MassBank:KOX00712p

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All Molecules KOX PR PBX COX

Ion Frequency

Prec.-Product

Neutral Loss

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Dimethyl malate

IDs and Links
MassBank	Dimethyl malate
CAS
Keio ID	D083+

Top 10 Similar Molecules of Dimethyl malate

Ranking	About scoring
KOX00048p Score:33.73 KOX00270p Score:16.53 KOX00794p Score:15.17 KOX00740p Score:15.17 KOX00739p Score:15.17 KOX00905p Score:15.04 KOX00447p Score:15.04 KOX00686p Score:9.79 KOX00004p Score:9.79 KOX00774p Score:9.32	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。

Links

Page list for each fragment

Pages Related to Peak C6H11O5:   KOX00447p  KOX00739p  KOX00740p  KOX00794p   Pages Related to Peak C5H7O4:   KOX00048p  KOX00270p   Pages Related to Peak C5H5O3:   KOX00048p  KOX00270p   Pages Related to Peak C4H7O3:   KOX00004p  KOX00048p  KOX00686p  KOX00905p   Pages Related to Peak C4H9O2:   KOX00343p  KOX00705p  KOX00730p  KOX00739p  KOX00740p  KOX00794p   Pages Related to Peak C4H5O2:   KOX00004p  KOX00022p  KOX00048p  KOX00225p  KOX00256p  KOX00259p  KOX00270p  KOX00272p  KOX00281p  KOX00288p  KOX00292p  KOX00440p  KOX00447p  KOX00518p  KOX00573p  KOX00659p  KOX00686p  KOX00702p  KOX00729p  KOX00739p  KOX00740p  KOX00774p  KOX00794p  KOX00795p  KOX00905p   Pages Related to Peak C3H3O2:   KOX00048p  KOX00233p   Pages Related to Peak C2H5O2:   KOX00018p  KOX00048p  KOX00447p  KOX00518p  KOX00573p  KOX00774p  KOX00905p

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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。

KOX00712p	163 C6H11O5	131 C5H7O4	113 C5H5O3	103 C4H7O3	89 C4H9O2	85 C4H5O2	71 C3H3O2	61 C2H5O2
163 C6H11O5
131 C5H7O4	CH4O
113 C5H5O3	CH6O2	H2O
103 C4H7O3	C2H4O2	CO
89 C4H9O2	C2H2O3
85 C4H5O2	C2H6O3	CH2O2	CO	H2O	H4
71 C3H3O2	C3H8O3	C2H4O2	C2H2O	CH4O	CH6	CH2
61 C2H5O2	C4H6O3	C3H2O2	C3O	C2H2O	C2H4	C2

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