Ojima:KOX00135n

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Ion Frequency

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Carnosine

IDs and Links
MassBank	Carnosine
CAS	305-84-0
Keio ID	C012-

Top 10 Similar Molecules of Carnosine

Ranking	About scoring
H013+ Score:14.17 H002+ Score:14.17 C012+ Score:14.17 A073+ Score:14.17 M074+ Score:13.61 T027+ Score:12.92 D183+ Score:12.92 M043+ Score:9.94 P098+ Score:9.61 C028+ Score:8.92	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 C4H4N3:   A007+  A071+  A237+  C033+  C119+  D055+  F014+  H014+  M035+  M042+  M043+  M054+  M074+  M104+  P075+  Z001+  Z002+  D067+  D069+  D082+  D183+  M030+  M051+  M110+  P049+  P081+  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+   Pages Related to Peak C4H3N2:   M043+  M074+  P098+

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。

KOX00135n	225 C9H13N4O3	179 C8H9N3O2	154 C6H8N3O2	110 C5H8N3	94 C4H4N3	93 C5H5N2	81 C4H5N2	80 C4H4N2	79 C4H3N2	59 C2H3O2
225 C9H13N4O3
179 C8H9N3O2	CH4NO
154 C6H8N3O2	C3H5NO	C2H
110 C5H8N3	C4H5NO3	C3HO2	CO2
94 C4H4N3	C5H9NO3	C4H5O2	C2H4O2	CH4
93 C5H5N2	C4H8N2O3	C3H4NO2	CH3NO2	H3N
81 C4H5N2	C5H8N2O3	C4H4NO2	C2H3NO2	CH3N		C
80 C4H4N2	C5H9N2O3	C4H5NO2	C2H4NO2	CH4N	N	CH	H
79 C4H3N2	C5H10N2O3	C4H6NO2	C2H5NO2	CH5N	HN	CH2	H2	H
59 C2H3O2	C7H10N4O	C6H6N3	C4H5N3

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