MassBank:KOX00073p

General Index

All Molecules KOX PR PBX COX

Ion Frequency

Prec.-Product

Neutral Loss

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Acetanilide

IDs and Links
MassBank	Acetanilide
CAS	103-84-4
Keio ID	A130+

Top 10 Similar Molecules of Acetanilide

Ranking	About scoring
KOX00912p Score:15.84 KOX00886p Score:15.84 KOX00840p Score:15.84 KOX00811p Score:15.84 KOX00809p Score:15.84 KOX00720p Score:15.84 KOX00694p Score:15.84 KOX00673p Score:15.84 KOX00510p Score:15.84 KOX00359p Score:15.84	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
C8H10NO (136)	C6H8N (94)	b
C8H10NO (136)	C6H7N (93)	b,rad.
C8H10NO (136)	C6H5 (77)	a
C8H10NO (136)	C5H5 (65)	c
C8H10NO (136)	C4H3 (51)	d

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。

KOX00073p	136 C8H10NO	94 C6H8N	93 C6H7N	77 C6H5	65 C5H5	51 C4H3
136 C8H10NO
94 C6H8N	C2H2O
93 C6H7N	C2H3O	H
77 C6H5	C2H5NO	H3N	H2N
65 C5H5	C3H5NO	CH3N	CH2N	C
51 C4H3	C4H7NO	C2H5N	C2H4N	C2H2	CH2

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