ピーク情報

ポプラ, 幼植物, 地上部

pos

Peak #9800 MN MID: SE205_S08_M90

m/z: 601.42683, RT: 104.92, 強度: 31547, ログ強度: 0.90, アダクト: [M+H]+, 共有数（同様のピークを含むサンプル数）: 5

DB検索結果: (35 names) 4-Hydroxymyxol;Capsanthin 3,6-epoxide;(3S,3'S,4R,4'R)-Crustaxanthin;(3S,4R,3'S,5'R)-3,4,3'-Trihydroxy-beta,kappa-caroten-6'-one;(3S,5R,6R,3'S,5'R)-3,5,3'-Trihydroxy-6,7-didehydro-5,6-dihydro-beta,kapp...

DBごとのヒット数: ALL 32 KG 6 KN 18 HM 1 LM 7

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
C40H56O4	600.41786	2.824		LipidMAPS: LMPR01070200
C40H56O4	600.41786	2.824	4-Hydroxymyxol	KEGG: C15932 LipidMAPS: LMPR01070190, LMPR01070531, LMPR01070532
C40H56O4	600.41786	2.824	Capsanthin 3,6-epoxide	HMDB: HMDB0033260 KNApSAcK: C00023042 LipidMAPS: LMPR01070050
C40H56O4	600.41786	2.824	(3S,3'S,4R,4'R)-Crustaxanthin	KNApSAcK: C00022924, C00023234 LipidMAPS: LMPR01070664, LMPR01070665, LMPR01070666, LMPR01070667
C40H56O4	600.41786	2.824	Lilixanthin	KNApSAcK: C00023024 LipidMAPS: LMPR01071012
C40H56O4	600.41786	2.824	Capsoneoxanthin	KNApSAcK: C00023025 LipidMAPS: LMPR01071010
C40H56O4	600.41786	2.824	(2S,2'S)-Oscillol	KEGG: C16274 LipidMAPS: LMPR01070187, LMPR01070444
C40H56O4	600.41786	2.824	Siphonaxanthin	HMDB: HMDB0258309 LipidMAPS: LMPR01070158
C40H56O4	600.41786	2.824	9Z,9'Z-(3R,5S,6S,3'R,5'S,6'S)-3,3'-dihydroxy-5,6,5',6'-tetrahydro-beta,beta-carotene-4,4'-dione	LipidMAPS: LMPR01070803
C40H56O4	600.41786	2.824	Preprasinoxanthin	KNApSAcK: C00023034 LipidMAPS: LMPR01070201
C40H56O4	600.41786	2.824	Cucurbitaxanthin B	HMDB: HMDB0035320 KNApSAcK: C00022954 LipidMAPS: LMPR01070065
C40H56O4	600.41786	2.824	Salmoxanthin	HMDB: HMDB0036912 KNApSAcK: C00046367 LipidMAPS: LMPR01070193
C40H56O4	600.41786	2.824	Cucurbitachrome 2	HMDB: HMDB0041581 KNApSAcK: C00022956, C00054371 LipidMAPS: LMPR01070736
C40H56O4	600.41786	2.824	6-Epiheteroxanthin	HMDB: HMDB0036873 KNApSAcK: C00022925, C00022926.obs, C00023237 LipidMAPS: LMPR01070668, LMPR01070670
C40H56O4	600.41786	2.824	Corbiculaxanthin	KNApSAcK: C00023235 LipidMAPS: LMPR01070663
C40H56O4	600.41786	2.824	5,5'-Dihydroxy-5,6,5',6'-tetrahydro-beta,beta-carotene-3,3'-dione	LipidMAPS: LMPR01070824
C40H56O4	600.41786	2.824	Auroxanthin	HMDB: HMDB0036876 LipidMAPS: LMPR01070732, LMPR01070733, LMPR01070734, LMPR01070735
C40H56O4	600.41786	2.824	Neoxanthin	HMDB: HMDB0003020, HMDB0302969 KEGG: C08606, C13431 KNApSAcK: C00003780 LipidMAPS: LMPR01070290, LMPR01070291
C40H56O4	600.41786	2.824	Capsorubin	HMDB: HMDB0036924 KEGG: C08585 KNApSAcK: C00003764 LipidMAPS: LMPR01070048
C40H56O4	600.41786	2.824	Capsanthin 5,6-epoxide	HMDB: HMDB0036588 KNApSAcK: C00023035 LipidMAPS: LMPR01071008, LMPR01071009
C40H56O4	600.41786	2.824	Formosaninol	KNApSAcK: C00031792, C00032254
C40H56O4	600.41786	2.824	Violaxanthin	HMDB: HMDB0003101, HMDB0260078, HMDB0302970, HMDB0303784, HMDB0304252 KEGG: C08614, C13433 KNApSAcK: C00003787, C00045500 LipidMAPS: LMPR01070282, LMPR01070284
C40H56O4	600.41786	2.824	Nostoxanthin	KEGG: C16284 KNApSAcK: C00022921 LipidMAPS: LMPR01070104
C40H56O4	600.41786	2.824	5,8-Epoxy-5,8-dihydro-beta,epsilon-carotene-3,3',6'-triol	LipidMAPS: LMPR01070926
C40H56O4	600.41786	2.824	Capsochrome	HMDB: HMDB0036913
C40H56O4	600.41786	2.824	Cycloviolaxanthin	HMDB: HMDB0038106 KNApSAcK: C00022955 LipidMAPS: LMPR01070063
C40H56O4	600.41786	2.824	(8'R)-Neochrome	HMDB: HMDB0302169 KNApSAcK: C00023254 LipidMAPS: LMPR01070727
C40H56O4	600.41786	2.824	Luteoxanthin	HMDB: HMDB0303064 LipidMAPS: LMPR01070301, LMPR01070730, LMPR01070731
C40H56O4	600.41786	2.824	Mimulaxanthin	KNApSAcK: C00022929 LipidMAPS: LMPR01070669
C40H56O4	600.41786	2.824	Siphonaxanthin	KNApSAcK: C00023022
C40H56O4	600.41786	2.824	beta-Carotenone	HMDB: HMDB0039023 KNApSAcK: C00023173 LipidMAPS: LMPR01070880
C40H56O4	600.41786	2.824	Capsochrome	KNApSAcK: C00054690 LipidMAPS: LMPR01071011

