Ojima:PR100059p

General Index

All Molecules KOX PR PBX COX

Ion Frequency

Prec.-Product

Neutral Loss

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trans-Cinnamaldehyde

IDs and Links
MassBank	trans-Cinnamaldehyde
CAS	104-55-2
Keio ID

Top 10 Similar Molecules of trans-Cinnamaldehyde

Ranking	About scoring
M167+ Score:28.65 B018+ Score:19.99 M169+ Score:19.84 I025+ Score:19.04 D039+ Score:18.55 P047+ Score:15.28 D180+ Score:15.28 D178+ Score:15.28 T031+ Score:14.27 M101+ Score:14.27	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。

PR100059p	133 C9H9O	115 C9H7	105 C8H9	103 C8H7	91 C7H7	79 C6H7	77 C6H5	55 C3H3O
133 C9H9O
115 C9H7	H2O
105 C8H9	CO
103 C8H7	CH2O	C	H2
91 C7H7	C2H2O	C2	CH2	C
79 C6H7	C3H2O	C3	C2H2	C2	C
77 C6H5	C3H4O	C3H2	C2H4	C2H2	CH2	H2
55 C3H3O	C6H6

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