Ojima:COX00094p

General Index

All Molecules KOX PR PBX COX

Ion Frequency

Prec.-Product

Neutral Loss

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Tetracycline

IDs and Links
MassBank	Tetracycline
CAS
Keio ID

Top 10 Similar Molecules of Tetracycline

Ranking	About scoring
M159+ Score:11.07 M082+ Score:9.37 M081+ Score:9.37 G051+ Score:9.37 G046+ Score:9.37 G021+ Score:9.37 G065+ Score:9.37 A191+ Score:9.37 A122+ Score:9.37 E008+ Score:4.93	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 C7H8NO3:   M159+   Pages Related to Peak C6H8NO2:   A122+  A191+  E011+  G065+  E008+  G021+  G046+  G051+  M081+  M082+   Pages Related to Peak C5H8NO:   A065+  A110+  A122+  A191+  B019+  G065+  M067+  M159+  R016+  B026+  C043+  G021+  G046+  G051+  M081+  M082+  S044+

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。

COX00094p	445 C22H25N2O8	410 C22H20NO7	154 C7H8NO3	126 C6H8NO2	98 C5H8NO
445 C22H25N2O8
410 C22H20NO7	H5NO
154 C7H8NO3	C15H17NO5	C15H12O4
126 C6H8NO2	C16H17NO6	C16H12O5	CO
98 C5H8NO	C17H17NO7	C17H12O6	C2O2	CO

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