KG 7 KN 2 HM 10	MS2	0.167	7
	13.08	297.08448	21.9819	1.16	[2M+Na]+	(19 names) 2-Pyridylacetic acid; Homarine; 4-Nitrotoluene; Trigonelline; 2-Acetyl-3-hydroxypyridine; m-Aminobenzoic acid; 4-Methylnicotinic acid; 6-Methyl-2-pyridinecarboxylic acid; Methyl nicotinate; N-Hydroxybenzamide; ...	ALL 19 KG 7 KN 2 HM 10	MS2	0.167	7
1188	13.09	275.10257	0.0000	2.21	[2M+H]+	(19 names) 2-Pyridylacetic acid; Homarine; 4-Nitrotoluene; Trigonelline; 2-Acetyl-3-hydroxypyridine; m-Aminobenzoic acid; 4-Methylnicotinic acid; 6-Methyl-2-pyridinecarboxylic acid; Methyl nicotinate; N-Hydroxybenzamide; ...	ALL 19 KG 7 KN 2 HM 10	MS2 MS3		45

ピーク情報

DB検索結果

MSnスペクトル情報

FlavonoidSearch結果

FlavonoidSearch結果

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