ピーク情報

リーフレタスグリーン

neg

Peak #10854 MN MID: SE198_S12_M91

m/z: 581.16682, RT: 57.34, 強度: 253376, ログ強度: 1.97, アダクト: [3M-H]-, 共有数（同様のピークを含むサンプル数）: 1

DB検索結果: (35 names) Speciosin D;(+)-Speciosin D;Silvaticol;Methyl 2-(4-methoxyphenyl)-2-oxoacetate;2,5-Dihydroxycinnamic acid methyl ester;Kakuol;Piperonyl acetate;Dimethyl phthalate;3-Deoxyisoochracinic acid;(-)-3-Deoxy...

DBごとのヒット数: ALL 30 KG 10 KN 10 HM 8 LM 2

FlavonoidSearch最大スコア MS2: -, 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
C10H10O4	194.05791	0.640	Speciosin D	KNApSAcK: C00048137
C10H10O4	194.05791	0.640	Phenylsuccinate	KEGG: C22494
C10H10O4	194.05791	0.640	Silvaticol	KNApSAcK: C00045405
C10H10O4	194.05791	0.640	2,5-Dihydroxycinnamic acid methyl ester	HMDB: HMDB0061686
C10H10O4	194.05791	0.640	Methyl 2-(4-methoxyphenyl)-2-oxoacetate	KNApSAcK: C00046137
C10H10O4	194.05791	0.640	Kakuol	KEGG: C16982 KNApSAcK: C00051119
C10H10O4	194.05791	0.640	Piperonyl acetate	HMDB: HMDB0032614
C10H10O4	194.05791	0.640	Dimethyl phthalate	HMDB: HMDB0251388 KEGG: C11233
C10H10O4	194.05791	0.640	mono-Benzyl malonate	HMDB: HMDB0059721
C10H10O4	194.05791	0.640	3-Deoxyisoochracinic acid	KNApSAcK: C00045560
C10H10O4	194.05791	0.640	Isoferulic acid	HMDB: HMDB0000955, HMDB0259693 KEGG: C10470 KNApSAcK: C00002752
C10H10O4	194.05791	0.640	Ferulic acid	HMDB: HMDB0000954, HMDB0240705, [-1f]HMDB0303721 KEGG: C01494 KNApSAcK: C00002743, C00034325
C10H10O4	194.05791	0.640	2,4,8-Trihydroxy-1-tetralone	KEGG: C09974 KNApSAcK: C00003020
C10H10O4	194.05791	0.640	Vanillin acetate	HMDB: HMDB0029663
C10H10O4	194.05791	0.640	3-(2-Formyl-3-hydroxyphenyl)-propionic acid	KNApSAcK: C00045552
C10H10O4	194.05791	0.640	Deca-4,6,8-triyne-1,1,2,3-tetraol	LipidMAPS: LMFA05000711
C10H10O4	194.05791	0.640	4-(2-Hydroxyphenyl)-4-oxobutyric acid	KNApSAcK: C00034393
C10H10O4	194.05791	0.640	6-Hydroxymellein	HMDB: HMDB0303675 KEGG: C02379 KNApSAcK: C00000554
C10H10O4	194.05791	0.640	Methyl caffeate	HMDB: HMDB0246032 KEGG: C10477 KNApSAcK: C00002759
C10H10O4	194.05791	0.640	3-(2-Hydroxy-3-methoxyphenyl)-2-propenoic acid	HMDB: HMDB0037644
C10H10O4	194.05791	0.640	Enalin A	KNApSAcK: C00034497
C10H10O4	194.05791	0.640	Repandiol	HMDB: HMDB0039606
C10H10O4	194.05791	0.640	5-Hydroxyconiferaldehyde	HMDB: HMDB0304215 KEGG: C12204 KNApSAcK: C00007611, C00052737
C10H10O4	194.05791	0.640	2E,4E,6Z,8Z-Decatetraenedioic acid	LipidMAPS: LMFA01170003, LMFA01170004, LMFA01170005
C10H10O4	194.05791	0.640	Bombardolide C	KNApSAcK: C00045692
C10H10O4	194.05791	0.640	Meconine	HMDB: HMDB0032652 KNApSAcK: C00051520
C10H10O4	194.05791	0.640	Scytalone	KEGG: C00779
C10H10O4	194.05791	0.640	Monoethyl phthalate	HMDB: HMDB0002120
C10H10O4	194.05791	0.640	4-Hydroxymellein	HMDB: HMDB0030765 KNApSAcK: C00000119, C00029969, C00032373

MSnスペクトル情報

Level: 2, プリカーサーm/z: 581.16565

Splash: splash10-02t9-0076900000-4a93c5ac749abb259f6f

m/z	Int.	NL	Rel.Int.
411.17	15440	170	1000
217.06	12166	364	788
369.12	6633	212	429
387.03	6070	194	393
429.10	3522	152	228
295.04	3078	286	199
285.08	2157	296	139
545.22	2040	36	132
175.10	1614	406	104
447.11	1378	134	89
357.09	1285	224	83

Level: 3, プリカーサーm/z: 411.11456

Splash: splash10-014i-0090000000-23754efe2e46dc7a5a1c

m/z	Int.	NL	Rel.Int.
216.97	8615	194	1000

Level: 3, プリカーサーm/z: 217.18130

Splash: splash10-00ds-0900000000-072b87ef6aece8a9ced5

m/z	Int.	NL	Rel.Int.
172.95	2558	44	1000
145.06	2354	72	920
189.07	1246	28	487
186.94	998	30	390

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MSnスペクトル情報

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