MSnスペクトル情報

Level: 2, プリカーサーm/z: 601.42535

Splash: splash10-001i-0031190000-a2b424668f1fd054407c

m/z	Int.	NL	Rel.Int.
583.45	764	18	1000
582.29	467	19	611
221.10	222	380	290
508.46	176	93	230
300.28	106	301	138
445.19	99	156	129
557.25	89	44	116
564.34	80	37	104
490.23	75	111	98
285.22	75	316	98
237.18	64	364	84
222.23	64	379	83
507.60	57	94	74
211.20	54	390	70
392.40	50	209	65
286.22	47	315	61
209.07	47	392	60
376.51	45	225	59
550.76	45	51	58
432.39	45	169	58

Score	Symbolized Name	MSMS-Category	MSMS-Aglycone
0.000	[Flavone]-A(2OH, 1(1(O-Galloyl)-C-Glu))-B(2OH)	Flavone	Isoorientin 2''-O-gallate
0.000	[Flavone]-A(2OH, 1(1(O-Galloyl)-C-Glu))-B(2OH)	Flavone	Orientin 2''-O-gallate

Level: 3, プリカーサーm/z: 583.37476

Splash: splash10-014m-0494250000-5dbf77da6d596a288e3f

m/z	Int.	NL	Rel.Int.
565.19	41	18	1000
299.25	17	284	413
249.08	14	334	332
375.35	11	208	271
221.17	11	362	267
281.66	11	302	264
193.06	10	390	256
361.12	10	222	252
393.45	10	190	250
441.73	10	142	239
555.71	9	28	228
176.94	9	406	217
256.17	9	327	212
288.15	9	295	210
309.22	9	274	209
194.96	8	388	193
456.55	7	127	171
186.19	7	397	170
482.64	7	101	169
246.92	7	336	159

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

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