Ojima:PR100541n

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All Molecules KOX PR PBX COX

Ion Frequency

Prec.-Product

Neutral Loss

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D-(+)-Malic acid

IDs and Links
MassBank	D-(+)-Malic acid
CAS	636-61-3
Keio ID

Top 10 Similar Molecules of D-(+)-Malic acid

Ranking	About scoring
E015+ Score:12.17 P028+ Score:6.23 D083+ Score:5.94 A059+ 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。

Links

Page list for each fragment
Pages Related to Peak C3H5O3:   E015+  P028+   Pages Related to Peak C3H3O2:   A059+  E015+  D083+

Annotations

Precursor	Product	Comments
(0)	(0)	KOX00404

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。

PR100541n	133 C4H5O5	115 C4H3O4	89 C3H5O3	73 C2HO3	71 C3H3O2
133 C4H5O5
115 C4H3O4	H2O
89 C3H5O3	CO2
73 C2HO3	C2H4O2	C2H2O	CH4
71 C3H3O2	CH2O3	CO2	H2O

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