Ojima:KNA00052p

総索引

分子リスト KOX PR PBX COX

イオン統計

前駆-生成イオン統計

中性脱離分子統計

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IDs and Links
MassBank	[1]
CAS
Keio ID

Top 10 Similar Molecules of

Ranking	About scoring
A039+ Score:25.23 A017+ Score:25.23 F025+ Score:19 A016+ Score:19 P032+ Score:14.15 A064+ Score:13.46 C015+ Score:13.46 P060+ Score:9.53 D037+ Score:9.53 S002+ Score:9.53	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 C4H8NO4:   A017+  A039+   Pages Related to Peak C4H6NO3:   A016+  A017+  A039+  F025+  P032+   Pages Related to Peak C3H6NO2:   A016+  A017+  A039+  C015+  F025+  S002+  X004+  A064+  C044+  D037+  P060+   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+

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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。

KNA00052p	134 C4H8NO4	116 C4H6NO3	88 C3H6NO2	74 C2H4NO2	70 C3H4NO
134 C4H8NO4
116 C4H6NO3	H2O
88 C3H6NO2	CH2O2	CO
74 C2H4NO2	C2H4O2	C2H2O	CH2
70 C3H4NO	CH4O3	CH2O2	H2O

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