Ojima:COX00067p

General Index

All Molecules KOX PR PBX COX

Ion Frequency

Prec.-Product

Neutral Loss

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Oxytetracycline

IDs and Links
MassBank	Oxytetracycline
CAS
Keio ID

Top 10 Similar Molecules of Oxytetracycline

Ranking	About scoring
M159+ Score:11.08 P192+ Score:6.64 S044+ Score:4.44 M082+ Score:4.44 M081+ Score:4.44 G051+ Score:4.44 G046+ Score:4.44 G021+ Score:4.44 C043+ Score:4.44 B026+ Score:4.44	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 C10H9O:   P192+   Pages Related to Peak C5H8NO:   A065+  A110+  A122+  A191+  B019+  G065+  M067+  M159+  R016+  B026+  C043+  G021+  G046+  G051+  M081+  M082+  S044+

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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。

COX00067p	461 C22H25N2O9	365 C20H13O7	337 C19H13O6	283 C16H11O5	201 C12H9O3	154 C7H8NO3	145 C10H9O	98 C5H8NO
461 C22H25N2O9
365 C20H13O7	C2H12N2O2
337 C19H13O6	C3H12N2O3	CO
283 C16H11O5	C6H14N2O4	C4H2O2	C3H2O
201 C12H9O3	C10H16N2O6	C8H4O4	C7H4O3	C4H2O2
154 C7H8NO3	C15H17NO6
145 C10H9O	C12H16N2O8	C10H4O6	C9H4O5	C6H2O4	C2O2
98 C5H8NO	C17H17NO8					C2O2

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