Ojima:KO009117p

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

Ranking	About scoring
M047+ Score:26.55	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 C16H18N3S:   M047+   Pages Related to Peak C15H14N3S:   M047+   Pages Related to Peak C14H13N2S:   M047+   Pages Related to Peak C14H12N2S:   M047+

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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。

KO009117p	284 C16H18N3S	269 C15H15N3S	268 C15H14N3S	241 C14H13N2S	240 C14H12N2S
284 C16H18N3S
269 C15H15N3S	CH3
268 C15H14N3S	CH4	H
241 C14H13N2S	C2H5N	CH2N	CHN
240 C14H12N2S	C2H6N	CH3N	CH2N	H

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