Ojima:KOX00250n

General Index

All Molecules KOX PR PBX COX

Ion Frequency

Prec.-Product

Neutral Loss

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Formiminoaspartate

IDs and Links
MassBank	Formiminoaspartate
CAS
Keio ID	F025-

Top 10 Similar Molecules of Formiminoaspartate

Ranking	About scoring
F025+ Score:20.46 A039+ Score:16.17 E015+ Score:12.58 G039+ Score:10.92 P060+ Score:9.53 D037+ Score:9.53 A064+ Score:9.53 S002+ Score:9.53 C015+ Score:9.53 A017+ Score:9.53	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 C5H7N2O4:   A039+   Pages Related to Peak C4H6NO4:   E015+   Pages Related to Peak C4H7N2O2:   F025+  G037+  P039+  G039+  M115+  P061+   Pages Related to Peak C4H5N2O:   A196+  B020+  F025+  G039+  P098+   Pages Related to Peak C3H6NO2:   A016+  A017+  A039+  C015+  F025+  S002+  X004+  A064+  C044+  D037+  P060+   Pages Related to Peak C3H3O2:   A059+  E015+  D083+   Pages Related to Peak C3H4NO:   A016+  A017+  A039+  C015+  F025+  P032+  S002+  A064+  D037+  E008+  P060+  U006+  A155+

Annotations

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。

KOX00250n	159 C5H7N2O4	132 C4H6NO4	115 C4H7N2O2	97 C4H5N2O	88 C3H6NO2	71 C3H3O2	70 C3H4NO	59 C2H3O2
159 C5H7N2O4
132 C4H6NO4	CHN
115 C4H7N2O2	CO2
97 C4H5N2O	CH2O3		H2O
88 C3H6NO2	C2HNO2	CO2	CHN
71 C3H3O2	C2H4N2O2	CH3NO2	CH4N2		H3N
70 C3H4NO	C2H3NO3	CH2O3	CH3NO	CHN	H2O
59 C2H3O2	C3H4N2O2	C2H3NO2	C2H4N2		CH3N	C

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