ピーク情報
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パセリ 葉
pos
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| Peak #8843 MN MID: SE61_S21_M90 |
| m/z: 469.27924, RT: 72.81, 強度: 106723, ログ強度: 1.44, アダクト: [M-H2O+H]+, 共有数（同様のピークを含むサンプル数）: 5 |
| DB検索結果: (8 names) DG(2:0/0:0/6 keto-PGF1alpha);DG(2:0/TXB2/0:0);10,11-Dihydro-12-hydroxynerolidol 3-O-beta-D-2'-acetylglucoside;DG(2:0/6 keto-PGF1alpha/0:0);DG(2:0/0:0/TXB2);DG(TXB2/2:0/0:0);1-(7Z,10Z,13Z-hexadecatrien... |
| DBごとのヒット数: ALL 8 KN 1 HM 6 LM 1 |
| FlavonoidSearch最大スコア MS2: -, MS3: 0.038 |
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 |
|---|---|---|---|---|
| C25H42O9 | 486.28288 | -0.725 | DG(2:0/0:0/6 keto-PGF1alpha) | HMDB: HMDB0296913, HMDB0296914 |
| C25H42O9 | 486.28288 | -0.725 | DG(2:0/TXB2/0:0) | HMDB: HMDB0296931 |
| C25H42O9 | 486.28288 | -0.725 | 10,11-Dihydro-12-hydroxynerolidol 3-O-beta-D-2'-acetylglucoside | KNApSAcK: C00019369 |
| C25H42O9 | 486.28288 | -0.725 | DG(2:0/6 keto-PGF1alpha/0:0) | HMDB: HMDB0296911 |
| C25H42O9 | 486.28288 | -0.725 | DG(2:0/0:0/TXB2) | HMDB: HMDB0296933, HMDB0296934 |
| C25H42O9 | 486.28288 | -0.725 | DG(TXB2/2:0/0:0) | HMDB: HMDB0296932 |
| C25H42O9 | 486.28288 | -0.725 | 1-(7Z,10Z,13Z-hexadecatrienoyl)-3-O-beta-D-galactosyl-sn-glycerol | LipidMAPS: LMGL04010009 |
| C25H42O9 | 486.28288 | -0.725 | DG(6 keto-PGF1alpha/2:0/0:0) | HMDB: HMDB0296912 |
MSnスペクトル情報
| Level: 2, プリカーサーm/z: 469.27853 |
| Splash: splash10-0aor-0249500000-5efc1cc1fb8b9e9ae628 |
| m/z | Int. | NL | Rel.Int. |
|---|---|---|---|
| 307.23 | 22907 | 162 | 1000 |
| 451.35 | 8405 | 18 | 366 |
| 415.39 | 6663 | 54 | 290 |
| 215.20 | 5630 | 254 | 245 |
| 433.40 | 5556 | 36 | 242 |
| 233.24 | 3842 | 236 | 167 |
| 341.32 | 2794 | 128 | 121 |
| 323.28 | 2767 | 146 | 120 |
| 159.10 | 2269 | 310 | 99 |
| 213.22 | 2108 | 256 | 92 |
| 171.10 | 2081 | 298 | 90 |
| 231.20 | 1869 | 238 | 81 |
| 173.15 | 1810 | 296 | 79 |
| 187.16 | 1556 | 282 | 67 |
| 377.29 | 1547 | 92 | 67 |
| 335.37 | 1523 | 134 | 66 |
| 225.17 | 1445 | 244 | 63 |
| 239.19 | 1381 | 230 | 60 |
| 397.38 | 1352 | 72 | 59 |
| 275.25 | 1345 | 194 | 58 |
FlavonoidSearch結果
| Score | Symbolized Name | MSMS-Category | MSMS-Aglycone |
|---|---|---|---|
| 0.000 | [Flavanone]-A(2OH, 1(2-Hydroxybenzyl), 1(2-Hydroxybenzyl))-B(none) | Flavanone | Dichamanetin |
| 0.000 | [Flavanone]-A(1OH, 1OMe, 1Lavandulyl)-B(2OH, 1OMe) | Flavanone | Exiguaflavanone E |
