Ojima:KO009272p

General Index

All Molecules KOX PR PBX COX

Ion Frequency

Prec.-Product

Neutral Loss

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IDs and Links
MassBank	[1]
CAS
Keio ID

Top 10 Similar Molecules of

Ranking	About scoring
T014+ Score:28.2 M110+ Score:11.95 I014+ Score:9.61 T015+ Score:9.61 H050+ Score:6.63 H048+ Score:5.72 G003+ Score:5.72 P042+ Score:3.66 M022+ Score:3.66 X012+ Score:3.66	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 C10H15N2O5:   T014+   Pages Related to Peak C10H13N2O4:   H050+   Pages Related to Peak C5H7N2O2:   T014+  T015+  I014+   Pages Related to Peak C5H9O3:   G003+  H048+  T014+  M110+   Pages Related to Peak C5H7O2:   T014+  M110+   Pages Related to Peak C4H5N2:   A073+  A093+  A140+  A237+  C012+  C077+  D055+  D131+  H002+  H013+  M035+  M042+  M074+  P075+  T014+  T015+  T029+  T056+  T057+  C028+  D183+  H025+  H058+  H069+  I014+  I053+  M029+  M030+  M033+  M076+  M077+  M126+  P098+  T027+  T033+  X012+  M022+  P042+

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。

KO009272p	243 C10H15N2O5	225 C10H13N2O4	127 C5H7N2O2	117 C5H9O3	99 C5H7O2	81 C4H5N2
243 C10H15N2O5
225 C10H13N2O4	H2O
127 C5H7N2O2	C5H8O3	C5H6O2
117 C5H9O3	C5H6N2O2	C5H4N2O
99 C5H7O2	C5H8N2O3	C5H6N2O2	N2	H2O
81 C4H5N2	C6H10O5	C6H8O4	CH2O2

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