Ojima:MT000019p

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
A069+ Score:16.1 N044+ Score:13.7 S041+ Score:9.87 Q001+ Score:9.18 K004+ Score:9.18 E007+ Score:9.18 T003+ Score:9.18 H139+ Score:9.18 G046+ Score:8.27 G021+ Score:8.27	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。

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Page list for each fragment

Pages Related to Peak C10H13N2O:   A069+  S041+   Pages Related to Peak C9H13N2:   A069+  N044+   Pages Related to Peak C9H8NO:   H139+  T003+  E007+  K004+  Q001+   Pages Related to Peak C8H8N:   A067+  C057+  E033+  E034+  H027+  H139+  I025+  I050+  M040+  M053+  P002+  P059+  P075+  T002+  T003+  T054+  A068+  A069+  A123+  A137+  B013+  C043+  D039+  D122+  E007+  K004+  M101+  M103+  M169+  M172+  N016+  P070+  Q001+  S041+  S058+  T030+  T031+  T032+  N044+   Pages Related to Peak C5H8NO:   A065+  A110+  A122+  A191+  B019+  G065+  M067+  M159+  R016+  B026+  C043+  G021+  G046+  G051+  M081+  M082+  S044+   Pages Related to Peak C5H6N:   A042+  A220+  B072+  D057+  E012+  G101+  I050+  N004+  P053+  P094+  R016+  S079+  A068+  B026+  D180+  G021+  G046+  H050+  H097+  I017+  I051+  M013+  M063+  N001+  N016+  P035+  P041+  P079+  P183+  S016+  M022+  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。

MT000019p	177 C10H13N2O	149 C9H13N2	146 C9H8NO	118 C8H8N	98 C5H8NO	80 C5H6N
177 C10H13N2O
149 C9H13N2	CO
146 C9H8NO	CH5N
118 C8H8N	C2H5NO	CH5N	CO
98 C5H8NO	C5H5N		C4
80 C5H6N	C5H7NO	C4H7N	C4H2O	C3H2	H2O

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