ピーク情報
|
トマト Micro-Tom 花
pos
|
| Peak #7325 MN MID: SE203_S31_M90 |
| m/z: 901.48330, RT: 46.25, 強度: 209960, ログ強度: 1.66, 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: (31 names) PGP(PGF1alpha/16:1(9Z));PGP(PGE1/16:0);PGP(16:0/PGF2alpha);PGP(PGF2alpha/16:0);PGP(18:0/5-iso PGF2VI);PGP(i-16:0/PGE1);PGP(16:0/PGE1);PGP(i-18:0/5-iso PGF2VI);PGP(16:1(9Z)/PGF1alpha);PGP(16:0/PGD1);PG... |
| DBごとのヒット数: ALL 27 KN 8 HM 18 LM 1 |
| FlavonoidSearch最大スコア MS2: -, MS3: 0.077 |
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 |
|---|---|---|---|---|
| C42H78O16P2 | 900.47651 | -0.542 | PGP(PGF1alpha/16:1(9Z)) | HMDB: HMDB0272493 |
| C42H78O16P2 | 900.47651 | -0.542 | PGP(PGE1/16:0) | HMDB: HMDB0272385 |
| C42H78O16P2 | 900.47651 | -0.542 | PGP(16:0/PGF2alpha) | HMDB: HMDB0272322 |
| C42H78O16P2 | 900.47651 | -0.542 | PGP(PGF2alpha/16:0) | HMDB: HMDB0272323 |
| C42H78O16P2 | 900.47651 | -0.542 | PGP(18:0/5-iso PGF2VI) | HMDB: HMDB0272544 |
| C42H78O16P2 | 900.47651 | -0.542 | PGP(i-16:0/PGE1) | HMDB: HMDB0275292 |
| C42H78O16P2 | 900.47651 | -0.542 | PGP(16:0/PGE1) | HMDB: HMDB0272384 |
| C42H78O16P2 | 900.47651 | -0.542 | PGP(i-18:0/5-iso PGF2VI) | HMDB: HMDB0275452 |
| C42H78O16P2 | 900.47651 | -0.542 | PGP(16:1(9Z)/PGF1alpha) | HMDB: HMDB0272492 |
| C42H78O16P2 | 900.47651 | -0.542 | PGP(16:0/PGD1) | HMDB: HMDB0272386 |
| C42H78O16P2 | 900.47651 | -0.542 | PGP(PGD1/i-16:0) | HMDB: HMDB0275295 |
| C42H78O16P2 | 900.47651 | -0.542 | PGP(PGE1/i-16:0) | HMDB: HMDB0275293 |
| C42H78O16P2 | 900.47651 | -0.542 | PGP(PGF2alpha/i-16:0) | HMDB: HMDB0275231 |
| C42H78O16P2 | 900.47651 | -0.542 | PGP(i-16:0/PGD1) | HMDB: HMDB0275294 |
| C42H78O16P2 | 900.47651 | -0.542 | PGP(5-iso PGF2VI/18:0) | HMDB: HMDB0272545 |
| C42H78O16P2 | 900.47651 | -0.542 | PGP(5-iso PGF2VI/i-18:0) | HMDB: HMDB0275453 |
| C42H78O16P2 | 900.47651 | -0.542 | PGP(PGD1/16:0) | HMDB: HMDB0272387 |
| C45H72O18 | 900.47187 | 4.618 | Polygonatoside D | KNApSAcK: C00043833 |
| C45H72O18 | 900.47187 | 4.618 | Lyconoside Ib | KNApSAcK: C00034039 |
| C45H72O18 | 900.47187 | 4.618 | Neosibiricoside D | KNApSAcK: C00041694 |
| C45H72O18 | 900.47187 | 4.618 | Fistuloside B | HMDB: HMDB0039004 |
| C45H72O18 | 900.47187 | 4.618 | Borassoside C | KNApSAcK: C00029839, C00029840 |
| C45H72O18 | 900.47187 | 4.618 | Ascalonicoside B | KNApSAcK: C00055263 |
| C45H72O18 | 900.47187 | 4.618 | Lyconoside III | KNApSAcK: C00034041 |
| C45H72O18 | 900.47187 | 4.618 | 26-O-beta-d-glucopyranosyl-(25R)-3beta,22alpha,26-trihydroxyfurost-5,7-dien- 3-O-alpha-l-rhamnopyranosyl-(1-2)-beta-d-glucopyranoside | LipidMAPS: LMST01070024 |
| C45H72O18 | 900.47187 | 4.618 | Surculoside C | KNApSAcK: C00046945 |
| C45H72O18 | 900.47187 | 4.618 | 26-Desglucoavenacoside A | HMDB: HMDB0033799 KNApSAcK: C00055398 |
MSnスペクトル情報
| Level: 2, プリカーサーm/z: 901.48114 |
| Splash: splash10-014i-0002910010-bbb27a140b56b9f95f1e |
