Ojima:COX00079p

General Index

All Molecules KOX PR PBX COX

Ion Frequency

Prec.-Product

Neutral Loss

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Rolitetracycline

IDs and Links
MassBank	Rolitetracycline
CAS
Keio ID

Top 10 Similar Molecules of Rolitetracycline

Ranking	About scoring
M159+ Score:10.75 D030+ Score:4.11 T122+ Score:4.11 S044+ Score:4.11 S011+ Score:4.11 S003+ Score:4.11 N016+ Score:4.11 L027+ Score:4.11 K004+ Score:4.11 C043+ Score:4.11	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 C5H10N:   A050+  A127+  A174+  H064+  H073+  L004+  M035+  M159+  P048+  A068+  A069+  A111+  A112+  A143+  A170+  C043+  K004+  L027+  N016+  S003+  S011+  S044+  T122+  D030+

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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。

COX00079p	528 C27H34N3O8	428 C22H22NO8	410 C22H20NO7	154 C7H8NO3	84 C5H10N
528 C27H34N3O8
428 C22H22NO8	C5H12N2
410 C22H20NO7	C5H14N2O	H2O
154 C7H8NO3	C20H26N2O5	C15H14O5	C15H12O4
84 C5H10N	C22H24N2O8	C17H12O8	C17H10O7

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