Ojima:KOX00845p

General Index

All Molecules KOX PR PBX COX

Ion Frequency

Prec.-Product

Neutral Loss

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Pyrazole

IDs and Links
MassBank	Pyrazole
CAS	288-13-1
Keio ID	P095+

Top 10 Similar Molecules of Pyrazole

Ranking	About scoring
I046+ Score:10.05 P095+ Score:8.08 M030+ Score:8.08 H025+ Score:8.08 C033+ Score:8.08 A237+ Score:8.08 T051+ Score:5.72 S011+ Score:5.72 S014+ Score:5.72 T123+ Score:4.33	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 C3H5N2:   A133+  A237+  C033+  C119+  D055+  H014+  M042+  M043+  T029+  Z001+  C028+  D183+  H025+  I046+  M030+  P084+  P095+  T027+  T123+   Pages Related to Peak C3H2N:   A042+  A140+  A237+  B007+  C033+  G101+  H015+  M074+  M104+  N004+  P094+  U011+  C089+  E008+  F013+  F048+  H021+  H025+  H069+  I014+  M030+  M110+  M124+  M172+  N001+  P036+  P045+  P049+  P057+  P079+  P081+  P095+  P098+  P099+  Q001+   Pages Related to Peak C2H4N:   S014+  I046+  S011+  T051+

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。

KOX00845p	69 C3H5N2	52 C3H2N	42 C2H4N	41 C2H3N
69 C3H5N2
52 C3H2N	H3N
42 C2H4N	CHN
41 C2H3N	CH2N		H

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