| m/z | Int. | NL | Rel.Int. |
|---|---|---|---|
| 415.37 | 52942 | 486 | 1000 |
| 397.46 | 17230 | 504 | 325 |
| 577.52 | 8515 | 324 | 160 |
| 883.59 | 8344 | 18 | 157 |
| 739.51 | 4488 | 162 | 84 |
FlavonoidSearch結果
ヒットなし
| Level: 3, プリカーサーm/z: 415.38373 |
| Splash: splash10-014j-0198000000-dad1483d0dd487a69c04 |
| m/z | Int. | NL | Rel.Int. |
|---|---|---|---|
| 397.48 | 5256 | 18 | 1000 |
| 215.12 | 4642 | 200 | 883 |
| 317.32 | 3142 | 98 | 597 |
| 271.32 | 2140 | 144 | 407 |
| 233.07 | 844 | 182 | 160 |
| 289.32 | 842 | 126 | 160 |
| 163.10 | 786 | 252 | 149 |
| 253.20 | 732 | 162 | 139 |
| 379.47 | 497 | 36 | 94 |
| 167.13 | 449 | 248 | 85 |
| 341.30 | 390 | 74 | 74 |
| 299.20 | 385 | 116 | 73 |
| 231.37 | 271 | 184 | 51 |
FlavonoidSearch結果
| Score | Symbolized Name | MSMS-Category | MSMS-Aglycone |
|---|---|---|---|
| 0.077 | [Flavanone]-A(2OH, 1(C-Prenyl))-B(3OMe) | Flavanone | Heteroflavanone C |
| 0.030 | [Flavonol]-A(2OH, 1OMe, 1(C-Prenyl))-B(1OH, 1OMe) | Flavonol | 3,5,8,4'-Tetrahydroxy-7,3'-dimethoxy-6-(3-methylbut-2''-enyl)flavone |
| 0.000 | [Flavanone]-A(2OH, 1(C-Prenyl), 1(2-Hydroxyethyl))-B(1OH, 1OMe) | Flavanone | Laxiflorin |
| 0.000 | [Flavanone]-A(2OH, 1(1(O-Acetyl)-(E)-4-Hydroxyprenyl))-B(2OH) | Flavanone | Kanzonol S |
| 0.000 | [Flavone]-A(2OH, 1(3,4-Dihydroxy-6-methyl-5-oxotetrahydro-2-pyranyl))-B(1OH) | Flavone | 3'-Deoxyderhamnosylmaysin |
| 0.000 | [Flavone]-A(1OH, 1([2,3:@@]-(8,9-Dihydroxy-7-hydroxymethyl-1,6-dioxaspiro[4,4]non-2-ene)))-B(1OH) | Flavone | Pinnatifinoside A |
| 0.000 | [Flavone]-A(1OH, 1OMe, 1(C-Digitoxopyranosyl))-B(1OH) | Flavone | Aciculatin |
| 0.000 | [Flavone]-A(2OH, 1(6-Deoxy-beta-L-ribo-hexopyranos-3-ulos-1-yl))-B(1OH) | Flavone | 6-C-(6-Deoxy-beta-L-ribo-hexopyranos-3-ulos-1-yl)apigenin |
| 0.000 | [4-substituted Flavan 3-ol (4-(2,4,6-Trihydroxyphenyl))]-A(2OH)-B(2OH) | 4-substituted Flavan 3-ol | Prodelphinidin B6 |
| 0.000 | [12a-Hydroxyrotenone]-A(1([2,3:@@]-(5-(2-Hydroxy-1-methylethyl)dihydrofurano)))-B(1OH, 1OMe) | 12a-Hydroxyrotenone | Volubinol |
| Level: 3, プリカーサーm/z: 397.40826 |
| Splash: splash10-004j-0298000000-e6be7ee9568a992a8503 |
| m/z | Int. | NL | Rel.Int. |
|---|---|---|---|
| 379.47 | 1660 | 18 | 1000 |
| 299.30 | 979 | 98 | 589 |
| 215.21 | 303 | 182 | 182 |
| 327.30 | 219 | 70 | 131 |
| 271.11 | 207 | 126 | 124 |
| 273.15 | 153 | 124 | 91 |
| 253.21 | 138 | 144 | 82 |
| 149.23 | 135 | 248 | 81 |
| 217.06 | 125 | 180 | 75 |
| 128.04 | 119 | 269 | 71 |
| 121.13 | 115 | 276 | 69 |
| 329.25 | 113 | 68 | 68 |
| 211.20 | 107 | 186 | 64 |
| 163.27 | 99 | 234 | 59 |
| 181.09 | 98 | 216 | 59 |
| 281.46 | 91 | 116 | 54 |
| 241.37 | 87 | 156 | 52 |
| 177.15 | 85 | 220 | 51 |
FlavonoidSearch結果
| Score | Symbolized Name | MSMS-Category | MSMS-Aglycone |
|---|---|---|---|
| 0.077 | [2'-Hydroxychalcone]-A(1OH, 1([2,3:@@]-(6,6-Dimethylpyrano)))-B(3OMe) | 2'-Hydroxychalcone | Glabrachalcone |
