MassBank:KOX00671p

General Index

All Molecules KOX PR PBX COX

Ion Frequency

Prec.-Product

Neutral Loss

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Benzamide

IDs and Links
MassBank	Benzamide
CAS	55-21-0
Keio ID	B009+

Top 10 Similar Molecules of Benzamide

Ranking	About scoring
KOX00676p Score:14.61 KOX00886p Score:13.34 KOX00720p Score:13.34 KOX00697p Score:13.34 KOX00236p Score:13.34 KOX00491p Score:12.08 KOX00422p Score:12.08 KOX00628p Score:11.95 KOX00703p Score:10.28 KOX00828p Score:9.64	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
C7H8NO (122)	C7H5O (105)	b
C7H8NO (122)	C6H8N (94)	x
C7H8NO (122)	C6H7 (79)	a
C7H8NO (122)	C6H5 (77)	a
C7H8NO (122)	C4H3 (51)	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。

KOX00671p	122 C7H8NO	105 C7H5O	94 C6H8N	79 C6H7	77 C6H5	51 C4H3
122 C7H8NO
105 C7H5O	H3N
94 C6H8N	CO
79 C6H7	CHNO		HN
77 C6H5	CH3NO	CO	H3N	H2
51 C4H3	C3H5NO	C3H2O	C2H5N	C2H4	C2H2

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