MassBank:KOX00014p

General Index

All Molecules KOX PR PBX COX

Ion Frequency

Prec.-Product

Neutral Loss

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Asp

IDs and Links
MassBank	Asp
CAS	56-84-8
Keio ID	A017+

Top 10 Similar Molecules of Asp

Ranking	About scoring
KOX00029p Score:26.01 KOX00251p Score:19.38 KOX00012p Score:19.38 KOX00499p Score:14.44 KOX00646p Score:13.66 KOX00140p Score:13.66 KOX00833p Score:9.69 KOX00701p Score:9.69 KOX00554p Score:9.69 KOX00688p Score:4.93	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 C4H8NO4:   KOX00029p   Pages Related to Peak C4H6NO3:   KOX00012p  KOX00029p  KOX00251p  KOX00499p   Pages Related to Peak C3H6NO2:   KOX00012p  KOX00029p  KOX00140p  KOX00251p  KOX00554p  KOX00628p  KOX00646p  KOX00688p  KOX00701p  KOX00833p   Pages Related to Peak C2H4NO2:   KOX00012p  KOX00024p  KOX00029p  KOX00051p  KOX00069p  KOX00086p  KOX00122p  KOX00140p  KOX00167p  KOX00251p  KOX00254p  KOX00268p  KOX00288p  KOX00308p  KOX00335p  KOX00343p  KOX00393p  KOX00406p  KOX00454p  KOX00499p  KOX00582p  KOX00593p  KOX00646p  KOX00676p  KOX00702p  KOX00729p  KOX00748p  KOX00766p   Pages Related to Peak C3H4NO:   KOX00012p  KOX00029p  KOX00140p  KOX00251p  KOX00499p  KOX00554p  KOX00646p  KOX00701p  KOX00724p  KOX00833p  KOX00893p  KOX00903p

Annotations

Precursor	Product	Comments
C4H8NO4 (134)	C4H6NO3 (116)	-H2O
C4H8NO4 (134)	C3H6NO2 (88)	c[d]
C4H8NO4 (134)	C2H4NO2 (74)	b
C4H6NO3 (116)	C3H6NO2 (88)	IT
C4H6NO3 (116)	C2H4NO2 (74)	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。

KOX00014p	134 C4H8NO4	116 C4H6NO3	88 C3H6NO2	74 C2H4NO2	70 C3H4NO
134 C4H8NO4
116 C4H6NO3	H2O
88 C3H6NO2	CH2O2	CO
74 C2H4NO2	C2H4O2	C2H2O	CH2
70 C3H4NO	CH4O3	CH2O2	H2O

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