MassBank:KOX00663p

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All Molecules KOX PR PBX COX

Ion Frequency

Prec.-Product

Neutral Loss

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Ampicillin

IDs and Links
MassBank	Ampicillin
CAS	69-53-4
Keio ID	A197+

Top 10 Similar Molecules of Ampicillin

Ranking	About scoring
KOX00611p Score:13.27 KOX00900p Score:10.21 KOX00343p Score:10.21 KOX00683p Score:8.99 KOX00499p Score:8.99 KOX00083p Score:8.99 KOX00018p Score:8.99 KOX00010p Score:8.99 KOX00008p Score:8.99 KOX00635p Score:6.63	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。

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Page list for each fragment

Pages Related to Peak C14H19N2O3:   KOX00635p   Pages Related to Peak C11H15O:   KOX00611p   Pages Related to Peak C11H13:   KOX00611p   Pages Related to Peak C6H10NO2:   KOX00343p  KOX00368p  KOX00705p  KOX00900p   Pages Related to Peak C3H8NO2:   KOX00008p  KOX00010p  KOX00018p  KOX00083p  KOX00499p  KOX00560p  KOX00662p  KOX00683p  KOX00737p  KOX00843p  KOX00903p   Pages Related to Peak C5H8N:   KOX00079p  KOX00086p  KOX00343p  KOX00518p  KOX00648p  KOX00649p  KOX00687p  KOX00747p  KOX00776p  KOX00811p  KOX00830p  KOX00865p  KOX00875p  KOX00887p  KOX00900p  KOX00911p   Pages Related to Peak C3H6NO:   KOX00008p  KOX00010p  KOX00018p  KOX00083p  KOX00147p  KOX00167p  KOX00223p  KOX00225p  KOX00288p  KOX00292p  KOX00499p  KOX00641p  KOX00642p  KOX00654p  KOX00683p  KOX00718p  KOX00739p  KOX00740p  KOX00772p  KOX00794p  KOX00815p  KOX00852p  KOX00868p

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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。

KOX00663p	350 C16H20N3O4S	263 C14H19N2O3	246 C14H16NO3	163 C11H15O	145 C11H13	128 C6H10NO2	90 C3H8NO2	82 C5H8N	72 C3H6NO
350 C16H20N3O4S
263 C14H19N2O3	C2HNOS
246 C14H16NO3	C2H4N2OS	H3N
163 C11H15O	C5H5N3O3S	C3H4N2O2	C3HNO2
145 C11H13	C5H7N3O4S	C3H6N2O3	C3H3NO3	H2O
128 C6H10NO2	C10H10N2O2S	C8H9NO	C8H6O
90 C3H8NO2	C13H12N2O2S	C11H11NO	C11H8O			C3H2
82 C5H8N	C11H12N2O4S	C9H11NO3	C9H8O3			CH2O2
72 C3H6NO	C13H14N2O3S	C11H13NO2	C11H10O2			C3H4O	H2O

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