Ojima:KOX00128n

General Index

All Molecules KOX PR PBX COX

Ion Frequency

Prec.-Product

Neutral Loss

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Benzoylformate

IDs and Links
MassBank	Benzoylformate
CAS	611-73-4
Keio ID	B041-

Top 10 Similar Molecules of Benzoylformate

Ranking	About scoring
B026+ Score:8.6 B009+ Score:8.6 X004+ Score:8.6 L016+ Score:6.63 P028+ Score:6.23 E015+ Score:6.23 N044+ Score:2.65 A155+ Score:2.65 D030+ Score:2.65 T126+ Score:2.65	The similarity score between two molecules is defined as the sum of Shannon entropy of ionic formulas shared by the molecules: $\textstyle - \sum_{p\in shared} \log(\mbox{frequency}(p))$ 代謝物間の類似度スコアは、それらのスペクトルで共有される（アノテートされた）イオン式のシャノン情報量の総和です。

Links

Page list for each fragment

Pages Related to Peak C8H5O3:   L016+   Pages Related to Peak C7H5O:   X004+  B009+  B026+   Pages Related to Peak C3H5O3:   E015+  P028+   Pages Related to Peak C6H5:   A010+  A043+  A050+  A053+  A067+  A110+  A130+  B007+  B015+  B018+  B020+  D046+  D051+  D166+  E012+  E033+  H029+  H139+  I015+  I019+  I022+  I025+  I030+  I038+  M037+  M040+  M053+  M078+  M127+  N018+  P002+  P014+  P033+  P053+  P059+  P113+  S013+  T002+  T003+  T054+  T112+  X004+  A035+  A036+  A054+  A061+  A064+  A080+  B004+  B009+  B011+  B013+  B026+  C172+  D032+  D039+  D061+  D087+  D178+  D180+  D185+  E013+  F016+  G041+  H045+  I063+  I067+  K004+  K005+  L027+  L031+  M039+  M066+  M082+  M101+  M142+  M150+  M167+  M169+  M172+  N016+  N028+  N067+  O007+  P036+  P047+  P054+  P057+  P061+  P079+  Q001+  Q008+  S040+  S041+  S058+  T008+  T024+  T028+  T030+  T031+  T032+  T060+  T126+  D030+  A155+  N044+

Annotations

Precursor-Product Relationship

About the PP Table (行列表示について)
The matrix is viewed columnwise. The topmost precursor ion in bold face produces the product ions beneath it. Each formula in matrix cells corresponds to the neutral loss. Blackout cells indicate products that cannot be derived, and orange cells indicate a structurally plausible link produced by cleaving a single chemical bond (in cases of ring-opening, two bonds).	行列は列方向に見ます。最上段太字の前駆イオン(precursor ion)が直下の生成イオン群(product ions)になると解釈します。 行列要素に書かれている組成式はニュートラルロスです。黒は前駆イオンから生成しえない関係、オレンジは分子構造における共有結合1本の切断（開環の場合は2本）で生じる関係を意味します。

KOX00128n	149 C8H5O3	105 C7H5O	89 C3H5O3	77 C6H5	59 C2H3O2
149 C8H5O3
105 C7H5O	CO2
89 C3H5O3	C5
77 C6H5	C2O3	CO
59 C2H3O2	C6H2O		CH2O

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