ピーク情報

タバコBY-2細胞　3日目

pos

Peak #864 MN MID: SE204_S03_M90

m/z: 289.09182, RT: 11.93, 強度: 23819, ログ強度: 0.98, アダクト: [M-3(H2O)+H]+, 共有数（同様のピークを含むサンプル数）: 18

DB検索結果: (25 names) Lactulose;Sakebiose;Nigerose;Inulobiose;Trehalose;Turanose;Gentiobiose;Isomaltulose;Sakebiose;Lactose;Melibiose;Sophorose;Trehalulose;Kojibiose;Sucrose;Maltulose;4-O-alpha-D-Glucopyranosyl-D-fructose;...

DBごとのヒット数: ALL 23 KG 15 KN 4 HM 4

FlavonoidSearch最大スコア MS2: 0.125, 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
C12H22O11	342.11621	0.077	Lactulose	HMDB: HMDB0000740 KEGG: C07064
C12H22O11	342.11621	0.077	Sakebiose	HMDB: HMDB0006603, HMDB0259415 KNApSAcK: C00050493
C12H22O11	342.11621	0.077	Inulobiose	HMDB: HMDB0029898, HMDB0304763 KEGG: C01711
C12H22O11	342.11621	0.077	Trehalose	HMDB: HMDB0000975, HMDB0029880 KEGG: C01083 KNApSAcK: C00001152
C12H22O11	342.11621	0.077	Gentiobiose	HMDB: HMDB0259486 KNApSAcK: C00018660, C00053253
C12H22O11	342.11621	0.077	Turanose	HMDB: HMDB0011740, HMDB0260157 KEGG: C19636 KNApSAcK: C00053105
C12H22O11	342.11621	0.077	Melibiulose	HMDB: HMDB0247101 KEGG: C19634 KNApSAcK: C00053368
C12H22O11	342.11621	0.077	Nigerose	HMDB: HMDB0029882, HMDB0060068, HMDB0242694 KEGG: C01518, C02048, C04147, C19773, C22512 KNApSAcK: C00001137
C12H22O11	342.11621	0.077	beta-Lactose	HMDB: HMDB0000055, HMDB0000163, HMDB0000186, HMDB0029902, HMDB0029933, HMDB0033368, HMDB0037138, HMDB0041627, HMDB0246552 KEGG: C01970, C01971, C06422, C20861, C00185, C00208, C00897, C02964, C00243, C06421, C20236, C22492 KNApSAcK: C00001134, C00001136, C00001140, C00050427
C12H22O11	342.11621	0.077	Melibiose	HMDB: HMDB0000048, HMDB0002923, HMDB0006792, HMDB0038489, HMDB0248216 KEGG: C00252, C01728, C05402, C08240, C05400 KNApSAcK: C00001142
C12H22O11	342.11621	0.077	Sophorose	HMDB: HMDB0252573 KEGG: C08250, C15548, C22632, C21336 KNApSAcK: C00001149
C12H22O11	342.11621	0.077	Trehalulose	HMDB: HMDB0039727
C12H22O11	342.11621	0.077	Kojibiose	HMDB: HMDB0011742 KEGG: C19632 KNApSAcK: C00050477
C12H22O11	342.11621	0.077	Sucrose	HMDB: HMDB0000258, HMDB0246276 KEGG: C00089, C18068, C04219 KNApSAcK: C00001151
C12H22O11	342.11621	0.077	Maltulose	KEGG: C19633
C12H22O11	342.11621	0.077	beta-D-Galf-(1->5)-beta-D-galactofuranoside	KEGG: C22958
C12H22O11	342.11621	0.077	(3S,4R,5S)-3,4,5,6-Tetrahydroxy-1-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyhexan-2-one	HMDB: HMDB0260158
C12H22O11	342.11621	0.077	Palatinose	HMDB: HMDB0256083 KEGG: C01742
C12H22O11	342.11621	0.077	4-O-beta-D-Mannopyranosyl-D-mannose	HMDB: HMDB0242553 KNApSAcK: C00053459
C12H22O11	342.11621	0.077	Difructan	KNApSAcK: C00055102
C12H22O11	342.11621	0.077	Galactinol	HMDB: HMDB0005826, HMDB0039876 KEGG: C01235 KNApSAcK: C00001162, C00038295
C12H22O11	342.11621	0.077	Levanbiose	KEGG: C01725
C12H22O11	342.11621	0.077	Glucinol	HMDB: HMDB0039237
C12H22O11	342.11621	0.077	Maltulose	HMDB: HMDB0029919

MSnスペクトル情報

Level: 2, プリカーサーm/z: 289.09171

Splash: splash10-00di-0490000000-a170279f55e1b0f4e61a

m/z	Int.	NL	Rel.Int.
270.96	3231	18	1000
126.86	1499	162	463
252.98	1298	36	401
222.98	320	66	99
162.83	316	126	97
144.94	309	144	95
125.95	291	163	90
210.92	281	78	86
108.77	188	180	58

