Ojima:PBX00043p

General Index

All Molecules KOX PR PBX COX

Ion Frequency

Prec.-Product

Neutral Loss

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3-Formylindole

IDs and Links
MassBank	3-Formylindole
CAS
Keio ID

Top 10 Similar Molecules of 3-Formylindole

Ranking	About scoring
T003+ Score:20.76 N044+ Score:20.55 N016+ Score:20.55 H139+ Score:19.56 T031+ Score:18.09 M101+ Score:18.09 T054+ Score:18.09 I025+ Score:18.09 Q001+ Score:15.32 K004+ Score:15.32	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。

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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。

PBX00043p	146 C9H8NO	118 C8H8N	117 C8H7N	91 C7H7	90 C7H6	89 C7H5	65 C5H5
146 C9H8NO
118 C8H8N	CO
117 C8H7N	CHO	H
91 C7H7	C2HNO	CHN	CN
90 C7H6	C2H2NO	CH2N	CHN	H
89 C7H5	C2H3NO	CH3N	CH2N	H2	H
65 C5H5	C4H3NO	C3H3N	C3H2N	C2H2	C2H	C2

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