Ojima:KO008807p

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
A111+ Score:40.26 A112+ Score:26.98 S011+ Score:15.37 S003+ Score:15.37 H064+ Score:9.49 P054+ Score:5.53 M024+ Score:5.38 D122+ Score:5.38 A135+ Score:5.38 D030+ Score:4.11	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 C12H29N4O:   A111+   Pages Related to Peak C12H27N4:   A111+   Pages Related to Peak C9H19N2O:   A111+  A112+   Pages Related to Peak C7H17N2:   A111+  A112+  S003+  S011+   Pages Related to Peak C7H14N:   A111+  A112+  P054+  S003+  S011+   Pages Related to Peak C5H10NO:   A135+  H064+  A111+  A112+  D122+  M024+   Pages Related to Peak C5H10N:   A050+  A127+  A174+  H064+  H073+  L004+  M035+  M159+  P048+  A068+  A069+  A111+  A112+  A143+  A170+  C043+  K004+  L027+  N016+  S003+  S011+  S044+  T122+  D030+

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。

KO008807p	245 C12H29N4O	227 C12H27N4	171 C9H19N2O	129 C7H17N2	112 C7H14N	100 C5H10NO	84 C5H10N
245 C12H29N4O
227 C12H27N4	H2O
171 C9H19N2O	C3H10N2
129 C7H17N2	C5H12N2O	C5H10N2	C2H2O
112 C7H14N	C5H15N3O	C5H13N3	C2H5NO	H3N
100 C5H10NO	C7H19N3		C4H9N
84 C5H10N	C7H19N3O	C7H17N3	C4H9NO	C2H7N	C2H4	O

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