Ojima:KOX00085n

General Index

All Molecules KOX PR PBX COX

Ion Frequency

Prec.-Product

Neutral Loss

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Anserine

IDs and Links
MassBank	Anserine
CAS	584-85-0
Keio ID	A140-

Top 10 Similar Molecules of Anserine

Ranking	About scoring
A166+ Score:5.94 M024+ Score:5.94 D037+ Score:5.94 A155+ Score:5.54 C008+ Score:5.54 G037+ Score:5.54 D173+ Score:5.54 A016+ Score:5.54 M077+ Score:5.25 H069+ Score:5.25	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 C6H7N2:   A042+  B072+  D166+  G101+  D183+  H069+  M077+   Pages Related to Peak C3H7N2O:   A016+  D173+  G037+  C008+  A155+   Pages Related to Peak C2H4NO:   D037+  M024+  A166+

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。

KOX00085n	239 C10H15N4O3	168 C7H10N3O2	151 C7H7N2O2	107 C6H7N2	87 C3H7N2O	58 C2H4NO
239 C10H15N4O3
168 C7H10N3O2	C3H5NO
151 C7H7N2O2	C3H8N2O	H3N
107 C6H7N2	C4H8N2O3	CH3NO2	CO2
87 C3H7N2O	C7H8N2O2	C4H3NO	C4O
58 C2H4NO	C8H11N3O2	C5H6N2O	C5H3NO		CH3N

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