Ojima:KOX00312n

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All Molecules KOX PR PBX COX

Ion Frequency

Prec.-Product

Neutral Loss

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Homocarnosine

IDs and Links
MassBank	Homocarnosine
CAS	3650-73-5
Keio ID	H013-

Top 10 Similar Molecules of Homocarnosine

Ranking	About scoring
H013+ Score:14.17 H002+ Score:14.17 C012+ Score:14.17 A073+ Score:14.17 T027+ Score:8.92 D183+ Score:8.92 C028+ Score:8.92 P157+ Score:6.63 P036+ Score:6.63 U011+ 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 C9H15N4O:   P157+   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 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+

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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。

KOX00312n	239 C10H15N4O3	195 C9H15N4O	154 C6H8N3O2	110 C5H8N3	93 C5H5N2	81 C4H5N2	80 C4H4N2	42 CNO
239 C10H15N4O3
195 C9H15N4O	CO2
154 C6H8N3O2	C4H7NO
110 C5H8N3	C5H7NO3	C4H7NO	CO2
93 C5H5N2	C5H10N2O3	C4H10N2O	CH3NO2	H3N
81 C4H5N2	C6H10N2O3	C5H10N2O	C2H3NO2	CH3N	C
80 C4H4N2	C6H11N2O3	C5H11N2O	C2H4NO2	CH4N	CH	H
42 CNO	C9H15N3O2	C8H15N3	C5H8N2O

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