Ojima:KOX00307n

General Index

All Molecules KOX PR PBX COX

Ion Frequency

Prec.-Product

Neutral Loss

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His

IDs and Links
MassBank	His
CAS	71-00-1
Keio ID	H002-

Top 10 Similar Molecules of His

Ranking	About scoring
U011+ Score:11.2 I066+ Score:11.2 H013+ Score:10.5 H002+ Score:10.5 C012+ Score:10.5 A073+ Score:10.5 T027+ Score:9.32 C028+ Score:9.32 P068+ Score:5.94 D183+ 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 C6H5N2O:   I066+  P068+  U011+   Pages Related to Peak C5H8N3:   A073+  C012+  G117+  H002+  H013+  C028+  T027+   Pages Related to Peak C5H5N2:   A073+  C012+  H002+  H013+  I066+  U011+  D183+   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。

KOX00307n	154 C6H8N3O2	136 C6H6N3O	121 C6H5N2O	110 C5H8N3	93 C5H5N2	67 C3H3N2	59 C2H3O2	45 CHO2
154 C6H8N3O2
136 C6H6N3O	H2O
121 C6H5N2O	H3NO	HN
110 C5H8N3	CO2
93 C5H5N2	CH3NO2	CHNO	CO	H3N
67 C3H3N2	C3H5NO2	C3H3NO	C3H2O	C2H5N	C2H2
59 C2H3O2	C4H5N3
45 CHO2	C5H7N3						CH2

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