MassBank:KOX00679p

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Ion Frequency

Prec.-Product

Neutral Loss

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Bis(3-aminopropyl)amine

IDs and Links
MassBank	Bis(3-aminopropyl)amine
CAS	56-18-8
Keio ID	B040+

Top 10 Similar Molecules of Bis(3-aminopropyl)amine

Ranking	About scoring
KOX00856p Score:13.03 KOX00838p Score:11.62 KOX00364p Score:11.62 KOX00699p Score:9.82 KOX00661p Score:9.82 KOX00873p Score:9.77 KOX00827p Score:9.77 KOX00024p Score:9.77 KOX00478p Score:9.08 KOX00875p Score:8.84	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
C6H18N3 (132)	C6H15N2 (115)	c
C6H18N3 (132)	C4H11N2 (87)	a
C6H18N3 (132)	C3H11N2 (75)	b
C6H18N3 (132)	C3H8N (58)	b,-NH3

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。

KOX00679p	132 C6H18N3	115 C6H15N2	98 C6H12N	87 C4H11N2	86 C5H12N	75 C3H11N2	70 C4H8N	58 C3H8N
132 C6H18N3
115 C6H15N2	H3N
98 C6H12N	H6N2	H3N
87 C4H11N2	C2H7N	C2H4
86 C5H12N	CH6N2	CH3N	C
75 C3H11N2	C3H7N	C3H4		C
70 C4H8N	C2H10N2	C2H7N	C2H4	H3N	CH4
58 C3H8N	C3H10N2	C3H7N	C3H4	CH3N	C2H4	H3N	C

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