ピーク情報

＜コーヒー・ココア類＞コーヒー浸出液

pos

Peak #1928 MN MID: SE118_S160451_M90

m/z: 306.11817, RT: 24.07, 強度: 2181, ログ強度: -0.14, アダクト: [M+H]+, 共有数（同様のピークを含むサンプル数）: 3

DB検索結果: (2 names) Passiguatemalin;(-)-Passiguatemalin

DBごとのヒット数: ALL 1 KN 1

FlavonoidSearch最大スコア MS2: -, MS3: 0.048

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
C12H19O8N	305.11107	-0.581	Passiguatemalin	KNApSAcK: C00037600

MSnスペクトル情報

Level: 2, プリカーサーm/z: 306.11813

Splash: splash10-000i-0190000000-c8bdc7ee2c68f5654a5a

m/z	Int.	NL	Rel.Int.
288.84	813	17	1000
288.16	619	18	760
126.90	218	179	267
211.12	90	95	110
260.16	90	46	110
296.92	65	9	80
277.24	64	29	78
287.45	55	19	67
262.22	52	44	64
305.31	50	1	61

Level: 3, プリカーサーm/z: 288.88660

Splash: splash10-01ot-0390000000-2680cf18280faa607e6c

m/z	Int.	NL	Rel.Int.
246.12	101	43	1000
270.19	48	19	481
260.20	31	29	304
126.89	27	162	269
244.12	24	45	241
261.11	23	28	230
242.21	22	47	218
152.08	21	137	208
175.93	19	113	189
180.16	14	109	140
259.22	9	30	92
217.04	9	72	90
245.05	8	44	83
271.07	8	18	79
158.24	8	131	76
265.79	8	23	75
181.24	7	108	71
288.30	6	1	61
192.08	5	97	52

FlavonoidSearch結果

Score	Symbolized Name	MSMS-Category	MSMS-Aglycone
0.067	[Flavanone]-A(2OH)-B(2OH)	Flavanone	Plathymenin
0.067	[Flavanone]-A(2OH)-B(2OH)	Flavanone	Isookanin
0.048	[Dihydrochalcone]-A(3OH)-B(1OMe)	Dihydrochalcone	2',4',6'-Trihydroxy-4-methoxydihydrochalcone
0.037	[Isoflavanone]-A(2OH)-B(2OH)	Isoflavanone	Dalbergioidin
0.033	[2'-Hydroxychalcone]-A(2OH)-B(3OH)	2'-Hydroxychalcone	Robtein
0.033	[2'-Hydroxychalcone]-A(3OH)-B(2OH)	2'-Hydroxychalcone	Neoplathymenin
0.033	[2'-Hydroxychalcone]-A(3OH)-B(2OH)	2'-Hydroxychalcone	Okanin
0.000	[Dihydrochalcone]-A(1OH)-B(2OH, 1OMe)	Dihydrochalcone	Loureirin D
0.000	[Dihydrochalcone]-A(2OH, 1OMe)-B(1OH)	Dihydrochalcone	Asebogenin
0.000	[Dihydrochalcone]-A(2OH, 1OMe)-B(1OH)	Dihydrochalcone	4,2',4'-Trihydroxy-6'-methoxydihydrochalcone
0.000	[Dihydrochalcone]-A(1OH, 1OMe)-B(2OH)	Dihydrochalcone	Dihydrocalythropsin
0.000	[Dihydrochalcone]-A(2OH)-B(1OH, 1OMe)	Dihydrochalcone	4,2',4'-Trihydroxy-3-methoxydihydrochalcone
0.000	[Dihydroflavonol]-A(2OH)-B(1OH)	Dihydroflavonol	Aromadendrin
0.000	[Dihydroflavonol]-A(1OH)-B(2OH)	Dihydroflavonol	Fustin
0.000	[Dihydroflavonol]-A(2OH)-B(1OH)	Dihydroflavonol	3,5,7,2'-Tetrahydroxyflavanone
0.000	[Flavanone]-A(2OH)-B(2OH)	Flavanone	5,7,2',6'-Tetrahydroxyflavanone
0.000	[Flavanone]-A(2OH)-B(2OH)	Flavanone	5,7,2',5'-Tetrahydroxyflavanone
0.000	[Flavanone]-A(2OH)-B(2OH)	Flavanone	Eriodictyol
0.000	[Flavanone]-A(2OH)-B(2OH)	Flavanone	Steppogenin
0.000	[Flavanone]-A(3OH)-B(1OH)	Flavanone	Carthamidin
0.000	[Flavanone]-A(3OH)-B(1OH)	Flavanone	Isocarthamidin
0.000	[2'-Hydroxychalcone]-A(3OH)-B(2OH)	2'-Hydroxychalcone	3,4,2',4',6'-Pentahydroxychalcone
0.000	[Auronol]-A(1OH)-B(2OH)	Auronol	2,6,3',4'-Tetrahydroxy-2-benzylcoumaranone
0.000	[Auronol]-A(2OH)-B(1OH)	Auronol	Maesopsin
0.000	[alpha-Hydroxychalcone]-A(2OH)-B(2OH)	alpha-Hydroxychalcone	3,4,2',4',alpha-Pentahydroxychalcone
0.000	[Dihydrochalcone alpha-ol]-A(1OH, 1OMe)-B(1OH)	Dihydrochalcone alpha-ol	4,4',alpha-Trihydroxy-2'-methoxydihydrochalcone
0.000	[Dihydrochalcone alpha-ol]-A(2OH)-B(1OMe)	Dihydrochalcone alpha-ol	2',4',alpha-Trihydroxy-4-methoxydihydrochalcone
0.000	[2-Hydroxyflavanone]-A(2OH)-B(1OH)	2-Hydroxyflavanone	2,5,7,4'-Tetrahydroxyflavanone
0.000	[CCS-type derivative / [4,2']-Epoxyflavan 3-ol]-A(2OH)-B(1OH)	CCS-type derivative / [4,2']-Epoxyflavan 3-ol	Cyanomaclurin
0.000	[CCS-type derivative / [4,2']-Epoxyflavan 3-ol]-A(1OH)-B(2OH)	CCS-type derivative / [4,2']-Epoxyflavan 3-ol	6,12-Mehthano-6H,12H-dibenzo[b,f][1,5]dioxocin-2,3,9,13-tetrol
0.000	[Flavan]-A(1OH)-B(2OH, 1OMe)	Flavan	7,3',5'-Trihydroxy-4'-methoxyflavan

Level: 3, プリカーサーm/z: 288.18170

Splash: splash10-01vn-0190000000-8f70d17ee42c0dceba65

m/z	Int.	NL	Rel.Int.
246.24	62	42	1000
270.18	42	18	667
260.34	37	28	598
242.15	19	46	303
244.22	19	44	302
152.05	17	136	266
175.07	10	113	159
252.24	10	36	159
175.95	7	112	115
259.68	7	29	113
178.03	6	110	102
228.19	6	60	94
147.86	5	140	87
231.93	5	56	86
215.17	5	73	86
268.23	5	20	84
258.22	5	30	73
214.10	4	74	71