MassBank:KOX00818p

General Index

All Molecules KOX PR PBX COX

Ion Frequency

Prec.-Product

Neutral Loss

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D-Ornithine

IDs and Links
MassBank	D-Ornithine
CAS	348-66-3
Keio ID	O005+

Top 10 Similar Molecules of D-Ornithine

Ranking	About scoring
KOX00474p Score:30.28 KOX00024p Score:23.76 KOX00029p Score:18.51 KOX00848p Score:18.04 KOX00903p Score:16.22 KOX00676p Score:16.07 KOX00478p Score:16.07 KOX00138p Score:13.93 KOX00773p Score:12.78 KOX00623p Score:12.64	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
C5H13N2O2 (133)	C5H10NO2 (116)	-NH3
C5H13N2O2 (133)	C5H11N2O (115)	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。

KOX00818p	133 C5H13N2O2	116 C5H10NO2	115 C5H11N2O	101 C5H9O2	73 C4H9O	72 C4H10N	70 C4H8N	55 C4H7
133 C5H13N2O2
116 C5H10NO2	H3N
115 C5H11N2O	H2O
101 C5H9O2	H4N2	HN
73 C4H9O	CH4N2O	CHNO	CH2N2	CO
72 C4H10N	CH3NO2	CO2	CHNO
70 C4H8N	CH5NO2	CH2O2	CH3NO			H2
55 C4H7	CH6N2O2	CH3NO2	CH4N2O	CH2O2	H2O	H3N	HN

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