MassBank:KOX00702p

General Index

All Molecules KOX PR PBX COX

Ion Frequency

Prec.-Product

Neutral Loss

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2,4-Diaminobutyrate

IDs and Links
MassBank	2,4-Diaminobutyrate
CAS	1758-80-1
Keio ID	D038+

Top 10 Similar Molecules of 2,4-Diaminobutyrate

Ranking	About scoring
KOX00729p Score:18.86 KOX00905p Score:14.89 KOX00281p Score:14.89 KOX00270p Score:14.89 KOX00259p Score:14.89 KOX00225p Score:14.89 KOX00022p Score:14.89 KOX00593p Score:14.78 KOX00454p Score:14.78 KOX00268p Score:14.78	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
C4H11N2O2 (119)	C4H8NO2 (102)	-NH3
C4H11N2O2 (119)	C4H9N2O (101)	b
C4H11N2O2 (119)	C2H4NO2 (74)	e

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。

KOX00702p	119 C4H11N2O2	102 C4H8NO2	101 C4H9N2O	85 C4H5O2	84 C4H6NO	74 C2H4NO2	57 C4H9	56 C3H6N
119 C4H11N2O2
102 C4H8NO2	H3N
101 C4H9N2O	H2O
85 C4H5O2	H6N2	H3N
84 C4H6NO	H5NO	H2O	H3N
74 C2H4NO2	C2H7N	C2H4
57 C4H9	H2N2O2		N2O
56 C3H6N	CH5NO2	CH2O2	CH3NO		CO

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