Ojima:KOX00061n

General Index

All Molecules KOX PR PBX COX

Ion Frequency

Prec.-Product

Neutral Loss

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Nw-Acetylhistamine

IDs and Links
MassBank	Nw-Acetylhistamine
CAS
Keio ID	A093-

Top 10 Similar Molecules of Nw-Acetylhistamine

Ranking	About scoring
C012+ Score:14.86 A073+ Score:14.86 D183+ Score:9.61 T027+ Score:8.91 C028+ Score:8.91 H013+ Score:8.91 H002+ Score:8.91 P036+ Score:6.63 A166+ Score:5.94 M024+ Score:5.94	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 C7H10N3O:   A073+  C012+  D183+   Pages Related to Peak C5H8N3:   A073+  C012+  G117+  H002+  H013+  C028+  T027+   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+   Pages Related to Peak C4H4N2:   P036+   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。

KOX00061n	152 C7H10N3O	110 C5H8N3	81 C4H5N2	80 C4H4N2	58 C2H4NO
152 C7H10N3O
110 C5H8N3	C2H2O
81 C4H5N2	C3H5NO	CH3N
80 C4H4N2	C3H6NO	CH4N	H
58 C2H4NO	C5H6N2

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