Ojima:PR100518n

General Index

All Molecules KOX PR PBX COX

Ion Frequency

Prec.-Product

Neutral Loss

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L-Carnosine

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

Top 10 Similar Molecules of L-Carnosine

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 U011+ Score:5.25 I066+ Score:5.25 G117+ 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 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+

Annotations

Precursor	Product	Comments
(0)	(0)	KOX00135

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。

PR100518n	225 C9H13N4O3	163 C8H11N4	154 C6H8N3O2	110 C5H8N3	93 C5H5N2	81 C4H5N2
225 C9H13N4O3
163 C8H11N4	CH2O3
154 C6H8N3O2	C3H5NO
110 C5H8N3	C4H5NO3	C3H3N	CO2
93 C5H5N2	C4H8N2O3	C3H6N2	CH3NO2	H3N
81 C4H5N2	C5H8N2O3	C4H6N2	C2H3NO2	CH3N	C

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