Ojima:KOX00780p

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All Molecules KOX PR PBX COX

Ion Frequency

Prec.-Product

Neutral Loss

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3-Methyladenine

IDs and Links
MassBank	3-Methyladenine
CAS	5142-23-4
Keio ID	M030+

Top 10 Similar Molecules of 3-Methyladenine

Ranking	About scoring
M030+ Score:47.74 M110+ Score:32.77 M074+ Score:32.08 M051+ Score:20.19 D183+ Score:13.58 A237+ Score:13.58 H014+ Score:13.45 T027+ Score:9.71 T029+ Score:9.71 M035+ Score:9.4	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 C6H8N5:   M035+  M074+  M030+  M051+  M110+   Pages Related to Peak C6H5N4:   M074+  M030+  M110+   Pages Related to Peak C5H7N4:   M030+  M110+  T033+   Pages Related to Peak C4H5N4:   A007+  M074+  M030+  M051+  M110+   Pages Related to Peak C4H4N4:   M074+  M030+  M110+   Pages Related to Peak C4H6N3:   A237+  T029+  A203+  D183+  M030+  T027+   Pages Related to Peak C3H4N3:   A136+  C208+  G015+  H014+  M074+  M030+  M051+   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 C2H3N2:   A071+  A133+  A136+  A237+  C034+  C208+  E015+  G015+  G032+  H014+  H073+  M035+  M042+  M043+  M074+  M104+  O009+  Z002+  A104+  A225+  B026+  D082+  D183+  G039+  I063+  M030+  M032+  M051+  M110+  V020+  X012+

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。

KOX00780p	150 C6H8N5	133 C6H5N4	123 C5H7N4	109 C4H5N4	108 C4H4N4	96 C4H6N3	82 C3H4N3	69 C3H5N2	55 C2H3N2
150 C6H8N5
133 C6H5N4	H3N
123 C5H7N4	CHN
109 C4H5N4	C2H3N	C2	CH2
108 C4H4N4	C2H4N	C2H	CH3	H
96 C4H6N3	C2H2N2		CHN
82 C3H4N3	C3H4N2	C3HN	C2H3N	CHN	CN	CH2
69 C3H5N2	C3H3N3	C3N2	C2H2N2	CN2		CHN
55 C2H3N2	C4H5N3	C4H2N2	C3H4N2	C2H2N2	C2HN2	C2H3N	CHN	CH2

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