Ojima:PR100177p

General Index

All Molecules KOX PR PBX COX

Ion Frequency

Prec.-Product

Neutral Loss

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Mecamylamine

IDs and Links
MassBank	Mecamylamine
CAS	60-40-2
Keio ID

Top 10 Similar Molecules of Mecamylamine

Ranking	About scoring
M039+ Score:27.83 D078+ Score:14.56 G075+ Score:11.1 F016+ Score:9.18 A061+ Score:8.84 E013+ Score:5.38 C040+ Score:5.38 V021+ Score:3.45 T061+ Score:3.45 T024+ Score:3.45	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 C11H22N:   M039+   Pages Related to Peak C10H17:   M039+   Pages Related to Peak C7H11:   G075+  D078+  F016+  M039+   Pages Related to Peak C6H9:   C040+  G075+  A061+  D078+  E013+  M039+   Pages Related to Peak C5H7:   A018+  A050+  A053+  A122+  A127+  A174+  B020+  C119+  D055+  G062+  G065+  H064+  H073+  L004+  M035+  N014+  P014+  P032+  P048+  P055+  Z002+  A061+  A068+  A080+  A170+  C032+  C043+  C114+  D075+  D078+  F016+  G021+  H045+  I063+  K005+  L027+  L031+  M033+  M039+  M169+  O007+  P034+  P054+  S040+  T024+  T061+  V021+

Annotations

Precursor	Product	Comments
(0)	(0)	KOX00784

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。

PR100177p	168 C11H22N	137 C10H17	95 C7H11	81 C6H9	67 C5H7
168 C11H22N
137 C10H17	CH5N
95 C7H11	C4H11N	C3H6
81 C6H9	C5H13N	C4H8	CH2
67 C5H7	C6H15N	C5H10	C2H4	CH2

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