Ojima:PR100188p

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	61477-96-1
Keio ID

Top 10 Similar Molecules of Piperacillin

Ranking	About scoring
P039+ Score:24.19 K004+ Score:6.23 X004+ Score:6.23 A155+ Score:5.53 D183+ Score:5.53 E011+ Score:5.53 D173+ Score:5.53 P061+ Score:5.38 M115+ Score:5.38 G039+ Score:5.38	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 C23H28N5O7S:   P039+   Pages Related to Peak C17H18N3O5S:   P039+   Pages Related to Peak C6H11N2O2:   D173+  E011+  P039+  D183+  A155+   Pages Related to Peak C8H6NO:   X004+  K004+   Pages Related to Peak C4H7N2O2:   F025+  G037+  P039+  G039+  M115+  P061+

Annotations

Precursor	Product	Comments
(0)	(0)	KOX00504

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。

PR100188p	518 C23H28N5O7S	376 C17H18N3O5S	143 C6H11N2O2	132 C8H6NO	115 C4H7N2O2
518 C23H28N5O7S
376 C17H18N3O5S	C6H10N2O2
143 C6H11N2O2	C17H17N3O5S	C11H7NO3S
132 C8H6NO	C15H22N4O6S	C9H12N2O4S
115 C4H7N2O2	C19H21N3O5S	C13H11NO3S	C2H4

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