ピーク情報

こむぎ［パン類］食パン

pos

Peak #6900 MN MID: SE112_S010261_M90

m/z: 348.27409, RT: 61.94, 強度: 462763, ログ強度: 2.28, アダクト: [M+NH4]+, 共有数（同様のピークを含むサンプル数）: 45

DB検索結果: (12 names) 2R-undecanoyloxy-3R-hydroxy-4-methylpentanoic acid methyl ester;5,8,12-Trihydroxy-9-octadecenoic acid;3R-undecanoyloxy-2R-hydroxy-4-methylpentanoic acid methyl ester;9,10,18-trihydroxy-12-octadecenoic...

DBごとのヒット数: ALL 12 KG 3 KN 1 LM 8

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
C18H34O5	330.24062	-1.076	3R-undecanoyloxy-2R-hydroxy-4-methylpentanoic acid methyl ester	LipidMAPS: LMFA07090107
C18H34O5	330.24062	-1.076	11,12,13-trihydroxy-9-octadecenoic acid	LipidMAPS: LMFA02000165
C18H34O5	330.24062	-1.076	9,10,13-TriHOME	HMDB: HMDB0004710 KEGG: C14835 LipidMAPS: LMFA02000168, LMFA02000330, LMFA02000331, LMFA02000332, LMFA02000333, LMFA02000334, LMFA02000335, LMFA02000336, LMFA02000337
C18H34O5	330.24062	-1.076	9,10-Dihydroxy-12,13-epoxyoctadecanoate	KEGG: C14837
C18H34O5	330.24062	-1.076		LipidMAPS: LMFA01050555
C18H34O5	330.24062	-1.076	(2S,3S,5R)-tetrahydro-3-hydroxy-5-[(1R)-1-hydroxyhexyl]-2-furanoctanoic acid	LipidMAPS: LMFA01150073
C18H34O5	330.24062	-1.076	2R-undecanoyloxy-3R-hydroxy-4-methylpentanoic acid methyl ester	LipidMAPS: LMFA07090110
C18H34O5	330.24062	-1.076	5,8,12-Trihydroxy-9-octadecenoic acid	HMDB: HMDB0030936 LipidMAPS: LMFA01050543, LMFA02000221
C18H34O5	330.24062	-1.076	9,10,18-trihydroxy-12-octadecenoic acid	LipidMAPS: LMFA02000222, LMFA02000223, LMFA02000317
C18H34O5	330.24062	-1.076	9,12,13-TriHOME	HMDB: HMDB0004708, HMDB0038555 KEGG: C14833 KNApSAcK: C00035037, C00041298 LipidMAPS: LMFA02000014, LMFA02000169, LMFA02000294, LMFA02000338, LMFA02000339, LMFA02000340, LMFA02000341, LMFA02000342, LMFA02000343
C18H34O5	330.24062	-1.076	Tianshic acid	KNApSAcK: C00032358
C18H34O5	330.24062	-1.076	8R,9R,10S-trihydroxy-6Z-octadecenoic acid	LipidMAPS: LMFA02000363
C18H34O5	330.24062	-1.076	9S,10S,11R-trihydroxy-12Z-octadecenoic acid	LipidMAPS: LMFA02000011

MSnスペクトル情報

Level: 2, プリカーサーm/z: 348.27417

Splash: splash10-03di-0191000000-4204729e1f6fa179fa21

m/z	Int.	NL	Rel.Int.
212.87	23018	135	1000
295.17	4180	53	181
313.08	3367	35	146
172.83	3081	175	133
195.00	2210	153	95
312.36	1153	36	50

Level: 3, プリカーサーm/z: 295.16724

Splash: splash10-004i-0090000000-b05f2908245690a2369b

m/z	Int.	NL	Rel.Int.
277.16	1441	18	1000

Symbolized Name	MSMS-Category	MSMS-Aglycone
[Auronol (2-OMe)]-A(1([2,3:@@]-Furano))-B(none)	Auronol	Castillene A
[beta-Hydroxy(or Oxodihydro)chalcone]-A(1OMe, 1Oxo, 1([2,3:@@]-Furano))-B(none)	beta-Hydroxy(or Oxodihydro)chalcone	Pongamol
[Flavanone]-A(1OMe, 1([2,3:@@]-Furano))-B(none)	Flavanone	6-Methoxy-[2'',3'':7,8]furanoflavanone
[Dihydroflavonol (3-OMe)]-A(1([2,3:@@]-Furano))-B(none)	Dihydroflavonol	3-Methoxy-[2'',3'':7,8]furanoflavanone
[2-substituted Isoflavone (2-Methyl)]-A(1OH, 1Acetyl)-B(none)	2-substituted Isoflavone	Glyzarin
[Pterocarpan]-A(1([2,3:@@]-Furano))-B(1OMe)	Pterocarpan	9-O-Methylneodunol

Level: 3, プリカーサーm/z: 212.87006

Splash: splash10-0002-0900000000-ad0bacd29b4bdcce04c0

m/z	Int.	NL	Rel.Int.
195.20	90	18	1000

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	FS3	共有数
	61.94	353.22990	4.9558	1.51	[M+Na]+	(12 names) 2R-undecanoyloxy-3R-hydroxy-4-methylpentanoic acid methyl ester; 5,8,12-Trihydroxy-9-octadecenoic acid; 3R-undecanoyloxy-2R-hydroxy-4-methylpentanoic acid methyl ester; 9,10,18-trihydroxy-12-octadecenoic...	ALL 12 KG 3 KN 1 LM 8	MS2 MS3	0.077	0.167	14
6900	61.94	348.27409	0.0000	2.28	[M+NH4]+	(12 names) 2R-undecanoyloxy-3R-hydroxy-4-methylpentanoic acid methyl ester; 5,8,12-Trihydroxy-9-octadecenoic acid; 3R-undecanoyloxy-2R-hydroxy-4-methylpentanoic acid methyl ester; 9,10,18-trihydroxy-12-octadecenoic...	ALL 12 KG 3 KN 1 LM 8	MS2 MS3 x 2			45

ピーク情報

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MSnスペクトル情報

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