Ojima:COX00095p

General Index

All Molecules KOX PR PBX COX

Ion Frequency

Prec.-Product

Neutral Loss

Help

Tetramisole

IDs and Links
MassBank	Tetramisole
CAS
Keio ID

Top 10 Similar Molecules of Tetramisole

Ranking	About scoring
D039+ Score:18.3 M167+ Score:17.53 T031+ Score:16.41 T030+ Score:16.41 M101+ Score:16.41 T054+ Score:16.41 P002+ Score:16.41 I025+ Score:16.41 M169+ Score:14.33 P047+ Score:14.26	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。

COX00095p	205 C11H13N2S	178 C10H12NS	123 C7H7S	118 C8H8N	105 C8H9	103 C8H7	91 C7H7	77 C6H5	65 C5H5
205 C11H13N2S
178 C10H12NS	CHN
123 C7H7S	C4H6N2	C3H5N
118 C8H8N	C3H5NS	C2H4S
105 C8H9	C3H4N2S	C2H3NS
103 C8H7	C3H6N2S	C2H5NS		HN	H2
91 C7H7	C4H6N2S	C3H5NS	S	CHN	CH2	C
77 C6H5	C5H8N2S	C4H7NS	CH2S	C2H3N	C2H4	C2H2	CH2
65 C5H5	C6H8N2S	C5H7NS	C2H2S	C3H3N	C3H4	C3H2	C2H2	C

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

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