Ojima:PR100049p

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All Molecules KOX PR PBX COX

Ion Frequency

Prec.-Product

Neutral Loss

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3-Indolylacetonitrile

IDs and Links
MassBank	3-Indolylacetonitrile
CAS	771-51-7
Keio ID

Top 10 Similar Molecules of 3-Indolylacetonitrile

Ranking	About scoring
I022+ Score:24.12 H027+ Score:18.4 N044+ Score:18.18 N016+ Score:18.18 M078+ Score:18.18 M037+ Score:14.16 T031+ Score:12.46 S041+ Score:12.46 M103+ Score:12.46 M101+ Score:12.46	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 C10H9N2:   H027+  I022+  M037+   Pages Related to Peak C9H8N:   E034+  H027+  I022+  I025+  I030+  I038+  M037+  M040+  M053+  M078+  T003+  T054+  A068+  G041+  I067+  M101+  M103+  M172+  N016+  Q008+  S041+  T031+  N044+   Pages Related to Peak C8H7N:   H027+  H139+  I022+  I025+  I030+  I038+  M040+  M078+  T003+  T054+  A035+  A068+  E007+  M101+  M103+  M172+  N016+  P057+  S041+  T031+  N044+   Pages Related to Peak C7H6:   I022+  M078+  N016+  N044+   Pages Related to Peak C7H5:   C063+  E033+  H027+  H029+  I022+  I025+  I030+  I038+  M037+  M040+  M053+  M078+  T003+  T054+  A035+  A036+  D178+  D180+  K005+  M101+  M103+  N016+  S041+  T031+  N044+

Annotations

Precursor	Product	Comments
(0)	(0)	KOX00374

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。

PR100049p	157 C10H9N2	130 C9H8N	117 C8H7N	90 C7H6	89 C7H5
157 C10H9N2
130 C9H8N	CHN
117 C8H7N	C2H2N	CH
90 C7H6	C3H3N2	C2H2N	CHN
89 C7H5	C3H4N2	C2H3N	CH2N	H

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