Ojima:KO009100p

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
D166+ Score:38.07 M111+ Score:12.91 A123+ Score:12.91 G101+ Score:12.44 H029+ Score:9.38 A042+ Score:8.77 N044+ Score:7.19 T060+ Score:7.19 P079+ Score:7.19 N016+ Score:7.19	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 C13H15N4O:   D166+   Pages Related to Peak C13H12N3O:   D166+   Pages Related to Peak C12H11N2:   D166+  H029+  A123+  M111+   Pages Related to Peak C7H8N3O:   D166+   Pages Related to Peak C6H7N2:   A042+  B072+  D166+  G101+  D183+  H069+  M077+   Pages Related to Peak C6H8N:   A010+  A043+  A130+  A220+  C040+  D166+  E033+  G101+  H027+  H029+  H139+  M037+  P014+  P053+  A054+  A068+  A069+  A123+  B009+  B011+  C172+  D032+  D039+  D087+  D180+  K004+  K005+  M063+  M111+  M150+  M172+  N016+  N063+  P079+  S044+  T060+  T122+  N044+   Pages Related to Peak C6H7N:   A010+  A042+  A043+  A130+  A220+  B007+  D166+  E012+  G101+  H027+  H139+  N012+  P014+  P053+  T003+  T054+  A035+  A068+  A069+  A123+  B011+  C172+  D039+  D044+  D180+  K005+  M063+  M066+  M101+  M111+  M142+  M172+  N016+  P035+  P036+  P056+  P079+  P190+  S016+  S041+  T028+  T031+  T060+  N044+

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。

KO009100p	243 C13H15N4O	226 C13H12N3O	183 C12H11N2	150 C7H8N3O	107 C6H7N2	94 C6H8N	93 C6H7N
243 C13H15N4O
226 C13H12N3O	H3N
183 C12H11N2	CH4N2O	CHNO
150 C7H8N3O	C6H7N	C6H4
107 C6H7N2	C7H8N2O	C7H5NO	C6H4	CHNO
94 C6H8N	C7H7N3O	C7H4N2O	C6H3N	CN2O
93 C6H7N	C7H8N3O	C7H5N2O	C6H4N	CHN2O	N	H

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