FlavonoidSearch結果

Score	Symbolized Name	MSMS-Category	MSMS-Aglycone
0.125	[2'-Hydroxychalcone]-A(3OH)-B(2OH)	2'-Hydroxychalcone	3,4,2',4',6'-Pentahydroxychalcone
0.118	[Flavanone]-A(2OH)-B(2OH)	Flavanone	5,7,2',6'-Tetrahydroxyflavanone
0.118	[Flavanone]-A(2OH)-B(2OH)	Flavanone	5,7,2',5'-Tetrahydroxyflavanone
0.118	[Flavanone]-A(2OH)-B(2OH)	Flavanone	Eriodictyol
0.118	[Flavanone]-A(2OH)-B(2OH)	Flavanone	Steppogenin
0.105	[2'-Hydroxychalcone]-A(2OH)-B(3OH)	2'-Hydroxychalcone	Robtein
0.105	[2'-Hydroxychalcone]-A(3OH)-B(2OH)	2'-Hydroxychalcone	Neoplathymenin
0.105	[2'-Hydroxychalcone]-A(3OH)-B(2OH)	2'-Hydroxychalcone	Okanin
0.100	[Flavanone]-A(2OH)-B(2OH)	Flavanone	Plathymenin
0.100	[Flavanone]-A(2OH)-B(2OH)	Flavanone	Isookanin
0.091	[Dihydrochalcone]-A(3OH)-B(1OMe)	Dihydrochalcone	2',4',6'-Trihydroxy-4-methoxydihydrochalcone
0.083	[Dihydroflavonol]-A(1OH)-B(2OH)	Dihydroflavonol	Fustin
0.083	[Dihydroflavonol]-A(2OH)-B(1OH)	Dihydroflavonol	3,5,7,2'-Tetrahydroxyflavanone
0.063	[Dihydroflavonol]-A(2OH)-B(1OH)	Dihydroflavonol	Aromadendrin
0.059	[Isoflavanone]-A(2OH)-B(2OH)	Isoflavanone	Dalbergioidin
0.056	[Flavanone]-A(3OH)-B(1OH)	Flavanone	Carthamidin
0.056	[Flavanone]-A(3OH)-B(1OH)	Flavanone	Isocarthamidin
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	[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

関連ピーク情報

ピーク番号	保持時間 (min)	m/z	m/z差分	ログ強度	アダクト	DB検索結果	ヒット数	MSn	FS2	FS3	共有数
	11.91	363.06879	73.9770	1.01	[M+K]+, [M-H2O+K]+	(4 names) Difructose anhydride III; Bis-D-fructose 2',1:2,1'-dianhydride; Difructose anhydride I; Furaltadone	ALL 3 KG 3				18
	11.92	342.13939	53.0476	1.65	[M+NH4]+, [M-H2O+NH4]+	(4 names) Difructose anhydride III; Bis-D-fructose 2',1:2,1'-dianhydride; Difructose anhydride I; Furaltadone	ALL 3 KG 3	MS2 MS3 x 2		0.087	17
	11.93	325.11262	36.0208	2.49	[M+H]+, [M-H2O+H]+	(3 names) Difructose anhydride III; Bis-D-fructose 2',1:2,1'-dianhydride; Difructose anhydride I	ALL 2 KG 2	MS2 MS3 x 2	0.087	0.115	25
	11.92	307.10237	18.0106	0.53	[M-2(H2O)+H]+	(25 names) Lactulose; Sakebiose; Nigerose; Inulobiose; Trehalose; Turanose; Gentiobiose; Isomaltulose; Sakebiose; Lactose; Melibiose; Sophorose; Trehalulose; Kojibiose; Sucrose; Maltulose; 4-O-alpha-D-Glucopyranosyl-D-fructose; ...	ALL 23 KG 15 KN 4 HM 4				15
864	11.93	289.09182	0.0000	0.98	[M-3(H2O)+H]+	(25 names) Lactulose; Sakebiose; Nigerose; Inulobiose; Trehalose; Turanose; Gentiobiose; Isomaltulose; Sakebiose; Lactose; Melibiose; Sophorose; Trehalulose; Kojibiose; Sucrose; Maltulose; 4-O-alpha-D-Glucopyranosyl-D-fructose; ...	ALL 23 KG 15 KN 4 HM 4	MS2	0.125		18
	11.96	271.08124	-18.0106	0.08	[M-4(H2O)+H]+	(25 names) Lactulose; Sakebiose; Nigerose; Inulobiose; Trehalose; Turanose; Gentiobiose; Isomaltulose; Sakebiose; Lactose; Melibiose; Sophorose; Trehalulose; Kojibiose; Sucrose; Maltulose; 4-O-alpha-D-Glucopyranosyl-D-fructose; ...	ALL 23 KG 15 KN 4 HM 4				13