Ojima:KOX00055n

General Index

All Molecules KOX PR PBX COX

Ion Frequency

Prec.-Product

Neutral Loss

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N-Acetylhistidine

IDs and Links
MassBank	N-Acetylhistidine
CAS	2497-02-1
Keio ID	A073-

Top 10 Similar Molecules of N-Acetylhistidine

Ranking	About scoring
H013+ Score:14.17 H002+ Score:14.17 C012+ Score:14.17 A073+ Score:14.17 T027+ Score:12.99 C028+ Score:12.99 D183+ Score:8.92 M030+ Score:7.74 M074+ Score:7.74 M042+ Score:7.74	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 C5H8N3:   A073+  C012+  G117+  H002+  H013+  C028+  T027+   Pages Related to Peak C4H4NO2:   P032+  E008+  M115+   Pages Related to Peak C5H5N2:   A073+  C012+  H002+  H013+  I066+  U011+  D183+   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 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+   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。

KOX00055n	196 C8H10N3O3	154 C6H8N3O2	137 C6H5N2O2	110 C5H8N3	98 C4H4NO2	93 C5H5N2	81 C4H5N2	80 C4H4N2	67 C3H3N2	58 C2H4NO
196 C8H10N3O3
154 C6H8N3O2	C2H2O
137 C6H5N2O2	C2H5NO	H3N
110 C5H8N3	C3H2O3	CO2
98 C4H4NO2	C4H6N2O	C2H4N2	C2HN
93 C5H5N2	C3H5NO3	CH3NO2	CO2	H3N
81 C4H5N2	C4H5NO3	C2H3NO2	C2O2	CH3N		C
80 C4H4N2	C4H6NO3	C2H4NO2	C2HO2	CH4N		CH	H
67 C3H3N2	C5H7NO3	C3H5NO2	C3H2O2	C2H5N		C2H2	CH2	CH
58 C2H4NO	C6H6N2O2	C4H4N2O	C4HNO		C2O

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