MassBank:KOX00701p

General Index

All Molecules KOX PR PBX COX

Ion Frequency

Prec.-Product

Neutral Loss

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2,3-Diaminopropionate

IDs and Links
MassBank	2,3-Diaminopropionate
CAS
Keio ID	D037+

Top 10 Similar Molecules of 2,3-Diaminopropionate

Ranking	About scoring
KOX00251p Score:15.92 KOX00279p Score:11.95 KOX00833p Score:9.69 KOX00646p Score:9.69 KOX00554p Score:9.69 KOX00140p Score:9.69 KOX00029p Score:9.69 KOX00014p Score:9.69 KOX00012p Score:9.69 KOX00223p Score:6.63	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。

Links

Page list for each fragment

Pages Related to Peak C3H9N2O2:   KOX00251p  KOX00279p   Pages Related to Peak C3H6NO2:   KOX00012p  KOX00014p  KOX00029p  KOX00140p  KOX00251p  KOX00554p  KOX00628p  KOX00646p  KOX00688p  KOX00833p   Pages Related to Peak C2H6NO2:   KOX00262p  KOX00279p  KOX00284p  KOX00290p   Pages Related to Peak C3H4NO:   KOX00012p  KOX00014p  KOX00029p  KOX00140p  KOX00251p  KOX00499p  KOX00554p  KOX00646p  KOX00724p  KOX00833p  KOX00893p  KOX00903p   Pages Related to Peak C2H7N2:   KOX00223p   Pages Related to Peak C2H4NO:   KOX00776p  KOX00904p

Annotations

Precursor	Product	Comments
C3H9N2O2 (105)	C3H6NO2 (88)	-NH3
C3H9N2O2 (105)	C2H6NO2 (76)	c
C3H9N2O2 (105)	C2H7N2 (59)	a

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。

KOX00701p	105 C3H9N2O2	88 C3H6NO2	76 C2H6NO2	70 C3H4NO	59 C2H7N2	58 C2H4NO
105 C3H9N2O2
88 C3H6NO2	H3N
76 C2H6NO2	CH3N	C
70 C3H4NO	H5NO	H2O
59 C2H7N2	CH2O2
58 C2H4NO	CH5NO	CH2O	H2O	C

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