| 0.000 | [CCS-type derivative / [2',3]-(Epoxy-1-hydroperoxyisopropanylethano)flavone]-A(1OH, 1OMe)-B(1OH) | CCS-type derivative / [2',3]-(Epoxy-1-hydroperoxyisopropanylethano)flavone | Artoindonesianin B |
| 0.000 | [Flavan 3-ol]-A(2OH)-B(3OH)-C(1(O-Caffeoyl)) | Flavan 3-ol | Gallocatechin 3-O-caffeate |
| 0.000 | [Flavan 3-ol]-A(1OH, 1([2,3:@@]-(4-(3,4-Dihydroxyphenyl)-6-oxodihydropyrano)))-B(3OH) | Flavan 3-ol | Apocynin A |
| 0.000 | [Isoflavone]-A(1OH, 1(3-Hydroxy-3-methylbutyl), 11([2,3:@@]-(6,6-Dimethyldihydropyrano)))-B(2OMe) | Isoflavone | 1'',2''-Dihydro-8-hydroxyisopentanyl-3'-methoxy-4'-O-methylalpinumisoflavone |
| 0.000 | [Isoflavone]-A(1OH, 1(3-Hydroxy-3-methylbutyl), 11([2,3:@@]-(6,6-Dimethyldihydropyrano)))-B(2OMe) | Isoflavone | 1'',2''-Dihydro-8-hydroxyisopentanyl-2'-methoxy-4'-O-methylalpinumisoflavone |
| Level: 3, プリカーサーm/z: 307.22739 |
| Splash: splash10-06e9-1920000000-33fc0609f815394aeb92 |
| m/z | Int. | NL | Rel.Int. |
|---|---|---|---|
| 215.14 | 969 | 92 | 1000 |
| 121.09 | 643 | 186 | 663 |
| 133.08 | 638 | 174 | 657 |
| 172.94 | 591 | 134 | 610 |
| 148.97 | 557 | 158 | 575 |
| 119.07 | 494 | 188 | 509 |
| 135.11 | 468 | 172 | 482 |
| 131.12 | 461 | 176 | 476 |
| 109.17 | 417 | 198 | 430 |
| 159.00 | 395 | 148 | 407 |
| 95.06 | 362 | 212 | 373 |
| 289.16 | 316 | 18 | 325 |
| 92.98 | 309 | 214 | 319 |
| 187.23 | 307 | 120 | 317 |
| 105.00 | 298 | 202 | 307 |
| 91.05 | 261 | 216 | 269 |
| 233.14 | 246 | 74 | 254 |
| 147.07 | 238 | 160 | 245 |
| 137.15 | 237 | 170 | 244 |
| 145.08 | 216 | 162 | 223 |
FlavonoidSearch結果
| Score | Symbolized Name | MSMS-Category | MSMS-Aglycone |
|---|---|---|---|
| 0.065 | [Flavanone]-A(1([2,3:@@]-(6,6-Dimethylpyrano)))-B(none) | Flavanone | Isolonchocarpin |
| 0.065 | [2'-Hydroxychalcone]-A(1OH, 1([2,3:@@]-(6,6-Dimethylpyrano)))-B(none) | 2'-Hydroxychalcone | Lonchocarpin |
| 0.000 | [Flavan 3-ol]-A(2OH)-B(3OH) | Flavan 3-ol | Gallocatechin |
| 0.000 | [Aurone]-A(1([2,3:@@]-Furano))-B(1([@@]-Methylenedioxy)) | Aurone | 3',4'-Methylenedioxyfurano[2'',3'':6,7]aurone |
| 0.000 | [Flavan 3,4-diol]-A(1OH)-B(3OH) | Flavan 3,4-diol | 3,4,7,3',4',5'-Hexahydroxyflavan |
| 0.000 | [Flavan 3,4-diol]-A(2OH)-B(2OH) | Flavan 3,4-diol | 3,4,7,8,3',4'-Hexahydroxyflavan |
| 0.000 | [Flavan 3,4-diol]-A(2OH)-B(2OH) | Flavan 3,4-diol | Catechin-4-ol |
| 0.000 | [Pterocarpene]-A(1([2,3:@@]-Furano))-B(1([@@]-Methylenedioxy)) | Pterocarpene | Neoduleen |
| Level: 3, プリカーサーm/z: 451.35068 |
| Splash: splash10-01q9-0495500000-b505d433945ef974a4d1 |
| m/z | Int. | NL | Rel.Int. |
