MassBank:KOX00229p

General Index

All Molecules KOX PR PBX COX

Ion Frequency

Prec.-Product

Neutral Loss

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Ectoine

IDs and Links
MassBank	Ectoine
CAS
Keio ID	E011+

Top 10 Similar Molecules of Ectoine

Ranking	About scoring
KOX00793p Score:15.85 KOX00308p Score:15.85 KOX00791p Score:12.86 KOX00750p Score:12.86 KOX00086p Score:12.86 KOX00911p Score:11.51 KOX00749p Score:11.35 KOX00313p Score:11.35 KOX00136p Score:11.35 KOX00062p Score:11.35	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
C6H11N2O2 (143)	C6H8NO2 (126)	f
C6H11N2O2 (143)	C5H9N2 (97)	a
C6H11N2O2 (143)	C4H7N2 (83)	e
C6H11N2O2 (143)	C4H6N (68)	c
C6H11N2O2 (143)	C3H6N (56)	x

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。

KOX00229p	143 C6H11N2O2	126 C6H8NO2	97 C5H9N2	83 C4H7N2	68 C4H6N	56 C3H6N
143 C6H11N2O2
126 C6H8NO2	H3N
97 C5H9N2	CH2O2
83 C4H7N2	C2H4O2		CH2
68 C4H6N	C2H5NO2	C2H2O2	CH3N	HN
56 C3H6N	C3H5NO2	C3H2O2	C2H3N	CHN	C

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