Ojima:KOX00282n

General Index

All Molecules KOX PR PBX COX

Ion Frequency

Prec.-Product

Neutral Loss

Help

150px
Gallate

IDs and Links
MassBank	Gallate
CAS	149-91-7
Keio ID	G049-

Top 10 Similar Molecules of Gallate

Ranking	About scoring
N044+ Score:3.04 D030+ Score:3.04 T060+ Score:3.04 T031+ Score:3.04 T008+ Score:3.04 S058+ Score:3.04 S041+ Score:3.04 Q008+ Score:3.04 Q001+ Score:3.04 P099+ Score:3.04	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

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。

KOX00282n	169 C7H5O5	125 C6H5O3	124 C6H4O3	79 C5H3O	51 C4H3	45 CHO2
169 C7H5O5
125 C6H5O3	CO2
124 C6H4O3	CHO2	H
79 C5H3O	C2H2O4	CH2O2	CHO2
51 C4H3	C3H2O5	C2H2O3	C2HO3	CO
45 CHO2	C6H4O3	C5H4O	C5H3O

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

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