MassBank: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
KOX00197p Score:20.08 KOX00174p Score:20.08 KOX00145p Score:20.08 KOX00876p Score:8.42 KOX00780p Score:8.42 KOX00721p Score:8.42 KOX00429p Score:8.42 KOX00427p Score:8.42 KOX00315p Score:8.42 KOX00111p Score:8.42	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:   KOX00086p   Pages Related to Peak C4H6N3O:   KOX00145p  KOX00174p  KOX00197p   Pages Related to Peak C4H3N2O:   KOX00145p  KOX00174p  KOX00197p  KOX00893p   Pages Related to Peak C4H4N3:   KOX00004p  KOX00054p  KOX00111p  KOX00145p  KOX00174p  KOX00197p  KOX00245p  KOX00315p  KOX00420p  KOX00427p  KOX00429p  KOX00435p  KOX00443p  KOX00451p  KOX00526p  KOX00633p  KOX00707p  KOX00708p  KOX00711p  KOX00721p  KOX00780p  KOX00787p  KOX00799p  KOX00829p  KOX00841p  KOX00876p   Pages Related to Peak C3H5N2:   KOX00077p  KOX00111p  KOX00145p  KOX00174p  KOX00197p  KOX00315p  KOX00427p  KOX00429p  KOX00596p  KOX00684p  KOX00721p  KOX00746p  KOX00759p  KOX00780p  KOX00843p  KOX00845p  KOX00876p  KOX00891p

Annotations

Precursor	Product	Comments
C9H14N3O3 (212)	C4H6N3O (112)	a
C9H14N3O3 (212)	C3H5N2 (69)	c

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
212 C9H14N3O3
112 C4H6N3O	C5H8O2
95 C4H3N2O	C5H11NO2	H3N
94 C4H4N3	C5H10O3	H2O
69 C3H5N2	C6H9NO3	CHNO

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