Ojima:KO009046p

General Index

All Molecules KOX PR PBX COX

Ion Frequency

Prec.-Product

Neutral Loss

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MassBank	[1]
CAS
Keio ID

Top 10 Similar Molecules of

[show] Ranking	About scoring
M142+ Score:42.59 D128+ Score:6.23 I025+ Score:5.94 C040+ Score:5.94 N044+ Score:3.86 T031+ Score:3.86 T030+ Score:3.86 T028+ Score:3.86 T008+ Score:3.86 S041+ Score:3.86	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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[show] Page list for each fragment

Pages Related to Peak C13H13Cl2N2:   M142+   Pages Related to Peak C13H12ClN2:   M142+   Pages Related to Peak C13H9ClN:   D128+  M142+   Pages Related to Peak C13H11N2:   M142+   Pages Related to Peak C12H10N:   C040+  I025+  M142+   Pages Related to Peak C7H7ClN:   M142+   Pages Related to Peak C7H6N:   E033+  H139+  I030+  I038+  M037+  P014+  P053+  T054+  X004+  A035+  A068+  A123+  B004+  D087+  K004+  M101+  M111+  M142+  M169+  M172+  N016+  N067+  P057+  P079+  Q008+  S041+  T008+  T028+  T030+  T031+  N044+

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Precursor-Product Relationship

[show] 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。

[hide] KO009046p	267 C13H13Cl2N2	231 C13H12ClN2	214 C13H9ClN	196 C13H12N2	195 C13H11N2	168 C12H10N	140 C7H7ClN	104 C7H6N
267 C13H13Cl2N2
231 C13H12ClN2	HCl
214 C13H9ClN	H4ClN	H3N
196 C13H12N2	HCl2	Cl
195 C13H11N2	H2Cl2	HCl		H
168 C12H10N	CH3Cl2N	CH2ClN		CH2N	CHN
140 C7H7ClN	C6H6ClN	C6H5N	C6H2
104 C7H6N	C6H7Cl2N	C6H6ClN	C6H3Cl	C6H6N	C6H5N	C5H4	HCl

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