MassBank:KOX00641p

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All Molecules KOX PR PBX COX

Ion Frequency

Prec.-Product

Neutral Loss

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N-Acetylputrescine

IDs and Links
MassBank	N-Acetylputrescine
CAS	18233-70-0
Keio ID	A051+

Top 10 Similar Molecules of N-Acetylputrescine

Ranking	About scoring
KOX00655p Score:19.75 KOX00478p Score:13.11 KOX00043p Score:9 KOX00794p Score:8.71 KOX00740p Score:8.71 KOX00739p Score:8.71 KOX00292p Score:8.71 KOX00083p Score:8.71 KOX00654p Score:8.26 KOX00710p Score:7.84	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
C6H15N2O (131)	C6H12NO (114)	c
C6H15N2O (131)	C4H10N (72)	a,-NH3
C6H15N2O (131)	C3H6NO (72)	b
C6H15N2O (131)	C2H6NO (60)	e
C6H12NO (114)	C4H10N (72)	ITd
C6H12NO (114)	C3H6NO (72)	ITd
C6H12NO (114)	C2H6NO (60)	IT

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。

KOX00641p	131 C6H15N2O	114 C6H12NO	72 C4H10N	72 C3H6NO	60 C2H6NO	55 C4H7
131 C6H15N2O
114 C6H12NO	H3N
72 C4H10N	C2H5NO	C2H2O
72 C3H6NO	C3H9N	C3H6
60 C2H6NO	C4H9N	C4H6		C
55 C4H7	C2H8N2O	C2H5NO	H3N

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