Ojima:KNA00071p

総索引

分子リスト KOX PR PBX COX

イオン統計

前駆-生成イオン統計

中性脱離分子統計

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IDs and Links
MassBank	[1]
CAS
Keio ID

Top 10 Similar Molecules of

Ranking	About scoring
A127+ Score:27.36 L004+ Score:15.18 A170+ Score:10.34 L027+ Score:10.05 P048+ Score:9.24 H073+ Score:9.24 A174+ Score:9.24 A050+ Score:9.24 C044+ Score:5.94 E005+ Score:5.94	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。

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Page list for each fragment

Pages Related to Peak C6H15N2O2:   A127+  L004+  C044+   Pages Related to Peak C6H12NO2:   A050+  A127+  A174+  D064+  H073+  L004+  P048+  D106+   Pages Related to Peak C6H13N2O:   A127+  E005+  L027+   Pages Related to Peak C5H13N2:   A127+  A170+   Pages Related to Peak C5H10N:   A050+  A127+  A174+  H064+  H073+  L004+  M035+  M159+  P048+  A068+  A069+  A111+  A112+  A143+  A170+  C043+  K004+  L027+  N016+  S003+  S011+  S044+  T122+  D030+

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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。

KNA00071p	147 C6H15N2O2	130 C6H12NO2	129 C6H13N2O	101 C5H13N2	84 C5H10N
147 C6H15N2O2
130 C6H12NO2	H3N
129 C6H13N2O	H2O
101 C5H13N2	CH2O2		CO
84 C5H10N	CH5NO2	CH2O2	CH3NO	H3N

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