Ojima:KOX00522n

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All Molecules KOX PR PBX COX

Ion Frequency

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3-(2-Hydroxyphenyl)propionate

IDs and Links
MassBank	3-(2-Hydroxyphenyl)propionate
CAS	495-78-3
Keio ID	P072-

Top 10 Similar Molecules of 3-(2-Hydroxyphenyl)propionate

Ranking	About scoring
T002+ Score:10.79 L007+ Score:10.79 T008+ Score:5.53 S040+ Score:5.53 E007+ Score:5.53 A080+ Score:5.53 P075+ Score:5.53 S041+ Score:5.02 P079+ Score:5.02 N063+ 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 C8H9O:   P075+  A080+  E007+  S040+  T008+   Pages Related to Peak C8H7O:   D046+  E033+  L007+  T002+  A137+  A226+  D185+  E013+  P070+  Q001+  S058+  T032+  T041+  T044+  V021+   Pages Related to Peak C6H5O:   D128+  H027+  T003+  A114+  C047+  K005+  N063+  P079+  S041+

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。

KOX00522n	165 C9H9O3	121 C8H9O	119 C8H7O	106 C7H6O	93 C6H5O
165 C9H9O3
121 C8H9O	CO2
119 C8H7O	CH2O2	H2
106 C7H6O	C2H3O2	CH3	CH
93 C6H5O	C3H4O2	C2H4	C2H2	CH

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