Ojima:KOX00212n

General Index

All Molecules KOX PR PBX COX

Ion Frequency

Prec.-Product

Neutral Loss

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Diclofenac

IDs and Links
MassBank	Diclofenac
CAS	15307-86-5
Keio ID	D128-

Top 10 Similar Molecules of Diclofenac

Ranking	About scoring
D128+ Score:19.51 M115+ Score:6.63 M142+ Score:6.23	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 C13H10Cl2N:   D128+   Pages Related to Peak C13H9ClN:   D128+  M142+   Pages Related to Peak C13H8N:   D128+   Pages Related to Peak C4H4O:   M115+

Annotations

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。

./lua: /tmp/mw_ex_lua_7ZVRku:33: attempt to compare number with nil

KOX00212n	294 C14H10Cl2NO2	250 C13H10Cl2N	214 C13H9ClN	178 C13H8N	125 C6H4ClN	68 C4H4O	12 Cl
294 C14H10Cl2NO2
250 C13H10Cl2N	CO2
214 C13H9ClN	CHClO2	HCl
178 C13H8N	CH2Cl2O2	H2Cl2	HCl
125 C6H4ClN	C8H6ClO2	C7H6Cl	C7H5
68 C4H4O	C10H6Cl2NO
12 Cl (pos/neg)<<First Page   (pos/neg)<Previous Page Next Page>(pos/neg)   Last Page>>(pos/neg)