Ojima:PR100283p

General Index

All Molecules KOX PR PBX COX

Ion Frequency

Prec.-Product

Neutral Loss

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D-beta-homophenylalanine

IDs and Links
MassBank	D-beta-homophenylalanine
CAS	145149-50-4
Keio ID

Top 10 Similar Molecules of D-beta-homophenylalanine

Ranking	About scoring
B018+ Score:16.55 P002+ Score:12.16 A067+ Score:12.16 T031+ Score:11.62 M167+ Score:11.62 M101+ Score:11.62 T054+ Score:11.62 M040+ Score:11.62 I025+ Score:11.62 E034+ Score:9.9	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 C10H14NO2:   F013+   Pages Related to Peak C10H9O:   P192+   Pages Related to Peak C8H10N:   A067+  B018+  E033+  P002+  Z003+  A068+  D087+  M111+  N016+  P206+   Pages Related to Peak C9H9:   E034+   Pages Related to Peak C9H7:   B018+  H027+  H029+  I025+  I030+  M040+  M053+  N018+  T003+  T054+  B013+  K005+  M101+  M103+  M167+  M169+  S041+  T031+   Pages Related to Peak C8H7:   A067+  B018+  I022+  I025+  I030+  I038+  M040+  M078+  P002+  T054+  A080+  A137+  D039+  D178+  D180+  E007+  G041+  H045+  I067+  M101+  M167+  N016+  P047+  Q008+  S040+  T008+  T030+  T031+   Pages Related to Peak C7H7:   A067+  B015+  B018+  B020+  C040+  D046+  E033+  E034+  H027+  H139+  I025+  M040+  M053+  M127+  N018+  P002+  P059+  S013+  T002+  T003+  T054+  Z003+  A061+  A068+  A080+  A137+  A226+  B013+  C172+  D039+  D087+  D122+  D185+  E013+  F016+  G041+  H045+  K004+  L031+  M071+  M101+  M103+  M167+  M169+  M172+  P061+  P070+  P206+  Q001+  S058+  T008+  T024+  T030+  T031+  T032+  T044+  D030+

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。

PR100283p	180 C10H14NO2	163 C10H11O2	145 C10H9O	120 C8H10N	117 C9H9	115 C9H7	103 C8H7	91 C7H7
180 C10H14NO2
163 C10H11O2	H3N
145 C10H9O	H5NO	H2O
120 C8H10N	C2H4O2
117 C9H9	CH5NO2	CH2O2	CO
115 C9H7	CH7NO2	CH4O2	CH2O		H2
103 C8H7	C2H7NO2	C2H4O2	C2H2O	H3N	CH2	C
91 C7H7	C3H7NO2	C3H4O2	C3H2O	CH3N	C2H2	C2	C

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