MassBank:TestData Bensulfuron-methyl

General Index

All Molecules KOX PR PBX COX

Ion Frequency

Prec.-Product

Neutral Loss

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IDs and Links
MassBank	Bensulfuron-methy
CAS
Keio ID

Top 10 Similar Molecules of

Ranking	About scoring
KOX00836p Score:5.72 KOX00658p Score:5.72 KOX00485p Score:5.72 KOX00313p Score:5.72 KOX00308p Score:5.72 KOX00136p Score:5.72 KOX00056p Score:5.72 KOX00053p Score:5.72	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 C6H10N3O2:   KOX00056p  KOX00136p  KOX00308p  KOX00313p   Pages Related to Peak C9H9O2:   KOX00053p  KOX00485p  KOX00658p  KOX00836p

Annotations

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。

TestData Bensulfuron-methyl	410 C16H18N4O7S	213 C9H9O4S	182 C7H8N3O3	156 C6H10N3O2	149 C9H9O2
410 C16H18N4O7S
213 C9H9O4S	C7H9N4O3
182 C7H8N3O3	C9H10NO4S
156 C6H10N3O2	C10H8NO5S
149 C9H9O2	C7H9N4O5S	O2S

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