MassBank:KOX00908p

General Index

All Molecules KOX PR PBX COX

Ion Frequency

Prec.-Product

Neutral Loss

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Hexylamine

IDs and Links
MassBank	Hexylamine
CAS	111-26-2
Keio ID	H024+

Top 10 Similar Molecules of Hexylamine

Ranking	About scoring
KOX00100p Score:9.49 KOX00680p Score:9.31 KOX00875p Score:8.97 KOX00700p Score:8.97 KOX00364p Score:8.97 KOX00862p Score:7.7 KOX00861p Score:7.7 KOX00856p Score:7.7 KOX00762p Score:7.7 KOX00655p Score:7.7	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
C6H16N (102)	C6H13 (85)	c
C6H16N (102)	C4H12N (74)	b
C6H16N (102)	C4H10N (72)	b
C6H16N (102)	C3H8N (58)	a
C6H16N (102)	C3H7N (57)	a,rad.

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。

KOX00908p	102 C6H16N	85 C6H13	74 C4H12N	72 C4H10N	58 C3H8N	57 C3H7N
102 C6H16N
85 C6H13	H3N
74 C4H12N	C2H4
72 C4H10N	C2H6		H2
58 C3H8N	C3H8		CH4	CH2
57 C3H7N	C3H9		CH5	CH3	H

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