Ojima:KOX00052n

General Index

All Molecules KOX PR PBX COX

Ion Frequency

Prec.-Product

Neutral Loss

Help

150px
N-Acetylphenylalanine

IDs and Links
MassBank	N-Acetylphenylalanine
CAS	2018-61-3
Keio ID	A067-

Top 10 Similar Molecules of N-Acetylphenylalanine

Ranking	About scoring
A137+ Score:13.17 M078+ Score:9.9 T032+ Score:9.5 T002+ Score:9.5 P070+ Score:9.21 T031+ Score:7.23 T030+ Score:7.23 T008+ Score:7.23 M167+ Score:7.23 M101+ Score:7.23	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 C11H12NO3:   M078+  A137+  P070+   Pages Related to Peak C9H10NO2:   P190+  P191+   Pages Related to Peak C9H7O2:   T002+  T032+   Pages Related to Peak C8H7:   A067+  B018+  I022+  I025+  I030+  I038+  M040+  M078+  P002+  T054+  A080+  A137+  D039+  D178+  D180+  E007+  G041+  H045+  I067+  M101+  M167+  N016+  P047+  Q008+  S040+  T008+  T030+  T031+   Pages Related to Peak C7H7:   A067+  B015+  B018+  B020+  C040+  D046+  E033+  E034+  H027+  H139+  I025+  M040+  M053+  M127+  N018+  P002+  P059+  S013+  T002+  T003+  T054+  Z003+  A061+  A068+  A080+  A137+  A226+  B013+  C172+  D039+  D087+  D122+  D185+  E013+  F016+  G041+  H045+  K004+  L031+  M071+  M101+  M103+  M167+  M169+  M172+  P061+  P070+  P206+  Q001+  S058+  T008+  T024+  T030+  T031+  T032+  T044+  D030+   Pages Related to Peak C2H4NO:   D037+  M024+  A166+

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。

KOX00052n	206 C11H12NO3	164 C9H10NO2	147 C9H7O2	103 C8H7	91 C7H7	72 C2H2NO2	58 C2H4NO
206 C11H12NO3
164 C9H10NO2	C2H2O
147 C9H7O2	C2H5NO	H3N
103 C8H7	C3H5NO3	CH3NO2	CO2
91 C7H7	C4H5NO3	C2H3NO2	C2O2	C
72 C2H2NO2	C9H10O	C7H8
58 C2H4NO	C9H8O2	C7H6O

(pos/neg)<<First Page   (pos/neg)<Previous Page

Next Page>(pos/neg)   Last Page>>(pos/neg)