Ojima:PR100517n

General Index

All Molecules KOX PR PBX COX

Ion Frequency

Prec.-Product

Neutral Loss

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Harmaline

IDs and Links
MassBank	Harmaline
CAS	304-21-2
Keio ID

Top 10 Similar Molecules of Harmaline

Ranking	About scoring
T054+ Score:5.72 T003+ Score:5.72 P122+ Score:5.72 C057+ 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 C11H8NO:   C057+  P122+  T003+  T054+

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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。

PR100517n	213 C13H13N2O	198 C12H10N2O	197 C12H9N2O	182 C11H6N2O	170 C11H8NO
213 C13H13N2O
198 C12H10N2O	CH3
197 C12H9N2O	CH4	H
182 C11H6N2O	C2H7	CH4	CH3
170 C11H8NO	C2H5N	CH2N	CHN

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