MassBank:KOX00487p

General Index

All Molecules KOX PR PBX COX

Ion Frequency

Prec.-Product

Neutral Loss

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IDs and Links
MassBank	Pro
CAS	147-85-3
Keio ID	P003+

Top 10 Similar Molecules of Pro

Ranking	About scoring
KOX00138p Score:16.57 KOX00474p Score:12.54 KOX00848p Score:8.67 KOX00818p Score:8.67 KOX00676p Score:8.67 KOX00635p Score:8.67 KOX00478p Score:8.67 KOX00440p Score:8.67 KOX00064p Score:8.67 KOX00029p Score:8.67	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
C5H10NO2 (116)	C4H8N (70)	a
C5H10NO2 (116)	C4H6N (68)	a

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。

KOX00487p	116 C5H10NO2	70 C4H8N	68 C4H6N	53 C4H5
116 C5H10NO2
70 C4H8N	CH2O2
68 C4H6N	CH4O2	H2
53 C4H5	CH5NO2	H3N	HN

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