Ojima:KOX00503n

General Index

All Molecules KOX PR PBX COX

Ion Frequency

Prec.-Product

Neutral Loss

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Piperacillin

IDs and Links
MassBank	Piperacillin
CAS	59703-84-3
Keio ID	P039-

Top 10 Similar Molecules of Piperacillin

Ranking	About scoring
M054+ Score:6.63 N044+ Score:3.86 T031+ Score:3.86 T030+ Score:3.86 T028+ Score:3.86 T008+ Score:3.86 S041+ Score:3.86 Q008+ Score:3.86 P079+ Score:3.86 P057+ Score:3.86	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 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 C2H2NS:   M054+

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。

KOX00503n	516 C23H26N5O7S	472 C22H26N5O5S	104 C7H6N	72 C2H2NS	42 CNO
516 C23H26N5O7S
472 C22H26N5O5S	CO2
104 C7H6N	C16H20N4O7S	C15H20N4O5S
72 C2H2NS	C21H24N4O7	C20H24N4O5
42 CNO	C22H26N4O6S	C21H26N4O4S

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