MassBank:KOX00887p

General Index

All Molecules KOX PR PBX COX

Ion Frequency

Prec.-Product

Neutral Loss

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Tropinone

IDs and Links
MassBank	Tropinone
CAS	532-24-1
Keio ID	T061+

Top 10 Similar Molecules of Tropinone

[show] Ranking	About scoring
KOX00875p Score:21.59 KOX00709p Score:15.36 KOX00762p Score:11.71 KOX00911p Score:11.51 KOX00687p Score:10.96 KOX00343p Score:10.96 KOX00508p Score:10.5 KOX00041p Score:10.5 KOX00086p Score:8.53 KOX00803p Score:8.37	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。

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Precursor	Product	Comments
C8H14NO (140)	C6H12N (98)	a

Precursor-Product Relationship

[show] 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。

[hide] KOX00887p	140 C8H14NO	98 C6H12N	82 C5H8N	68 C4H6N	67 C5H7	57 C3H7N	56 C3H6N
140 C8H14NO
98 C6H12N	C2H2O
82 C5H8N	C3H6O	CH4
68 C4H6N	C4H8O	C2H6	CH2
67 C5H7	C3H7NO	CH5N	HN
57 C3H7N	C5H7O	C3H5	C2H
56 C3H6N	C5H8O	C3H6	C2H2	C		H

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