Ojima:KOX00339n

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All Molecules KOX PR PBX COX

Ion Frequency

Prec.-Product

Neutral Loss

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Homovanillate

IDs and Links
MassBank	Homovanillate
CAS	306-08-1
Keio ID	H059-

Top 10 Similar Molecules of Homovanillate

Ranking	About scoring
M115+ Score:6.64 B026+ Score:5.94 B009+ Score:5.94 X004+ Score:5.94 T032+ Score:5.54 M169+ Score:5.54 E013+ Score:5.54 D185+ Score:5.54 D046+ Score:5.54	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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Page list for each fragment
Pages Related to Peak C8H9O2:   D046+  D185+  E013+  M169+  T032+   Pages Related to Peak C7H5O:   X004+  B009+  B026+   Pages Related to Peak C4H3O:   M115+

Annotations

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。

KOX00339n	181 C9H9O4	166 C8H6O4	137 C8H9O2	122 C7H6O2	105 C7H5O	67 C4H3O	59 C2H3O2	45 CHO2
181 C9H9O4
166 C8H6O4	CH3
137 C8H9O2	CO2
122 C7H6O2	C2H3O2	CO2	CH3
105 C7H5O	C2H4O3	CHO3	CH4O	HO
67 C4H3O	C5H6O3	C4H3O3	C4H6O	C3H3O	C3H2
59 C2H3O2	C7H6O2	C6H3O2	C6H6	C5H3
45 CHO2	C8H8O2	C7H5O2	C7H8	C6H5			CH2

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