| 0.077 | [2'-Hydroxychalcone]-A(1OH, 1OMe, 1([2,3:@@]-(6,6-Dimethylpyrano)))-B(2OMe) | 2'-Hydroxychalcone | Ponganone VI |
| 0.077 | [2'-Hydroxychalcone]-A(1OH, 1OMe, 1([2,3:@@]-(6,6-Dimethylpyrano)))-B(2OMe) | 2'-Hydroxychalcone | Glychalcone B |
| 0.077 | [2'-Hydroxychalcone]-A(1OH, 1OMe, 1([2,3:@@]-(6,6-Dimethylpyrano)))-B(2OMe) | 2'-Hydroxychalcone | 6'',6''-Dimethylpyrano[2'',3'':6',5']-2'-hydroxy-3,4,4'-trimethoxychalcone |
| 0.074 | [Flavanone]-A(1OMe, 1([2,3:@@]-(6,6-Dimethylpyrano)))-B(2OMe) | Flavanone | Ponganone IV |
| 0.074 | [Flavanone]-A(1OMe, 1([2,3:@@]-(6,6-Dimethylpyrano)))-B(2OMe) | Flavanone | Glyflavanone B |
| 0.056 | [Isoflavone]-A(1OH, 1([2,3:@@]-(6,6-Dimethylpyrano)))-B(1OH, 2OMe) | Isoflavone | Elongatin |
| 0.054 | [Isoflavone]-A(1OH, 1([2,3:@@]-(6,6-Dimethylpyrano)))-B(1OH, 2OMe) | Isoflavone | Pumilaisoflavone D |
| 0.000 | [Flavone]-A(1OH, 1([2,3:@@]-(6,6-Dimethylpyrano)))-B(1OH, 2OMe) | Flavone | 5-Hydroxy-8-(4-hydroxy-3,5-dimethoxyphenyl)-2,2-dimethyl-2H,6H-benzo[1,2-b:5,4-b']dipyran-6-one |
| 0.000 | [2'-Hydroxychalcone]-A(1OH, 2OMe, 1(C-Prenyl))-B(1([@@]-Methylenedioxy)) | 2'-Hydroxychalcone | Ovalichalcone A |
| 0.000 | [beta-Hydroxy(or Oxodihydro)chalcone]-A(2OMe, 1(C-Prenyl))-B(1([@@]-Methylenedioxy)) | beta-Hydroxy(or Oxodihydro)chalcone | Pongagallone B |
| 0.000 | [Flavone]-A(1OH, 1OMe, 1(C-Prenyl))-B(2OH, 2Methyl) | Flavone | Muxiangrin III |
| 0.000 | [CCS-type derivative / [2',3]-Isopropenylethanoflavone]-A(1OH, 1OMe)-B(2OH, 1OMe) | CCS-type derivative / [2',3]-Isopropenylethanoflavone | Artoindonesianin S |
| 0.000 | [CCS-type derivative / [2,2a,5:3',2',3]-7,7-Dimethyltetrahydroisobenzofuranoflavone]-A(1OH, 1OMe)-B(1OH, 1OMe) | CCS-type derivative / [2,2a,5:3',2',3]-7,7-Dimethyltetrahydroisobenzofuranoflavone | Artonin L |
| 0.000 | [Flavonol (3-OMe)]-A(1OH, 1([2,3:@@]-(5-Isopropenyldihydrofurano)))-B(1OH, 1OMe) | Flavonol | Velloquercetin 3,3'-dimethyl ether |
| 0.000 | [Flavonol (3-OMe)]-A(1OH, 1Methyl, 1([2,3:@@]-(5-Isopropenyldihydrofurano)))-B(2OH) | Flavonol | 8-C-Methylvelloquercetin 3-methyl ether |
| 0.000 | [Flavonol (3-OMe)]-A(2OMe, 1([2,3:@@]-Furano))-B(1([@@]-Methylenedioxy)) | Flavonol | 3,5,6-Trimethoxy-3',4'-methylene-dioxyfurano[2,3:7,8]flavone |
| 0.000 | [Isoflavone]-A(1OH, 1([2,3:@@]-(5-Isopropenyldihydrofurano)))-B(1OH, 2OMe) | Isoflavone | 5,4'-Dihydroxy-3',5'-dimethoxy-(5''-Isopropenyldihydrofurano)[2'',3'':7,6]isoflavone |
| 0.000 | [Pterocarpan]-A(2OMe, 1(C-Prenyl))-B(1([@@]-Methylenedioxy)) | Pterocarpan | Neoraucarpan |
| 0.000 | [Rotenone]-A(1([2,3:@@]-(5-(1-Hydroxymethylvinyl)dihydrofurano)))-B(1OH, 1OMe) | Rotenone | 3-O-Demethylamorphigenin |
| 0.000 | [Rotenone]-A(1OH, 1(C-Prenyl))-B(2OMe) | Rotenone | Rotenonic acid |
| 0.000 | [4-Benzoylchroman]-A(2OMe)-B(1OH, 1([2,3:@@]-(5-Isopropenyldihydrofurano))) | 4-Benzoylchroman | Rotenol |