Ojima:KNA00046p

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
A016+ Score:30.77 F025+ Score:24.38 P032+ Score:20.1 A039+ Score:19 A017+ Score:19 G037+ Score:17.15 A064+ Score:13.46 C015+ Score:13.46 M115+ Score:11.32 E008+ Score:10.63	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 C4H9N2O3:   A016+  G037+   Pages Related to Peak C4H6NO3:   A016+  A017+  A039+  F025+  P032+   Pages Related to Peak C4H7N2O2:   F025+  G037+  P039+  G039+  M115+  P061+   Pages Related to Peak C4H4NO2:   P032+  E008+  M115+   Pages Related to Peak C3H6NO2:   A016+  A017+  A039+  C015+  F025+  S002+  X004+  A064+  C044+  D037+  P060+   Pages Related to Peak C3H7N2O:   A016+  D173+  G037+  C008+  A155+   Pages Related to Peak C2H4NO2:   A016+  A017+  A032+  A039+  A065+  A127+  A140+  B018+  C015+  C094+  F025+  F034+  G018+  G061+  H002+  H048+  H064+  L004+  M003+  M114+  P032+  T003+  T020+  A064+  B026+  D038+  E056+  H050+  K004+   Pages Related to Peak C3H4NO:   A016+  A017+  A039+  C015+  F025+  P032+  S002+  A064+  D037+  E008+  P060+  U006+  A155+

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。

KNA00046p	133 C4H9N2O3	116 C4H6NO3	115 C4H7N2O2	98 C4H4NO2	88 C3H6NO2	87 C3H7N2O	74 C2H4NO2	70 C3H4NO
133 C4H9N2O3
116 C4H6NO3	H3N
115 C4H7N2O2	H2O
98 C4H4NO2	H5NO	H2O	H3N
88 C3H6NO2	CH3NO	CO	CHN
87 C3H7N2O	CH2O2		CO
74 C2H4NO2	C2H5NO	C2H2O	C2H3N	C2	CH2
70 C3H4NO	CH5NO2	CH2O2	CH3NO	CO	H2O	H3N

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