Ojima:PBX00013p

General Index

All Molecules KOX PR PBX COX

Ion Frequency

Prec.-Product

Neutral Loss

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Sinapoylcholine

IDs and Links
MassBank	Sinapoylcholine
CAS
Keio ID

Top 10 Similar Molecules of Sinapoylcholine

Ranking	About scoring
T032+ Score:6.23 T002+ Score:6.23	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 C9H7O2:   T002+  T032+

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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。

PBX00013p	310 C16H24NO5	251 C13H15O5	207 C11H11O4	175 C10H7O3	147 C9H7O2
310 C16H24NO5
251 C13H15O5	C3H9N
207 C11H11O4	C5H13NO	C2H4O
175 C10H7O3	C6H17NO2	C3H8O2	CH4O
147 C9H7O2	C7H17NO3	C4H8O3	C2H4O2	CO

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