Ojima:PR100321p

General Index

All Molecules KOX PR PBX COX

Ion Frequency

Prec.-Product

Neutral Loss

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L-Histidine

IDs and Links
MassBank	L-Histidine
CAS	71-00-1
Keio ID

Top 10 Similar Molecules of L-Histidine

Ranking	About scoring
H013+ Score:20.32 H002+ Score:20.32 C012+ Score:20.32 A073+ Score:20.32 T027+ Score:9.53 C028+ Score:9.53 G117+ Score:9.53 [[Ojima:C16H18N4O7S|]] Score:5.53 D183+ Score:5.25 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 C6H10N3O2:   A073+  C012+  H002+  H013+  [[Ojima:TestData_Bensulfuron-methyl|]]   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 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)	KOX00308

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。

PR100321p	156 C6H10N3O2	110 C5H8N3	93 C5H5N2	83 C4H7N2
156 C6H10N3O2
110 C5H8N3	CH2O2
93 C5H5N2	CH5NO2	H3N
83 C4H7N2	C2H3NO2	CHN

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