Ojima:KOX00336n

General Index

All Molecules KOX PR PBX COX

Ion Frequency

Prec.-Product

Neutral Loss

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4-Hydroxy-3-methoxymandelate

IDs and Links
MassBank	4-Hydroxy-3-methoxymandelate
CAS
Keio ID	H056-

Top 10 Similar Molecules of 4-Hydroxy-3-methoxymandelate

Ranking	About scoring
N028+ Score:6.64 G062+ Score:6.23 A018+ Score:6.23 G021+ Score:5.38 R041+ Score:5.38 F014+ Score:5.38 F008+ Score:5.38 D055+ Score:5.38 B019+ Score:5.38	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 C9H9O5:   A018+  G062+   Pages Related to Peak C8H9O3:   N028+   Pages Related to Peak C5H5O:   B019+  D055+  F008+  F014+  R041+  G021+

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。

KOX00336n	197 C9H9O5	153 C8H9O3	138 C7H6O3	137 C7H5O3	108 C6H4O2	92 C6H4O	81 C5H5O	45 CHO2
197 C9H9O5
153 C8H9O3	CO2
138 C7H6O3	C2H3O2	CH3
137 C7H5O3	C2H4O2	CH4	H
108 C6H4O2	C3H5O3	C2H5O	CH2O	CHO
92 C6H4O	C3H5O4	C2H5O2	CH2O2	CHO2	O
81 C5H5O	C4H4O4	C3H4O2	C2HO2	C2O2
45 CHO2	C8H8O3	C7H8O	C6H5O	C6H4O	C5H3

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