Ojima:KOX00631p

General Index

All Molecules KOX PR PBX COX

Ion Frequency

Prec.-Product

Neutral Loss

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Zalcitabine

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

Top 10 Similar Molecules of Zalcitabine

Ranking	About scoring
C033+ Score:26.22 Z001+ Score:25.82 D055+ Score:23.66 C119+ Score:23.66 T027+ Score:12.4 M030+ Score:12.4 M043+ Score:12.4 M042+ Score:12.4 H014+ Score:12.4 A237+ Score:12.4	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 C9H14N3O3:   A140+  Z001+   Pages Related to Peak C4H6N3O:   C033+  C119+  D055+  Z001+   Pages Related to Peak C4H3N2O:   C033+  C119+  D055+  Z001+  U006+   Pages Related to Peak C4H4N3:   A007+  A071+  A237+  C033+  C119+  D055+  F014+  H014+  M035+  M042+  M043+  M054+  M074+  M104+  P075+  Z001+  Z002+  D067+  D069+  D082+  D183+  M030+  M051+  M110+  P049+  P081+  T027+   Pages Related to Peak C3H5N2:   A133+  A237+  C033+  C119+  D055+  H014+  M042+  M043+  T029+  Z001+  C028+  D183+  H025+  I046+  M030+  P084+  P095+  T027+  T123+   Pages Related to Peak C3H2NO:   C033+   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+

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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。

KOX00631p	212 C9H14N3O3	112 C4H6N3O	95 C4H3N2O	94 C4H4N3	69 C3H5N2	68 C3H2NO	67 C3H3N2
212 C9H14N3O3
112 C4H6N3O	C5H8O2
95 C4H3N2O	C5H11NO2	H3N
94 C4H4N3	C5H10O3	H2O
69 C3H5N2	C6H9NO3	CHNO
68 C3H2NO	C6H12N2O2	CH4N2	CHN
67 C3H3N2	C6H11NO3	CH3NO	CO	CHN	H2

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