Ojima:PBX00006p

General Index

All Molecules KOX PR PBX COX

Ion Frequency

Prec.-Product

Neutral Loss

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4-Hydroxybenzoylcholine

IDs and Links
MassBank	4-Hydroxybenzoylcholine
CAS
Keio ID

Top 10 Similar Molecules of 4-Hydroxybenzoylcholine

Ranking	About scoring
T002+ Score:9.1 S041+ Score:7.9 P079+ Score:7.9 C047+ Score:7.9 A114+ Score:7.9 L007+ Score:6.23 G062+ Score:6.23 A018+ Score:6.23 N063+ Score:5.02 K005+ Score:5.02	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 C9H9O3:   L007+  T002+   Pages Related to Peak C7H5O2:   A018+  G062+   Pages Related to Peak C6H5O:   D128+  H027+  T003+  A114+  C047+  K005+  N063+  P079+  S041+   Pages Related to Peak C5H5:   A010+  A042+  A043+  A050+  A130+  A220+  B007+  B015+  B072+  C040+  D046+  D057+  D166+  E012+  E033+  F034+  G101+  H029+  H139+  I019+  I025+  M003+  M037+  M127+  N012+  P002+  P014+  P053+  P059+  P113+  S013+  S079+  T002+  T054+  U011+  X004+  Z003+  A061+  A068+  A114+  B011+  B013+  C047+  C170+  C172+  D032+  D044+  D087+  D122+  D178+  D180+  D185+  E008+  E013+  K004+  M013+  M039+  M063+  M066+  M071+  M101+  M150+  M167+  M172+  N016+  N028+  P035+  P047+  P056+  P061+  P079+  P183+  P190+  Q001+  S016+  S041+  S058+  T008+  T028+  T030+  T031+  T032+  T044+  T060+  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。

PBX00006p	224 C12H18NO3	165 C9H9O3	121 C7H5O2	93 C6H5O	65 C5H5
224 C12H18NO3
165 C9H9O3	C3H9N
121 C7H5O2	C5H13NO	C2H4O
93 C6H5O	C6H13NO2	C3H4O2	CO
65 C5H5	C7H13NO3	C4H4O3	C2O2	CO

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