Ojima:KOX00829p

General Index

All Molecules KOX PR PBX COX

Ion Frequency

Prec.-Product

Neutral Loss

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Purine

IDs and Links
MassBank	Purine
CAS	120-73-0
Keio ID	P049+

Top 10 Similar Molecules of Purine

Ranking	About scoring
P049+ Score:30.47 P081+ Score:17.2 M043+ Score:13.45 M042+ Score:13.45 F014+ Score:13.45 M110+ Score:11.81 M030+ Score:11.81 M104+ Score:11.81 M074+ Score:11.81 A237+ Score:11.81	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 C5H5N4:   F014+  M042+  M043+  P036+  P049+  P081+   Pages Related to Peak C4H4N3:   A007+  A071+  A237+  C033+  C119+  D055+  F014+  H014+  M035+  M042+  M043+  M054+  M074+  M104+  P075+  Z001+  Z002+  D067+  D069+  D082+  D183+  M030+  M051+  M110+  P049+  P081+  T027+   Pages Related to Peak C3H3N2:   A007+  A071+  A136+  A237+  C119+  D055+  F014+  H014+  M035+  M042+  M043+  M054+  M074+  M104+  Z002+  C028+  D067+  D069+  D082+  M030+  M110+  M124+  P049+  P081+  T027+   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 CH3N2:   P049+   Pages Related to Peak C2H2N:   P049+

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。

KOX00829p	121 C5H5N4	94 C4H4N3	67 C3H3N2	52 C3H2N	43 CH3N2	40 C2H2N
121 C5H5N4
94 C4H4N3	CHN
67 C3H3N2	C2H2N2	CHN
52 C3H2N	C2H3N3	CH2N2	HN
43 CH3N2	C4H2N2	C3HN	C2
40 C2H2N	C3H3N3	C2H2N2	CHN	C

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