Ojima:KO008956p

General Index

All Molecules KOX PR PBX COX

Ion Frequency

Prec.-Product

Neutral Loss

Help

150px

IDs and Links
MassBank	[1]
CAS
Keio ID

Top 10 Similar Molecules of

Ranking	About scoring
E034+ Score:26.14 S040+ Score:6.23 L047+ Score:6.23 B018+ Score:6.23	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 C17H22NO3:   E034+   Pages Related to Peak C17H20NO2:   E034+   Pages Related to Peak C15H18NO:   B018+  S040+   Pages Related to Peak C15H16N:   E034+  L047+   Pages Related to Peak C12H14N:   E034+

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。

KO008956p	288 C17H22NO3	270 C17H20NO2	256 C16H18NO2	228 C15H18NO	210 C15H16N	172 C12H14N
288 C17H22NO3
270 C17H20NO2	H2O
256 C16H18NO2	CH4O	CH2
228 C15H18NO	C2H4O2	C2H2O	CO
210 C15H16N	C2H6O3	C2H4O2	CH2O2	H2O
172 C12H14N	C5H8O3	C5H6O2	C4H4O2	C3H4O	C3H2

(pos/neg)<<First Page   (pos/neg)<Previous Page

Next Page>(pos/neg)   Last Page>>(pos/neg)