MassBank:KOX00054p

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All Molecules KOX PR PBX COX

Ion Frequency

Prec.-Product

Neutral Loss

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Acyclovir

IDs and Links
MassBank	Acyclovir
CAS	59277-89-3
Keio ID	A071+

Top 10 Similar Molecules of Acyclovir

Ranking	About scoring
KOX00266p Score:20.1 KOX00427p Score:17.17 KOX00315p Score:17.17 KOX00851p Score:16.21 KOX00300p Score:16.21 KOX00201p Score:16.21 KOX00897p Score:14.97 KOX00081p Score:13.14 KOX00799p Score:12.04 KOX00780p Score:12.04	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。

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Annotations

Precursor	Product	Comments
C8H12N5O3 (226)	C5H6N5O (152)	a
C5H6N5O (152)	C5H3N4O (135)	IT

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。

KOX00054p	226 C8H12N5O3	152 C5H6N5O	135 C5H3N4O	110 C4H4N3O	94 C4H4N3	67 C3H3N2	55 C2H3N2
226 C8H12N5O3
152 C5H6N5O	C3H6O2
135 C5H3N4O	C3H9NO2	H3N
110 C4H4N3O	C4H8N2O2	CH2N2
94 C4H4N3	C4H8N2O3	CH2N2O		O
67 C3H3N2	C5H9N3O3	C2H3N3O	C2N2O	CHNO	CHN
55 C2H3N2	C6H9N3O3	C3H3N3O	C3N2O	C2HNO	C2HN	C

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