Ojima:KO009047p

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
M156+ Score:53.1	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 C21H28N3O2:   M156+   Pages Related to Peak C20H23N2O2:   M156+   Pages Related to Peak C19H23N2O2:   M156+   Pages Related to Peak C19H21N2O:   M156+   Pages Related to Peak C17H17N2O:   M156+   Pages Related to Peak C16H17N2:   M156+   Pages Related to Peak C15H12NO:   M156+   Pages Related to Peak C14H15N2:   M156+

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。

KO009047p	354 C21H28N3O2	336 C21H26N3O	323 C20H23N2O2	311 C19H23N2O2	293 C19H21N2O	283 C17H19N2O2	265 C17H17N2O	237 C16H17N2	222 C15H12NO	211 C14H15N2
354 C21H28N3O2
336 C21H26N3O	H2O
323 C20H23N2O2	CH5N
311 C19H23N2O2	C2H5N		C
293 C19H21N2O	C2H7NO	C2H5N	CH2O	H2O
283 C17H19N2O2	C4H9N		C3H4	C2H4
265 C17H17N2O	C4H11NO	C4H9N	C3H6O	C2H6O	C2H4	H2O
237 C16H17N2	C5H11NO2	C5H9NO	C4H6O2	C3H6O2	C3H4O	CH2O2	CO
222 C15H12NO	C6H16N2O	C6H14N2	C5H11NO	C4H11NO	C4H9N	C2H7NO	C2H5N
211 C14H15N2	C7H13NO2	C7H11NO	C6H8O2	C5H8O2	C5H6O	C3H4O2	C3H2O	C2H2

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