Ojima:KOX00851p

General Index

All Molecules KOX PR PBX COX

Ion Frequency

Prec.-Product

Neutral Loss

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Penciclovir

IDs and Links
MassBank	Penciclovir
CAS	39809-25-1
Keio ID	P157+

Top 10 Similar Molecules of Penciclovir

Ranking	About scoring
P157+ Score:46.73 G088+ Score:15.79 G015+ Score:15.79 D057+ Score:15.79 A071+ Score:15.79 X012+ Score:10.76 M042+ Score:5.02 H014+ Score:5.02 A136+ Score:5.02 A133+ Score:5.02	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 C10H16N5O3:   P157+   Pages Related to Peak C9H12N5O2:   P157+   Pages Related to Peak C9H15N4O:   P157+   Pages Related to Peak C5H6N5O:   A071+  D057+  G015+  G088+  P157+  X012+   Pages Related to Peak C5H3N4O:   A071+  D057+  G015+  G088+  P157+  X012+   Pages Related to Peak C4H4N3O:   A071+  A133+  A136+  D057+  G015+  G088+  H014+  M042+  P157+   Pages Related to Peak C2H5N2O:   P157+   Pages Related to Peak C4H9:   D128+  G020+  G117+  L016+  N018+  P113+  T112+  V001+  Z002+  B010+  D038+  D061+  F013+  G046+  O007+  P157+  T126+  I064+

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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。

KOX00851p	254 C10H16N5O3	222 C9H12N5O2	195 C9H15N4O	152 C5H6N5O	135 C5H3N4O	110 C4H4N3O	73 C2H5N2O	57 C4H9
254 C10H16N5O3
222 C9H12N5O2	CH4O
195 C9H15N4O	CHNO2
152 C5H6N5O	C5H10O2	C4H6O
135 C5H3N4O	C5H13NO2	C4H9NO	C4H12	H3N
110 C4H4N3O	C6H12N2O2	C5H8N2O	C5H11N	CH2N2
73 C2H5N2O	C8H11N3O2	C7H7N3O	C7H10N2	C3HN3
57 C4H9	C6H7N5O3	C5H3N5O2	C5H6N4O

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