Ojima:KOX00427p

General Index

All Molecules KOX PR PBX COX

Ion Frequency

Prec.-Product

Neutral Loss

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3-Methylguanine

IDs and Links
MassBank	3-Methylguanine
CAS	2958-98-7
Keio ID	M042+

Top 10 Similar Molecules of 3-Methylguanine

Ranking	About scoring
M042+ Score:41.86 M043+ Score:35.63 A237+ Score:24.02 D183+ Score:13.71 P081+ Score:13.45 P049+ Score:13.45 F014+ Score:13.45 T027+ Score:12.4 M030+ Score:12.4 H014+ Score:12.4	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 C6H8N5O:   M042+  M043+   Pages Related to Peak C6H5N4O:   M042+  M043+   Pages Related to Peak C5H6N3O:   A237+  M042+  M043+  T029+  D183+  P098+   Pages Related to Peak C5H5N4:   F014+  M042+  M043+  P036+  P049+  P081+   Pages Related to Peak C4H3N3O:   A237+  M042+   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 C3H5N2:   A133+  A237+  C033+  C119+  D055+  H014+  M042+  M043+  T029+  Z001+  C028+  D183+  H025+  I046+  M030+  P084+  P095+  T027+  T123+   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+

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。

KOX00427p	166 C6H8N5O	149 C6H5N4O	124 C5H6N3O	121 C5H5N4	109 C4H3N3O	94 C4H4N3	69 C3H5N2	67 C3H3N2
166 C6H8N5O
149 C6H5N4O	H3N
124 C5H6N3O	CH2N2
121 C5H5N4	CH3NO	CO
109 C4H3N3O	C2H5N2	C2H2N	CH3
94 C4H4N3	C2H4N2O	C2HNO	CH2O	CHN
69 C3H5N2	C3H3N3O	C3N2O	C2HNO	C2N2
67 C3H3N2	C3H5N3O	C3H2N2O	C2H3NO	C2H2N2	CNO	CHN	H2

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