Ojima:KOX00166n

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All Molecules KOX PR PBX COX

Ion Frequency

Prec.-Product

Neutral Loss

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Canavanine

IDs and Links
MassBank	Canavanine
CAS	543-38-4
Keio ID	C094-

Top 10 Similar Molecules of Canavanine

Ranking	About scoring
D173+ Score:6.64 C094+ Score:6.64 B090+ Score:5.94 A224+ Score:5.94 F008+ Score:5.94	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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Page list for each fragment
Pages Related to Peak C4H8NO3:   C094+   Pages Related to Peak C4H6NO2:   D173+   Pages Related to Peak C4H7O:   F008+  A224+  B090+

Annotations

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。

KOX00166n	175 C5H11N4O3	129 C4H9N4O	118 C4H8NO3	115 C4H9N3O	100 C3H6N3O	100 C4H6NO2	74 CH4N3O	71 C4H7O	69 C3HO2	56 CH2N3
175 C5H11N4O3
129 C4H9N4O	CH2O2
118 C4H8NO3	CH3N3
115 C4H9N3O	CH2NO2	N
100 C3H6N3O	C2H5NO2	CH3N		CH3
100 C4H6NO2	CH5N3O		H2O
74 CH4N3O	C4H7NO2	C3H5N		C3H5	C2H2
71 C4H7O	CH4N4O2	H2N4	HNO2	H2N3
69 C3HO2	C2H10N4O		CH7NO			CH5N
56 CH2N3	C4H9NO3	C3H7NO		C3H7O	C2H4O		H2O

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