Ojima:HC100443p

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
P209+ Score:6.63 P071+ Score:6.63 M156+ Score:6.63 B093+ Score:6.63	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 C19H19N2O2:   P209+   Pages Related to Peak C17H14NO2:   P071+   Pages Related to Peak C15H12NO:   M156+   Pages Related to Peak C12H10NO:   B093+

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。

HC100443p	335 C21H23N2O2	307 C19H19N2O2	264 C17H14NO2	222 C15H12NO	184 C12H10NO
335 C21H23N2O2
307 C19H19N2O2	C2H4
264 C17H14NO2	C4H9N	C2H5N
222 C15H12NO	C6H11NO	C4H7NO	C2H2O
184 C12H10NO	C9H13NO	C7H9NO	C5H4O	C3H2

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