Ojima:KOX00247n

General Index

All Molecules KOX PR PBX COX

Ion Frequency

Prec.-Product

Neutral Loss

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N-Formylaspartate

IDs and Links
MassBank	N-Formylaspartate
CAS	19427-28-2
Keio ID	F022-

Top 10 Similar Molecules of N-Formylaspartate

Ranking	About scoring
P032+ Score:11.48 F025+ Score:10.38 A039+ Score:10.38 A017+ Score:10.38 A016+ Score:10.38 M115+ Score:5.94 E008+ Score:5.94 D083+ Score:5.94 E015+ Score:5.94 A059+ Score:5.94	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 C4H6NO3:   A016+  A017+  A039+  F025+  P032+   Pages Related to Peak C4H4NO2:   P032+  E008+  M115+   Pages Related to Peak C3H6NO2:   A016+  A017+  A039+  C015+  F025+  S002+  X004+  A064+  C044+  D037+  P060+   Pages Related to Peak C3H3O2:   A059+  E015+  D083+

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。

KOX00247n	160 C5H6NO5	116 C4H6NO3	98 C4H4NO2	88 C3H6NO2	71 C3H3O2	45 CHO2
160 C5H6NO5
116 C4H6NO3	CO2
98 C4H4NO2	CH2O3	H2O
88 C3H6NO2	C2O3	CO
71 C3H3O2	C2H3NO3	CH3NO	CHN	H3N
45 CHO2	C4H5NO3	C3H5NO	C3H3N	C2H5N	C2H2

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