Ojima:PR100010p

General Index

All Molecules KOX PR PBX COX

Ion Frequency

Prec.-Product

Neutral Loss

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1,10-Phenanthroline

IDs and Links
MassBank	1,10-Phenanthroline
CAS	66-71-7
Keio ID

Top 10 Similar Molecules of 1,10-Phenanthroline

Ranking	About scoring
P057+ Score:27.54 Q001+ Score:8.88 T031+ Score:8.04 M101+ Score:8.04 N018+ Score:8.04 P192+ Score:5.38 E034+ Score:5.38 N044+ Score:2.65 A155+ Score:2.65 D030+ 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 C12H9N2:   P057+   Pages Related to Peak C11H8N:   P057+   Pages Related to Peak C10H7:   E034+  N018+  M101+  P057+  P192+  T031+   Pages Related to Peak C8H5:   P057+  Q001+   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。

PR100010p	181 C12H9N2	154 C11H8N	127 C10H7	101 C8H5	77 C6H5
181 C12H9N2
154 C11H8N	CHN
127 C10H7	C2H2N2	CHN
101 C8H5	C4H4N2	C3H3N	C2H2
77 C6H5	C6H4N2	C5H3N	C4H2	C2

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