MassBank:KOX00079p

General Index

All Molecules KOX PR PBX COX

Ion Frequency

Prec.-Product

Neutral Loss

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5-Aminopentanoate

IDs and Links
MassBank	5-Aminopentanoate
CAS	660-88-8
Keio ID	A135+

Top 10 Similar Molecules of 5-Aminopentanoate

Ranking	About scoring
KOX00100p Score:24.42 KOX00343p Score:21.84 KOX00623p Score:21.17 KOX00464p Score:18.18 KOX00655p Score:12.93 KOX00818p Score:12.64 KOX00648p Score:11.59 KOX00900p Score:10.77 KOX00762p Score:10.38 KOX00903p Score:10.27	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
C5H12NO2 (118)	C5H9O2 (101)	b
C5H12NO2 (118)	C5H10NO (100)	c
C5H12NO2 (118)	C4H10N (72)	e
C5H12NO2 (118)	C3H6N (56)	d
C5H9O2 (101)	C5H7O (83)	IT
C5H9O2 (101)	C4H7 (55)	IT
C5H7O (83)	C4H7 (55)	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。

KOX00079p	118 C5H12NO2	101 C5H9O2	100 C5H10NO	83 C5H7O	82 C5H8N	72 C4H10N	59 C3H7O	56 C3H6N	55 C4H7	53 C4H5
118 C5H12NO2
101 C5H9O2	H3N
100 C5H10NO	H2O
83 C5H7O	H5NO	H2O	H3N
82 C5H8N	H4O2		H2O
72 C4H10N	CH2O2		CO
59 C3H7O	C2H5NO	C2H2O	C2H3N	C2
56 C3H6N	C2H6O2		C2H4O		C2H2	CH4
55 C4H7	CH5NO2	CH2O2	CH3NO	CO	CHN	H3N
53 C4H5	CH7NO2	CH4O2	CH5NO	CH2O	CH3N	H5N			H2

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