Ojima:KO008978p

General Index

All Molecules KOX PR PBX COX

Ion Frequency

Prec.-Product

Neutral Loss

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IDs and Links
MassBank	[1]
CAS
Keio ID

Top 10 Similar Molecules of

Ranking	About scoring
G075+ Score:58.93 G057+ Score:12.46	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 C30H47O4:   G057+  G075+   Pages Related to Peak C30H45O3:   G057+  G075+   Pages Related to Peak C29H45O2:   G075+   Pages Related to Peak C29H43O:   G075+   Pages Related to Peak C20H29O3:   G075+   Pages Related to Peak C16H23O3:   G075+   Pages Related to Peak C15H23O2:   G075+   Pages Related to Peak C11H21O4:   G075+   Pages Related to Peak C14H21:   G075+

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。

KO008978p	471 C30H47O4	453 C30H45O3	435 C30H43O2	425 C29H45O2	407 C29H43O	389 C29H41	317 C20H29O3	263 C16H23O3	235 C15H23O2	217 C11H21O4	189 C14H21
471 C30H47O4
453 C30H45O3	H2O
435 C30H43O2	H4O2	H2O
425 C29H45O2	CH2O2	CO
407 C29H43O	CH4O3	CH2O2	CO	H2O
389 C29H41	CH6O4	CH4O3	CH2O2	H4O2	H2O
317 C20H29O3	C10H18O	C10H16
263 C16H23O3	C14H24O	C14H22					C4H6
235 C15H23O2	C15H24O2	C15H22O	C15H20	C14H22			C5H6O	CO
217 C11H21O4	C19H26
189 C14H21	C16H26O4	C16H24O3	C16H22O2	C15H24O2	C15H22O	C15H20	C6H8O3	C2H2O3	CH2O2

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