Ojima:KOX00527n

General Index

All Molecules KOX PR PBX COX

Ion Frequency

Prec.-Product

Neutral Loss

Help

150px
Phthalate

IDs and Links
MassBank	Phthalate
CAS	88-99-3
Keio ID	P080-

Top 10 Similar Molecules of Phthalate

Ranking	About scoring
G062+ Score:6.23 A018+ Score:6.23 N044+ Score:2.65 A155+ Score:2.65 D030+ Score:2.65 T126+ Score:2.65 T060+ Score:2.65 T032+ Score:2.65 T031+ Score:2.65 T030+ Score:2.65	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。

KOX00527n	165 C8H5O4	121 C7H5O2	77 C6H5	45 CHO2
165 C8H5O4
121 C7H5O2	CO2
77 C6H5	C2O4	CO2
45 CHO2	C7H4O2	C6H4

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

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