ピーク情報

トマト Micro-Tom 成熟果実の果皮

pos

Peak #10888 MN MID: SE203_S11_M90

m/z: 615.40505, RT: 99.24, 強度: 9744, ログ強度: 0.42, アダクト: [M+H]+, 共有数（同様のピークを含むサンプル数）: 7

DB検索結果: (13 names) 4-Hydroxymytiloxanthin;(3S,3'S,4S,5'R)-7,8-Didehydro-3,3',4,8'-tetrahydroxy-beta,kappa-caroten-6'-one;(2R,2'R,3S,3'R)-2,2',3,3'-Tetrahydroxy-beta,beta-caroten-4-one;19-Hydroxymytiloxanthin;(3R,3'S,5'R...

DBごとのヒット数: ALL 11 KG 1 KN 4 LM 6

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
C40H54O5	614.39712	1.064	4-Hydroxymytiloxanthin	KNApSAcK: C00023030 LipidMAPS: LMPR01070067
C40H54O5	614.39712	1.064	(2R,2'R,3S,3'R)-2,2',3,3'-Tetrahydroxy-beta,beta-caroten-4-one	KNApSAcK: C00023027 LipidMAPS: LMPR01070106, LMPR01070826
C40H54O5	614.39712	1.064	19-Hydroxymytiloxanthin	KNApSAcK: C00023031
C40H54O5	614.39712	1.064	(3R,3'R,5S)-3,3',5,19'-tetrahydroxy-7',8'-didehydro-gamma,epsilon-carotene-8-one	LipidMAPS: LMPR01070399
C40H54O5	614.39712	1.064	(3S,5R,6S,3'R,6'R)-5,6-Epoxy-3,3'-dihydroxy-5,6,7',8'-tetrahydro-beta,epsilon-caroten-19',11'-olide	LipidMAPS: LMPR01070203
C40H54O5	614.39712	1.064	Amarouciaxanthin A	HMDB: HMDB0244285 KNApSAcK: C00023066 LipidMAPS: LMPR01070078
C32H58O7N2S	614.39647	2.124	3-((3-Cholamidopropyl)dimethylammonium)-1-propanesulfonate	HMDB: HMDB0249881 KEGG: C11321
C33H59O8P	614.39476	4.918	1-(9Z,12Z,15Z-octadecatrienoyl)-2-dodecanoyl-glycero-3-phosphate	LipidMAPS: LMGP10010395
C33H59O8P	614.39476	4.918	1-dodecanoyl-2-(6Z,9Z,12Z-octadecatrienoyl)-glycero-3-phosphate	LipidMAPS: LMGP10010052
C33H59O8P	614.39476	4.918	1-(6Z,9Z,12Z-octadecatrienoyl)-2-dodecanoyl-glycero-3-phosphate	LipidMAPS: LMGP10010364
C33H59O8P	614.39476	4.918	1-dodecanoyl-2-(9Z,12Z,15Z-octadecatrienoyl)-glycero-3-phosphate	LipidMAPS: LMGP10010053

MSnスペクトル情報

Level: 2, プリカーサーm/z: 615.40533

Splash: splash10-0002-0000090000-f67a077a039effebd96f

m/z	Int.	NL	Rel.Int.
597.37	662	18	1000
598.49	175	17	264
415.32	62	200	94

Score	Symbolized Name	MSMS-Category	MSMS-Aglycone
0.000	[UBR-type derivative / 2'-Oxocyclohexa-4',6'-dienyl-type Chalcone]-A(3OH, 1(C-Glu), 1(2-Carboxy-1-(4-hydroxyphenyl)-ethyl))-B(1OH)	UBR-type derivative / 2'-Oxocyclohexa-4',6'-dienyl-type Chalcone	Safflomin C

Level: 3, プリカーサーm/z: 597.34113

Splash: splash10-01bi-0243930000-69ca2ab5c449d717f1b4

m/z	Int.	NL	Rel.Int.
415.35	34	182	1000
539.53	14	58	402
495.67	13	102	385
271.12	11	326	324
274.22	11	323	311
441.72	10	156	301
486.68	8	111	248
175.15	8	422	243
552.86	8	44	234
357.50	7	240	220
315.17	7	282	214
497.30	7	100	213
367.39	7	230	209
209.01	7	388	203
579.52	6	18	180
176.84	6	421	166
265.43	5	332	159
197.41	5	400	141
310.79	5	287	137
312.49	5	285	134

Symbolized Name	MSMS-Category	MSMS-Aglycone
[Flavanone]-A(2OH, 2(C-Glu))-B(1OH)	Flavanone	6,8-Di-C-glucopyranosylnaringenin
[Flavone]-A(2OH, 1(C-Glu), 1(C-Arabinosyl))-B(3OH)	Flavone	Tricetin 6-C-glucoside-8-C-arabinoside
[Flavone]-A(2OH, 1(C-Glu), 1(C-Arabinosyl))-B(3OH)	Flavone	Tricetin 6-C-arabinoside-8-C-glucoside

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