Ojima:PR100272p

General Index

All Molecules KOX PR PBX COX

Ion Frequency

Prec.-Product

Neutral Loss

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O-acetyl-L-serine

IDs and Links
MassBank	O-acetyl-L-serine
CAS	5147-00-2
Keio ID

Top 10 Similar Molecules of O-acetyl-L-serine

Ranking	About scoring
S002+ Score:20.67 G019+ Score:20.5 G043+ Score:14.56 G005+ Score:14.56 A031+ Score:14.56 A016+ Score:14.03 P060+ Score:9.53 D037+ Score:9.53 A064+ Score:9.53 F025+ 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 C5H10NO4:   A031+  G005+  G019+  G043+   Pages Related to Peak C5H7O4:   A059+  G019+  D083+   Pages Related to Peak C5H8NO3:   A031+  E005+  F034+  G005+  G018+  G019+  G043+  O008+  P092+  G006+  G008+   Pages Related to Peak C3H8NO3:   S002+   Pages Related to Peak C4H8NO2:   A031+  A065+  C094+  E005+  F034+  G005+  G018+  G019+  G043+  M003+  M114+  O008+  P092+  R016+  T010+  T020+  A020+  A239+  B090+  D038+  D061+  D183+  E056+  G006+  H003+  M025+  A204+   Pages Related to Peak C3H6NO2:   A016+  A017+  A039+  C015+  F025+  S002+  X004+  A064+  C044+  D037+  P060+   Pages Related to Peak C3H4NO:   A016+  A017+  A039+  C015+  F025+  P032+  S002+  A064+  D037+  E008+  P060+  U006+  A155+   Pages Related to Peak C2H6NO:   A016+  A138+  A191+  G065+  R016+  S002+  A051+  D033+  D078+  G046+  G051+  H069+  M033+  M081+  T051+  A204+

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。

PR100272p	148 C5H10NO4	131 C5H7O4	130 C5H8NO3	106 C3H8NO3	102 C4H8NO2	88 C3H6NO2	70 C3H4NO	60 C2H6NO
148 C5H10NO4
131 C5H7O4	H3N
130 C5H8NO3	H2O
106 C3H8NO3	C2H2O		C2
102 C4H8NO2	CH2O2		CO
88 C3H6NO2	C2H4O2		C2H2O	H2O	CH2
70 C3H4NO	C2H6O3		C2H4O2	H4O2	CH4O	H2O
60 C2H6NO	C3H4O3		C3H2O2	CH2O2	C2H2O	CO

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