Ojima:KO008836p

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
A226+ Score:31.86 B026+ Score:11.95 P061+ Score:5.72 E007+ 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 C26H36N5O6:   A226+   Pages Related to Peak C26H34N5O5:   A226+   Pages Related to Peak C24H29N4O5:   A226+   Pages Related to Peak C15H20N3O3:   A226+  B026+   Pages Related to Peak C12H15N2O2:   A226+  B026+  E007+  P061+

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。

KO008836p	514 C26H36N5O6	496 C26H34N5O5	453 C24H29N4O5	290 C15H20N3O3	219 C12H15N2O2
514 C26H36N5O6
496 C26H34N5O5	H2O
453 C24H29N4O5	C2H7NO	C2H5N
290 C15H20N3O3	C11H16N2O3	C11H14N2O2	C9H9NO2
219 C12H15N2O2	C14H21N3O4	C14H19N3O3	C12H14N2O3	C3H5NO

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

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