Ojima:KOX00206n

General Index

All Molecules KOX PR PBX COX

Ion Frequency

Prec.-Product

Neutral Loss

Help

150px
3,4-Dihydroxymandelate

IDs and Links
MassBank	3,4-Dihydroxymandelate
CAS	775-01-9
Keio ID	D066-

Top 10 Similar Molecules of 3,4-Dihydroxymandelate

Ranking	About scoring
N028+ Score:5.94 F008+ Score:5.94 A191+ 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

Page list for each fragment
Pages Related to Peak C6H5O2:   A191+  F008+  N028+

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。

KOX00206n	183 C8H7O5	139 C7H7O3	137 C7H5O3	109 C6H5O2	108 C6H4O2	92 C6H4O	59 C2H3O2	45 CHO2
183 C8H7O5
139 C7H7O3	CO2
137 C7H5O3	CH2O2	H2
109 C6H5O2	C2H2O3	CH2O	CO
108 C6H4O2	C2H3O3	CH3O	CHO	H
92 C6H4O	C2H3O4	CH3O2	CHO2	HO	O
59 C2H3O2	C6H4O3	C5H4O	C5H2O	C4H2	C4H
45 CHO2	C7H6O3	C6H6O	C6H4O	C5H4	C5H3		CH2

(pos/neg)<<First Page   (pos/neg)<Previous Page

Next Page>(pos/neg)   Last Page>>(pos/neg)