MassBank:KOX00669p

General Index

All Molecules KOX PR PBX COX

Ion Frequency

Prec.-Product

Neutral Loss

Help

1,4-Butanediamine

IDs and Links
MassBank	1,4-Butanediamine
CAS	110-60-1
Keio ID	B001+

Top 10 Similar Molecules of 1,4-Butanediamine

Ranking	About scoring
KOX00861p Score:7.39 KOX00818p Score:7.39 KOX00773p Score:7.39 KOX00762p Score:7.39 KOX00676p Score:7.39 KOX00655p Score:7.39 KOX00641p Score:7.39 KOX00623p Score:7.39 KOX00478p Score:7.39 KOX00464p Score:7.39	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	Comments
C4H13N2 (89)	C4H10N (72)	a

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。

KOX00669p	89 C4H13N2	72 C4H10N	55 C4H7
89 C4H13N2
72 C4H10N	H3N
55 C4H7	H6N2	H3N

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

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