Ojima:PR101041p

General Index

All Molecules KOX PR PBX COX

Ion Frequency

Prec.-Product

Neutral Loss

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Syringaldehyde

IDs and Links
MassBank	Syringaldehyde
CAS	134-96-3
Keio ID

Top 10 Similar Molecules of Syringaldehyde

Ranking	About scoring
T002+ Score:13.45 N028+ Score:8.2 M169+ Score:8.2 P113+ Score:8.2 E033+ Score:8.2 Q001+ Score:7.91 B013+ Score:7.91 P033+ Score:7.91 H139+ Score:7.91 P055+ Score:5.25	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。

PR101041p	183 C9H11O4	155 C8H11O3	140 C7H8O3	125 C6H5O3	123 C7H7O2	95 C6H7O	77 C6H5
183 C9H11O4
155 C8H11O3	CO
140 C7H8O3	C2H3O	CH3
125 C6H5O3	C3H6O	C2H6	CH3
123 C7H7O2	C2H4O2	CH4O	HO
95 C6H7O	C3H4O3	C2H4O2	CHO2		CO
77 C6H5	C3H6O4	C2H6O3	CH3O3	O3	CH2O2	H2O

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