|---|---|---|---|
| 433.47 | 418 | 18 | 1000 |
| 415.32 | 296 | 36 | 709 |
| 201.16 | 273 | 250 | 653 |
| 341.23 | 234 | 110 | 558 |
| 263.02 | 225 | 188 | 539 |
| 131.13 | 220 | 320 | 527 |
| 214.88 | 197 | 236 | 471 |
| 377.26 | 179 | 74 | 429 |
| 173.03 | 157 | 278 | 376 |
| 257.38 | 134 | 194 | 321 |
| 397.48 | 132 | 54 | 316 |
| 243.45 | 127 | 208 | 304 |
| 157.23 | 119 | 294 | 283 |
| 347.38 | 109 | 104 | 261 |
| 299.30 | 109 | 152 | 260 |
| 359.40 | 103 | 92 | 246 |
| 182.94 | 102 | 268 | 243 |
| 186.16 | 99 | 265 | 236 |
| 249.15 | 97 | 202 | 231 |
| 232.44 | 96 | 219 | 230 |
FlavonoidSearch結果
| Score | Symbolized Name | MSMS-Category | MSMS-Aglycone |
|---|---|---|---|
| 0.000 | [Flavanone]-A(2OH, 1(C-Glu))-B(2OH) | Flavanone | 8-C-Glucopyranosyleriodictylol |
| 0.000 | [Flavanone]-A(2OH, 1(C-Glu))-B(2OH) | Flavanone | 5,7,3',4'-Tetrahydroxyflavanone 6-C-glucoside |
| 0.000 | [Flavone]-A(1OMe, 1([5,4:@@]-(2,2-Dimethyldihydro-3a-acetoxy-3-oxofuro[2,3-c]pyrano)))-B(none) | Flavone | Tephrodin |
| 0.000 | [CCS-type derivative / [2',3]-Prenyloxidoflavone]-A(2OH, 1(C-Prenyl))-B(1OH, 1OMe) | CCS-type derivative / [2',3]-Prenyloxidoflavone | Dihydrocycloartomunin |
| 0.000 | [CCS-type derivative / [2',3]-Prenyloxidoflavone]-A(1OH, 1OMe, 1(C-Prenyl))-B(2OH) | CCS-type derivative / [2',3]-Prenyloxidoflavone | Cycloaltilisin |
| 0.000 | [CCS-type derivative / [2',3]-Prenyloxidoflavone]-A(2OH, 1(C-Prenyl))-B(1OH, 1OMe) | CCS-type derivative / [2',3]-Prenyloxidoflavone | Dihydroisocycloartomunin |
| 0.000 | [CCS-type derivative / [2,2a,5:3',2',3]-7,7-Dimethyltetrahydroisobenzofuranoflavone]-A(1OH, 1OMe)-B(2OH, 1(C-Prenyl)) | CCS-type derivative / [2,2a,5:3',2',3]-7,7-Dimethyltetrahydroisobenzofuranoflavone | Artonin T |
| 0.000 | [Dihydroflavonol]-A(2OH, 1(C-Glu))-B(1OH) | Dihydroflavonol | 6-C-Glucosylaromadendrin |
| 0.000 | [Dihydroflavonol]-A(2OH, 1(C-Glu))-B(1OH) | Dihydroflavonol | 8-C-Glucosylaromadendrin |
| 0.000 | [Flavonol (3-OMe)]-A(1OH, 1(C-Prenyl), 1([2,3:@@]-(6,6-Dimethylpyrano)))-B(2OH) | Flavonol | Broussoflavonol A |
| 0.000 | [Isoflavone]-A(2OH, 2(C-Prenyl))-B(1OH, 1([@@]-Methylenedioxy)) | Isoflavone | Euchrenone b5 |
| 0.000 | [Isoflavone]-A(1OH, 1([2,3:@@]-(6,6-Dimethylpyrano)))-B(2OH, 1OMe, 1(C-Prenyl)) | Isoflavone | Cajaisoflavone |
| 0.000 | [Isoflavanone]-A(2OH, 1(C-Glu))-B(2OH) | Isoflavanone | Macrocarposide |
| 0.000 | [Coumaranochromon]-A(2OH, 1(C-Prenyl))-B(1OH, 1OMe, 1(C-Prenyl)) | Coumaranochromon | 8-Prenyllisetin |