ピーク情報
タバコBY-2細胞 3日目
pos
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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: - |
DB検索結果
ppm
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 |