MassBank:KOX00822p

General Index

All Molecules KOX PR PBX COX

Ion Frequency

Prec.-Product

Neutral Loss

Help

Piperidine

IDs and Links
MassBank	Piperidine
CAS	110-89-4
Keio ID	P034+

Top 10 Similar Molecules of Piperidine

Ranking	About scoring
KOX00685p Score:11.82 KOX00469p Score:11.82 KOX00043p Score:11.82 KOX00364p Score:11.33 KOX00762p Score:10.61 KOX00773p Score:8.34 KOX00616p Score:8.34 KOX00391p Score:8.34 KOX00295p Score:8.34 KOX00233p Score:8.34	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
C5H12N (86)	C5H9 (69)	a
C5H12N (86)	C3H6N (56)	b[c]

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。

KOX00822p	86 C5H12N	69 C5H9	67 C5H7	56 C3H6N
86 C5H12N
69 C5H9	H3N
67 C5H7	H5N	H2
56 C3H6N	C2H6

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

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