Ojima:PR100391p

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
C012+ Score:55.98 H013+ Score:24.71 H002+ Score:24.71 A073+ Score:24.71 P068+ Score:10.61 M035+ Score:9.92 U011+ Score:9.63 T027+ Score:9.53 C028+ Score:9.53 G117+ Score:9.53	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 C9H15N4O3:   C012+   Pages Related to Peak C9H12N3O3:   A039+  C012+   Pages Related to Peak C8H13N4O:   C012+   Pages Related to Peak C8H10N3O:   C012+  P068+   Pages Related to Peak C6H10N3O2:   A073+  C012+  H002+  H013+  [[Ojima:TestData_Bensulfuron-methyl|]]   Pages Related to Peak C6H8N3:   C012+  C077+  M035+  T056+  T057+   Pages Related to Peak C5H8N3:   A073+  C012+  G117+  H002+  H013+  C028+  T027+   Pages Related to Peak C5H7N2:   A073+  A093+  A140+  C012+  C208+  D131+  H002+  H013+  M035+  P068+  U011+  B026+  H058+  H069+  I051+  M076+  M077+  P105+   Pages Related to Peak C5H5N2:   A073+  C012+  H002+  H013+  I066+  U011+  D183+   Pages Related to Peak C4H7N2:   A073+  A093+  A140+  C012+  D131+  E011+  G117+  H002+  H013+  C028+  E007+  H058+  H069+  I053+  M029+  M076+  M077+  M124+  P084+  T027+

Annotations

Precursor	Product	Comments
(0)	(0)	KOX00136

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。

PR100391p	227 C9H15N4O3	210 C9H12N3O3	181 C8H13N4O	164 C8H10N3O	156 C6H10N3O2	122 C6H8N3	110 C5H8N3	95 C5H7N2	93 C5H5N2	83 C4H7N2
227 C9H15N4O3
210 C9H12N3O3	H3N
181 C8H13N4O	CH2O2
164 C8H10N3O	CH5NO2	CH2O2	H3N
156 C6H10N3O2	C3H5NO	C3H2O
122 C6H8N3	C3H7NO3	C3H4O3	C2H5NO	C2H2O	H2O2
110 C5H8N3	C4H7NO3	C4H4O3	C3H5NO	C3H2O	CH2O2	C
95 C5H7N2	C4H8N2O3	C4H5NO3	C3H6N2O	C3H3NO	CH3NO2	CHN	HN
93 C5H5N2	C4H10N2O3	C4H7NO3	C3H8N2O	C3H5NO	CH5NO2	CH3N	H3N	H2
83 C4H7N2	C5H8N2O3	C5H5NO3	C4H6N2O	C4H3NO	C2H3NO2	C2HN	CHN	C

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