MassBank:KOX00504p

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
KOX00254p Score:6.63 KOX00903p Score:5.72 KOX00721p Score:5.72 KOX00229p Score:5.72 KOX00223p Score:5.72 KOX00834p Score:5.53 KOX00801p Score:5.53 KOX00737p Score:5.53 KOX00279p Score:5.53 KOX00251p Score:5.53	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 C6H10NO2S:   KOX00254p   Pages Related to Peak C6H11N2O2:   KOX00223p  KOX00229p  KOX00721p  KOX00903p   Pages Related to Peak C4H7N2O2:   KOX00251p  KOX00279p  KOX00737p  KOX00801p  KOX00834p

Annotations

Precursor	Product	Comments
C23H28N5O7S (518)	C17H18N3O5S (376)	c
C23H28N5O7S (518)	C17H19N4O5 (359)	d
C23H28N5O7S (518)	C16H17N2O4S (333)	e
C23H28N5O7S (518)	C15H16N3O4 (302)	f
C23H28N5O7S (518)	C14H16N3O3 (274)	i
C23H28N5O7S (518)	C7H12N3O3 (186)	g
C23H28N5O7S (518)	C6H10NO2S (160)	b
C23H28N5O7S (518)	C6H11N2O2 (143)	a

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。

KOX00504p	518 C23H28N5O7S	376 C17H18N3O5S	359 C17H19N4O5	333 C16H17N2O4S	302 C15H16N3O4	274 C14H16N3O3	186 C7H12N3O3	160 C6H10NO2S	143 C6H11N2O2	115 C4H7N2O2
518 C23H28N5O7S
376 C17H18N3O5S	C6H10N2O2
359 C17H19N4O5	C6H9NO2S
333 C16H17N2O4S	C7H11N3O3	CHNO
302 C15H16N3O4	C8H12N2O3S	C2H2OS	C2H3NO
274 C14H16N3O3	C9H12N2O4S	C3H2O2S	C3H3NO2		CO
186 C7H12N3O3	C16H16N2O4S	C10H6O2S	C10H7NO2		C8H4O	C7H4
160 C6H10NO2S	C17H18N4O5	C11H8N2O3		C10H7NO2
143 C6H11N2O2	C17H17N3O5S	C11H7NO3S	C11H8N2O3	C10H6O2S	C9H5NO2	C8H5NO	CHNO
115 C4H7N2O2	C19H21N3O5S	C13H11NO3S	C13H12N2O3	C12H10O2S	C11H9NO2	C10H9NO	C3H5NO		C2H4

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