ピーク情報

リーフレタスグリーン

pos

Peak #12098 MN MID: SE198_S12_M90

m/z: 583.41450, RT: 81.94, 強度: 562341, ログ強度: 2.25, アダクト: [M+H]+, 共有数（同様のピークを含むサンプル数）: 6

DB検索結果: (22 names) (3S,4R,3'R)-7',8'-Didehydro-beta,beta-carotene-3,4,3'-triol;(3R,3'S,6'R)-7,8-Didehydro-beta,epsilon-carotene-3,3',6'-triol;alpha-Cryptoeutreptiellanone;(3S,3'R,5R,6S,6'R)-3,6-Epoxy-5,6-dihydro-3'-hydr...

DBごとのヒット数: ALL 18 KG 3 KN 11 LM 4

FlavonoidSearch最大スコア MS2: -, MS3: -

安定同位体ラベル実験で見積もられた原子数:

N: 0

S: 0

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
C40H54O3	582.40730	-0.120	Pectenol A	KNApSAcK: C00022909 LipidMAPS: LMPR01070069, LMPR01070070
C40H54O3	582.40730	-0.120	Gobiusxanthin	KNApSAcK: C00022917 LipidMAPS: LMPR01070195
C40H54O3	582.40730	-0.120	alpha-Cryptoeutreptiellanone	KNApSAcK: C00023041 LipidMAPS: LMPR01070939
C40H54O3	582.40730	-0.120	1',2'-Dihydroxy-3',4'-didehydro-1',2'-dihydro-beta,psi-caroten-4-one	LipidMAPS: LMPR01070191, LMPR01070573
C40H54O3	582.40730	-0.120	(3S,6R,6'S)-3,6-Dihydroxy-2',3'-didehydro-7,8-dihydro-gamma,epsilon-caroten-8-one	LipidMAPS: LMPR01070981
C40H54O3	582.40730	-0.120		LipidMAPS: LMPR01070216
C40H54O3	582.40730	-0.120	Diadinochrome	KNApSAcK: C00023239 LipidMAPS: LMPR01070715, LMPR01070716, LMPR01070717
C40H54O3	582.40730	-0.120	4-Ketolutein	KNApSAcK: C00007425, C00023006, C00023007 LipidMAPS: LMPR01070027, LMPR01070028, LMPR01070045, LMPR01070046, LMPR01070937
C40H54O3	582.40730	-0.120	Diatoxanthin 3,6-epoxide	HMDB: HMDB0037794 KNApSAcK: C00023238 LipidMAPS: LMPR01070718
C40H54O3	582.40730	-0.120	Deinoxanthin	KEGG: C16347 KNApSAcK: C00023009, C00053020 LipidMAPS: LMPR01070182, LMPR01070575
C40H54O3	582.40730	-0.120	Flexixanthin	KNApSAcK: C00023010 LipidMAPS: LMPR01070102
C40H54O3	582.40730	-0.120	(3'R,6'R)-3',4-dihydroxy-epsion,epsilon-carotene-3-one	LipidMAPS: LMPR01070978
C40H54O3	582.40730	-0.120	2,3-Dihydroxyechinenone	KNApSAcK: C00023002 LipidMAPS: LMPR01070793, LMPR01070794
C40H54O3	582.40730	-0.120	2,3-Dihydroxy-beta,psi-caroten-4-one	KNApSAcK: C00023008 LipidMAPS: LMPR01070574
C40H54O3	582.40730	-0.120	Capsanthone	HMDB: HMDB0303575 KNApSAcK: C00023053 LipidMAPS: LMPR01071003
C40H54O3	582.40730	-0.120	Adonixanthin	KEGG: C15968 KNApSAcK: C00000917 LipidMAPS: LMPR01070016
C40H54O3	582.40730	-0.120	7',8'-Didehydrodeepoxyneoxanthin	KNApSAcK: C00023233 LipidMAPS: LMPR01070650
C40H54O3	582.40730	-0.120	Diadinoxanthin	KEGG: C19921 KNApSAcK: C00022941, C00022942 LipidMAPS: LMPR01070719, LMPR01070720

MSnスペクトル情報

Level: 2, プリカーサーm/z: 583.41376

Splash: splash10-0006-0010910000-84fc6fb590f2ae458a07

m/z	Int.	NL	Rel.Int.
491.42	44939	92	1000
565.54	6035	18	134
221.13	5609	362	124
425.33	4658	158	103
399.38	2444	184	54

Symbolized Name	MSMS-Category	MSMS-Aglycone
[2'-Hydroxychalcone]-A(2OH, 1OMe, 1(5-Hydroxy-1,7-bis-(4-hydroxyphenyl)-hept-2-enyl))-B(1OH)	2'-Hydroxychalcone	Calyxin B
[Flavanone]-A(1OH, 1OMe, 1(5-Hydroxy-1,7-bis-(4-hydroxyphenyl)-hept-2-enyl))-B(1OH)	Flavanone	Calyxin C
[Flavanone]-A(1OH, 1OMe, 1(2-(4-Hydroxyphenyl)-6-(2-(4-hydroxyphenyl)ethyl)-tetrahydropyran-4-yl))-B(1OH)	Flavanone	Calyxin G
[Flavanone]-A(1OMe, 1([2,3:@@]-(4-(2-Hydroxy-4-(4-hydroxyphenyl)-butyl)-6-(4-hydroxyphenyl)-4,5-dihydropyrano)))-B(1OH)	Flavanone	Calyxin M
[Flavone]-A(2OH, 1(1(O-Vanilloyl)-C-Glu))-B(1OH)	Flavone	2''-O-Vanilloylvitexin
[Flavone]-A(2OH, 1(1(O-p-Methoxybenzoyl)-C-Glu))-B(2OH)	Flavone	Isoorientin 6''-O-p-methoxybenzoate
[4-substituted Flavan 3-ol (4-(2,4,6-Trihydroxyphenyl))]-A(2OH)-B(3OH)-C(1(O-Galloyl))	4-substituted Flavan 3-ol	4-(2,4,6-Trihydroxyphenyl)gallocatechin 3-O-galloate

Level: 3, プリカーサーm/z: 566.48822

Splash: splash10-0002-0242290000-a909eb583472b4bec1cd

ピーク情報

DB検索結果

MSnスペクトル情報

FlavonoidSearch結果

FlavonoidSearch結果

m/z	Int.	NL	Rel.Int.
548.47	252	18	1000
510.50	41	56	161
259.18	33	307	131
276.06	33	290	129
426.39	27	140	108
392.25	27	174	107
459.33	24	107	96
183.10	24	383	95
174.14	24	392	93
466.41	23	100	89
270.10	21	296	83
180.95	20	386	79
394.31	20	172	78
359.24	19	207	77
348.84	19	218	76
274.44	19	292	75
472.44	19	94	74
283.25	18	283	73
291.29	18	275	72
222.00	18	344	70