Ojima:KOX00232n

General Index

All Molecules KOX PR PBX COX

Ion Frequency

Prec.-Product

Neutral Loss

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E-64

IDs and Links
MassBank	E-64
CAS	66701-25-5
Keio ID	E015-

Top 10 Similar Molecules of E-64

Ranking	About scoring
E015+ Score:12.87 A104+ Score:6.23 H112+ Score:5.72 H058+ Score:5.72 B019+ Score:5.72 A093+ Score:5.72	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 C11H23N4O:   E015+   Pages Related to Peak C5H12N3:   E015+  A104+   Pages Related to Peak C5H10N3:   A093+  B019+  H058+  H112+

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。

KOX00232n	356 C15H26N5O5	312 C14H26N5O3	227 C11H23N4O	185 C9H21N4	114 C5H12N3	112 C5H10N3	87 C3H3O3
356 C15H26N5O5
312 C14H26N5O3	CO2
227 C11H23N4O	C4H3NO4	C3H3NO2
185 C9H21N4	C6H5NO5	C5H5NO3	C2H2O
114 C5H12N3	C10H14N2O5	C9H14N2O3	C6H11NO	C4H9N
112 C5H10N3	C10H16N2O5	C9H16N2O3	C6H13NO	C4H11N	H2
87 C3H3O3	C12H23N5O2	C11H23N5

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