Ojima:KOX00630n

General Index

All Molecules KOX PR PBX COX

Ion Frequency

Prec.-Product

Neutral Loss

Help

150px
Zalcitabine

IDs and Links
MassBank	Zalcitabine
CAS	7481-89-2
Keio ID	Z001-

Top 10 Similar Molecules of Zalcitabine

Ranking	About scoring
G043+ Score:6.63 C012+ Score:6.23 A039+ Score:6.23 M077+ Score:5.25 H069+ Score:5.25 D183+ Score:5.25 G101+ Score:5.25 D166+ Score:5.25 B072+ Score:5.25 A042+ Score:5.25	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 C9H12N3O3:   A039+  C012+   Pages Related to Peak C8H11N2O2:   G043+   Pages Related to Peak C6H7N2:   A042+  B072+  D166+  G101+  D183+  H069+  M077+   Pages Related to Peak C3H3N2:   A007+  A071+  A136+  A237+  C119+  D055+  F014+  H014+  M035+  M042+  M043+  M054+  M074+  M104+  Z002+  C028+  D067+  D069+  D082+  M030+  M110+  M124+  P049+  P081+  T027+

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。

KOX00630n	210 C9H12N3O3	167 C8H11N2O2	107 C6H7N2	67 C3H3N2	59 C2H3O2	42 CNO
210 C9H12N3O3
167 C8H11N2O2	CHNO
107 C6H7N2	C3H5NO3	C2H4O2
67 C3H3N2	C6H9NO3	C5H8O2	C3H4
59 C2H3O2	C7H9N3O	C6H8N2
42 CNO	C8H12N2O2	C7H11NO

(pos/neg)<<First Page   (pos/neg)<Previous Page

Next Page>(pos/neg)   Last Page>>(pos/neg)