MassBank:KOX00167p

General Index

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
KOX00225p Score:11.17 KOX00729p Score:10.98 KOX00702p Score:10.98 KOX00593p Score:10.98 KOX00454p Score:10.98 KOX00406p Score:10.98 KOX00268p Score:10.98 KOX00254p Score:10.98 KOX00051p Score:10.98 KOX00499p Score:8.11	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
C5H13N4O3 (177)	C5H10N3O3 (160)	-NH3
C5H13N4O3 (177)	C5H11N4O2 (159)	g
C5H13N4O3 (177)	C4H11N4O (131)	f
C5H13N4O3 (177)	C4H8NO3 (118)	a,-NH3
C5H13N4O3 (177)	C4H8NO2 (102)	b,-H2O
C5H13N4O3 (177)	CH6N3O (76)	c
C5H13N4O3 (177)	C2H4NO2 (74)	e
C5H13N4O3 (177)	CH4N3 (58)	h
C4H8NO3 (118)	C3H6NO (72)	IT
CH6N3O (76)	CH4N3 (58)	IT

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。

KOX00167p	177 C5H13N4O3	160 C5H10N3O3	159 C5H11N4O2	131 C4H11N4O	118 C4H8NO3	102 C4H8NO2	76 CH6N3O	74 C2H4NO2	72 C3H6NO	58 CH4N3	56 C3H6N
177 C5H13N4O3
160 C5H10N3O3	H3N
159 C5H11N4O2	H2O
131 C4H11N4O	CH2O2		CO
118 C4H8NO3	CH5N3	CH2N2
102 C4H8NO2	CH5N3O	CH2N2O	CH3N3		O
76 CH6N3O	C4H7NO2	C4H4O2	C4H5NO	C3H5N
74 C2H4NO2	C3H9N3O	C3H6N2O	C3H7N3		C2H4O	C2H4
72 C3H6NO	C2H7N3O2	C2H4N2O2	C2H5N3O	CH5N3	CH2O2	CH2O
58 CH4N3	C4H9NO3	C4H6O3	C4H7NO2	C3H7NO			H2O
56 C3H6N	C2H7N3O3	C2H4N2O3	C2H5N3O2	CH5N3O	CH2O3	CH2O2			O

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