Ojima:KOX00673p

General Index

All Molecules KOX PR PBX COX

Ion Frequency

Prec.-Product

Neutral Loss

Help

Benzocaine

IDs and Links
MassBank	Benzocaine
CAS	94-09-7
Keio ID	B011+

Top 10 Similar Molecules of Benzocaine

Ranking	About scoring
B011+ Score:34.84 T060+ Score:29.12 P079+ Score:29.12 A043+ Score:29.12 A010+ Score:29.12 D166+ Score:19.56 E033+ Score:17.96 P014+ Score:17.65 K004+ Score:17.62 I019+ Score:16.99	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。

KOX00673p	166 C9H12NO2	138 C7H8NO2	120 C7H6NO	94 C6H8N	93 C6H7N	92 C6H6N	77 C6H5	65 C5H5	51 C4H3
166 C9H12NO2
138 C7H8NO2	C2H4
120 C7H6NO	C2H6O	H2O
94 C6H8N	C3H4O2	CO2
93 C6H7N	C3H5O2	CHO2		H
92 C6H6N	C3H6O2	CH2O2	CO	H2	H
77 C6H5	C3H7NO2	CH3NO2	CHNO	H3N	H2N	HN
65 C5H5	C4H7NO2	C2H3NO2	C2HNO	CH3N	CH2N	CHN	C
51 C4H3	C5H9NO2	C3H5NO2	C3H3NO	C2H5N	C2H4N	C2H3N	C2H2	CH2

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

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