Ojima:PR100373p

General Index

All Molecules KOX PR PBX COX

Ion Frequency

Prec.-Product

Neutral Loss

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Hinokitiol

IDs and Links
MassBank	Hinokitiol
CAS	499-44-5
Keio ID

Top 10 Similar Molecules of Hinokitiol

[show] Ranking	About scoring
G075+ Score:6.63 V021+ Score:6.23 T041+ Score:6.23 M011+ Score:5.94 S049+ Score:5.94 I015+ Score:5.94	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

[show] Page list for each fragment
Pages Related to Peak C10H13O2:   T041+  V021+   Pages Related to Peak C9H11:   G075+   Pages Related to Peak C6H7O2:   I015+  S049+  M011+

Annotations

Precursor-Product Relationship

[show] 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。

[hide] PR100373p	165 C10H13O2	147 C10H11O	119 C9H11	111 C6H7O2
165 C10H13O2
147 C10H11O	H2O
119 C9H11	CH2O2	CO
111 C6H7O2	C4H6

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