Ojima:KOX00691p

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All Molecules KOX PR PBX COX

Ion Frequency

Prec.-Product

Neutral Loss

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Cyclohexylamine

IDs and Links
MassBank	Cyclohexylamine
CAS	108-91-8
Keio ID	C114+

Top 10 Similar Molecules of Cyclohexylamine

Ranking	About scoring
C114+ Score:18.54 A196+ Score:14.71 B090+ Score:8.99 S013+ Score:8.99 M039+ Score:7.1 H097+ Score:7.1 G021+ Score:7.1 B010+ Score:7.1 A135+ Score:7.1 P190+ Score:5.72	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 C6H14N:   A196+  C114+  M099+  P190+   Pages Related to Peak C6H11:   A196+  S013+  B090+  C114+   Pages Related to Peak C4H7:   A053+  A135+  A189+  A196+  B020+  E015+  G003+  G032+  G050+  H064+  H073+  I015+  I022+  L003+  L004+  M035+  M078+  N009+  N018+  O009+  P048+  S013+  V001+  Z002+  A051+  A061+  A112+  A203+  A225+  B001+  B010+  B026+  B090+  C114+  D078+  D082+  D183+  E008+  F016+  G021+  H097+  I039+  I063+  L027+  L031+  L057+  M011+  M039+  M110+  M115+  O005+  P035+  P054+  P206+  S003+  V020+  D030+   Pages Related to Peak C4H5:   A010+  A042+  A135+  B019+  C013+  F008+  F014+  G065+  G101+  M037+  N004+  O003+  P003+  P014+  B010+  C114+  D178+  D180+  G021+  H097+  I017+  I051+  M013+  M039+  M063+  N001+  N016+  N067+  P041+  P183+  S016+  N044+

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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。

KOX00691p	100 C6H14N	83 C6H11	55 C4H7	53 C4H5	39 C3H3
100 C6H14N
83 C6H11	H3N
55 C4H7	C2H7N	C2H4
53 C4H5	C2H9N	C2H6	H2
39 C3H3	C3H11N	C3H8	CH4	CH2

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