Ojima:KOX00758p

General Index

All Molecules KOX PR PBX COX

Ion Frequency

Prec.-Product

Neutral Loss

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Isoamylamine

IDs and Links
MassBank	Isoamylamine
CAS	107-85-7
Keio ID	I039+

Top 10 Similar Molecules of Isoamylamine

Ranking	About scoring
I039+ Score:16.14 P042+ Score:6.23 I064+ Score:6.23 O007+ Score:6.23 D030+ Score:3.27 V020+ Score:3.27 S003+ Score:3.27 P206+ Score:3.27 P054+ Score:3.27 P035+ Score:3.27	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 C5H14N:   I039+   Pages Related to Peak C5H11:   I039+  O007+   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 C3H5:   I064+  P042+

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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。

KOX00758p	88 C5H14N	71 C5H11	55 C4H7	43 C3H7	41 C3H5	39 C3H3
88 C5H14N
71 C5H11	H3N
55 C4H7	CH7N	CH4
43 C3H7	C2H7N	C2H4	C
41 C3H5	C2H9N	C2H6	CH2	H2
39 C3H3	C2H11N	C2H8	CH4	H4	H2

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