Ojima:KO009277p

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
T033+ Score:39.14 M110+ Score:5.94 M030+ Score:5.94	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 C14H19N4O3:   T033+   Pages Related to Peak C13H15N4O3:   T033+   Pages Related to Peak C12H13N4O3:   T033+   Pages Related to Peak C12H14N4O:   T033+   Pages Related to Peak C5H7N4:   M030+  M110+  T033+   Pages Related to Peak C4H6N4:   T033+

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。

./lua: /tmp/mw_ex_lua_BZ3jKK:33: attempt to compare number with nil Illegal ion order (check mass!): H181 < C5H7N4

KO009277p	291 C14H19N4O3	276 C13H16N4O3	275 C13H15N4O3	261 C12H13N4O3	258 C13H14N4O2	230 C12H14N4O	18 H181	123 C5H7N4	110 C4H6N4
291 C14H19N4O3
276 C13H16N4O3	CH3
275 C13H15N4O3	CH4	H
261 C12H13N4O3	C2H6	CH3	CH2
258 C13H14N4O2	CH5O	H2O	HO
230 C12H14N4O	C2H5O2	CH2O2	CHO2		CO
18 H181 (pos/neg)<<First Page   (pos/neg)<Previous Page Next Page>(pos/neg)   Last Page>>(pos/neg)