Ojima:PR100395p

General Index

All Molecules KOX PR PBX COX

Ion Frequency

Prec.-Product

Neutral Loss

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N-Acetyl-DL-aspartic acid

IDs and Links
MassBank	N-Acetyl-DL-aspartic acid
CAS	2545-40-6
Keio ID

Top 10 Similar Molecules of N-Acetyl-DL-aspartic acid

Ranking	About scoring
F025+ Score:25.64 A039+ Score:25.23 A017+ Score:25.23 A016+ Score:19 P032+ Score:14.16 A064+ Score:13.46 C015+ Score:13.46 P060+ Score:9.53 D037+ Score:9.53 S002+ 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 C6H8NO4:   E015+   Pages Related to Peak C4H8NO4:   A017+  A039+   Pages Related to Peak C5H8NO3:   A031+  E005+  F034+  G005+  G018+  G019+  G043+  O008+  P092+  G006+  G008+   Pages Related to Peak C4H6NO3:   A016+  A017+  A039+  F025+  P032+   Pages Related to Peak C4H3O3:   F025+   Pages Related to Peak C3H6NO2:   A016+  A017+  A039+  C015+  F025+  S002+  X004+  A064+  C044+  D037+  P060+   Pages Related to Peak C2H4NO2:   A016+  A017+  A032+  A039+  A065+  A127+  A140+  B018+  C015+  C094+  F025+  F034+  G018+  G061+  H002+  H048+  H064+  L004+  M003+  M114+  P032+  T003+  T020+  A064+  B026+  D038+  E056+  H050+  K004+   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。

PR100395p	176 C6H10NO5	158 C6H8NO4	134 C4H8NO4	130 C5H8NO3	116 C4H6NO3	99 C4H3O3	88 C3H6NO2	74 C2H4NO2	70 C3H4NO
176 C6H10NO5
158 C6H8NO4	H2O
134 C4H8NO4	C2H2O	C2
130 C5H8NO3	CH2O2	CO
116 C4H6NO3	C2H4O2	C2H2O	H2O	CH2
99 C4H3O3	C2H7NO2	C2H5NO	H5NO	CH5N	H3N
88 C3H6NO2	C3H4O3	C3H2O2	CH2O2	C2H2O	CO
74 C2H4NO2	C4H6O3	C4H4O2	C2H4O2	C3H4O	C2H2O		CH2
70 C3H4NO	C3H6O4	C3H4O3	CH4O3	C2H4O2	CH2O2		H2O

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