Ojima:MT000027p

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
A032+ Score:21.8 E005+ Score:18.4 L027+ Score:11.48 P055+ Score:9.34 A127+ Score:5.94 S044+ Score:5.53 C043+ Score:5.53 N044+ Score:3.8 T122+ Score:3.8 T022+ Score:3.8	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 C7H15N2O3:   A032+  E005+   Pages Related to Peak C7H13N2O2:   A032+  E005+   Pages Related to Peak C6H13N2O:   A127+  E005+  L027+   Pages Related to Peak C6H10NO:   A032+  P055+  C043+  L027+  S044+   Pages Related to Peak C4H8N:   A032+  A039+  A110+  C013+  G037+  G117+  I008+  L007+  M067+  O003+  O009+  P003+  P055+  Z003+  A036+  A069+  A103+  A112+  B026+  B040+  D033+  G021+  H003+  H097+  O005+  P046+  P054+  P074+  P105+  T021+  T022+  T122+  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。

MT000027p	175 C7H15N2O3	157 C7H13N2O2	129 C6H13N2O	112 C6H10NO	70 C4H8N
175 C7H15N2O3
157 C7H13N2O2	H2O
129 C6H13N2O	CH2O2	CO
112 C6H10NO	CH5NO2	CH3NO	H3N
70 C4H8N	C3H7NO3	C3H5NO2	C2H5NO	C2H2O

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