MassBank:KOX00718p

General Index

All Molecules KOX PR PBX COX

Ion Frequency

Prec.-Product

Neutral Loss

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Diethyl-2-phenylacetamide

IDs and Links
MassBank	Diethyl-2-phenylacetamide
CAS	2431-96-1
Keio ID	D122+

Top 10 Similar Molecules of Diethyl-2-phenylacetamide

Ranking	About scoring
KOX00880p Score:9.84 KOX00879p Score:9.84 KOX00878p Score:9.84 KOX00870p Score:9.84 KOX00859p Score:9.84 KOX00809p Score:9.84 KOX00797p Score:9.84 KOX00766p Score:9.84 KOX00674p Score:9.84 KOX00647p Score:9.84	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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Annotations

Precursor	Product	Comments
C12H18NO (192)	C5H10NO (100)	b
C12H18NO (192)	C7H7 (91)	a
C12H18NO (192)	C4H12N (74)	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。

KOX00718p	192 C12H18NO	118 C8H8N	100 C5H10NO	91 C7H7	74 C4H12N	72 C3H6NO	65 C5H5
192 C12H18NO
118 C8H8N	C4H10O
100 C5H10NO	C7H8
91 C7H7	C5H11NO	CHN
74 C4H12N	C8H6O
72 C3H6NO	C9H12		C2H4
65 C5H5	C7H13NO	C3H3N	H5NO	C2H2

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