Ojima:COX00009p

総索引

分子リスト KOX PR PBX COX

イオン統計

前駆-生成イオン統計

中性脱離分子統計

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Amfenac

IDs and Links
MassBank	Amfenac
CAS
Keio ID

Top 10 Similar Molecules of Amfenac

Ranking	About scoring
K004+ Score:18.99 X004+ Score:18.7 M142+ Score:18.19 P014+ Score:12.75 M099+ Score:12.58 H139+ Score:11.77 B026+ Score:8.6 B009+ Score:8.6 I025+ Score:8.6 Q001+ Score:7.91	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 C14H12NO:   M099+   Pages Related to Peak C13H10N:   D128+  E034+  M089+  M142+   Pages Related to Peak C12H9N:   I025+  M099+  M142+   Pages Related to Peak C8H8NO2:   P014+  K004+   Pages Related to Peak C8H6NO:   X004+  K004+   Pages Related to Peak C7H5O:   X004+  B009+  B026+   Pages Related to Peak C7H6N:   E033+  H139+  I030+  I038+  M037+  P014+  P053+  T054+  X004+  A035+  A068+  A123+  B004+  D087+  K004+  M101+  M111+  M142+  M169+  M172+  N016+  N067+  P057+  P079+  Q008+  S041+  T008+  T028+  T030+  T031+  N044+   Pages Related to Peak C6H7O:   G062+  H139+  P033+  P055+  T002+  B013+  Q001+   Pages Related to Peak C6H5:   A010+  A043+  A050+  A053+  A067+  A110+  A130+  B007+  B015+  B018+  B020+  D046+  D051+  D166+  E012+  E033+  H029+  H139+  I015+  I019+  I022+  I025+  I030+  I038+  M037+  M040+  M053+  M078+  M127+  N018+  P002+  P014+  P033+  P053+  P059+  P113+  S013+  T002+  T003+  T054+  T112+  X004+  A035+  A036+  A054+  A061+  A064+  A080+  B004+  B009+  B011+  B013+  B026+  C172+  D032+  D039+  D061+  D087+  D178+  D180+  D185+  E013+  F016+  G041+  H045+  I063+  I067+  K004+  K005+  L027+  L031+  M039+  M066+  M082+  M101+  M142+  M150+  M167+  M169+  M172+  N016+  N028+  N067+  O007+  P036+  P047+  P054+  P057+  P061+  P079+  Q001+  Q008+  S040+  S041+  S058+  T008+  T024+  T028+  T030+  T031+  T032+  T060+  T126+  D030+  A155+  N044+

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。

COX00009p	256 C15H14NO3	238 C15H12NO2	210 C14H12NO	195 C13H9NO	180 C13H10N	167 C12H9N	150 C8H8NO2	132 C8H6NO	105 C7H5O	104 C7H6N	95 C6H7O	77 C6H5
256 C15H14NO3
238 C15H12NO2	H2O
210 C14H12NO	CH2O2	CO
195 C13H9NO	C2H5O2	C2H3O	CH3
180 C13H10N	C2H4O3	C2H2O2	CH2O
167 C12H9N	C3H5O3	C3H3O2	C2H3O	CO	CH
150 C8H8NO2	C7H6O	C7H4
132 C8H6NO	C7H8O2	C7H6O	C6H6	C5H3			H2O
105 C7H5O	C8H9NO2	C8H7NO	C7H7N	C6H4N			CH3NO	CHN
104 C7H6N	C8H8O3	C8H6O2	C7H6O	C6H3O	C6H4	C5H3	CH2O2	CO
95 C6H7O	C9H7NO2	C9H5NO	C8H5N	C7H2N			C2HNO
77 C6H5	C9H9NO3	C9H7NO2	C8H7NO	C7H4NO	C7H5N	C6H4N	C2H3NO2	C2HNO	CO	CHN	H2O

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