MassBank:KOX00464p

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Ion Frequency

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Norvaline

IDs and Links
MassBank	Norvaline
CAS	6600-40-4
Keio ID	N009+

Top 10 Similar Molecules of Norvaline

Ranking	About scoring
KOX00623p Score:18.18 KOX00100p Score:18.18 KOX00079p Score:18.18 KOX00818p Score:12.64 KOX00343p Score:12.41 KOX00861p Score:10.99 KOX00762p Score:10.99 KOX00655p Score:10.99 KOX00681p Score:9.13 KOX00908p Score:7.7	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
C5H12NO2 (118)	C5H9O2 (101)	b
C5H12NO2 (118)	C4H10N (72)	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。

KOX00464p	118 C5H12NO2	101 C5H9O2	72 C4H10N	58 C3H8N	55 C4H7
118 C5H12NO2
101 C5H9O2	H3N
72 C4H10N	CH2O2
58 C3H8N	C2H4O2		CH2
55 C4H7	CH5NO2	CH2O2	H3N

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