Ojima:MT000053n

General Index

All Molecules KOX PR PBX COX

Ion Frequency

Prec.-Product

Neutral Loss

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IDs and Links
MassBank	[1]
CAS
Keio ID

Top 10 Similar Molecules of

[show] Ranking	About scoring
A007+ Score:11.19 G006+ Score:5.94 B090+ Score:5.94 A224+ Score:5.94 G018+ Score:5.94 F008+ Score:5.94 D067+ Score:5.25 C220+ Score:5.25 A194+ Score:5.25 A060+ Score:5.25	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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[show] Page list for each fragment
Pages Related to Peak C5H7O3:   A007+  G018+  G006+   Pages Related to Peak C5H5O2:   A007+  A133+  G020+  O015+  P075+  A020+  D067+   Pages Related to Peak C4H7O2:   A002+  A048+  F025+  G032+  A060+  A194+  C220+   Pages Related to Peak C4H7O:   F008+  A224+  B090+

Annotations

Precursor-Product Relationship

[show] 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。

[hide] MT000053n	115 C5H7O3	97 C5H5O2	87 C4H7O2	71 C4H7O
115 C5H7O3
97 C5H5O2	H2O
87 C4H7O2	CO
71 C4H7O	CO2		O

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