Ojima:PR100828n

General Index

All Molecules KOX PR PBX COX

Ion Frequency

Prec.-Product

Neutral Loss

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N-acetyl-DL-serine

IDs and Links
MassBank	N-acetyl-DL-serine
CAS	97-14-3
Keio ID

Top 10 Similar Molecules of N-acetyl-DL-serine

Ranking	About scoring
P032+ Score:9.46 F025+ Score:9.46 A039+ Score:9.46 A017+ Score:9.46 A016+ Score:9.46 K004+ Score:3.92 H050+ Score:3.92 E056+ Score:3.92 D038+ Score:3.92 B026+ Score:3.92	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 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+

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。

PR100828n	146 C5H8NO4	116 C4H6NO3	74 C2H4NO2
146 C5H8NO4
116 C4H6NO3	CH2O
74 C2H4NO2	C3H4O2	C2H2O

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