Ojima:KOX00898n

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All Molecules KOX PR PBX COX

Ion Frequency

Prec.-Product

Neutral Loss

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3,4-Dihydroxyphenylacetate

IDs and Links
MassBank	3,4-Dihydroxyphenylacetate
CAS	102-32-9
Keio ID	D003-

Top 10 Similar Molecules of 3,4-Dihydroxyphenylacetate

Ranking	About scoring
G062+ Score:12.46 A018+ Score:12.46 N028+ Score:5.54 M169+ Score:5.54 T002+ Score:5.54 P113+ Score:5.54 E033+ 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。

Links

Page list for each fragment
Pages Related to Peak C8H7O4:   A018+  G062+   Pages Related to Peak C7H7O2:   E033+  P113+  T002+  M169+  N028+   Pages Related to Peak C7H5O2:   A018+  G062+

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。

KOX00898n	167 C8H7O4	123 C7H7O2	121 C7H5O2	83 C4H3O2	69 C3HO2	59 C2H3O2	45 CHO2
167 C8H7O4
123 C7H7O2	CO2
121 C7H5O2	CH2O2	H2
83 C4H3O2	C4H4O2	C3H4	C3H2
69 C3HO2	C5H6O2	C4H6	C4H4	CH2
59 C2H3O2	C6H4O2	C5H4	C5H2	C2
45 CHO2	C7H6O2	C6H6	C6H4	C3H2	C2	CH2

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