MassBank:KOX00476p

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All Molecules KOX PR PBX COX

Ion Frequency

Prec.-Product

Neutral Loss

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L-5-Oxoproline

IDs and Links
MassBank	L-5-Oxoproline
CAS	98-79-3
Keio ID	O008+

Top 10 Similar Molecules of L-5-Oxoproline

Ranking	About scoring
KOX00529p Score:20.6 KOX00733p Score:15.75 KOX00281p Score:15.75 KOX00270p Score:15.75 KOX00268p Score:15.75 KOX00259p Score:15.75 KOX00254p Score:15.75 KOX00225p Score:15.75 KOX00022p Score:15.75 KOX00905p Score:10.82	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
C5H8NO3 (130)	C4H8NO2 (102)	a
C5H8NO3 (130)	C4H6NO (84)	b
C5H8NO3 (130)	C3H3O (55)	d

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。

KOX00476p	130 C5H8NO3	102 C4H8NO2	84 C4H6NO	56 C3H6N	55 C3H3O
130 C5H8NO3
102 C4H8NO2	CO
84 C4H6NO	CH2O2	H2O
56 C3H6N	C2H2O3	CH2O2	CO
55 C3H3O	C2H5NO2	CH5NO	CH3N

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