Ojima:PR100385p

General Index

All Molecules KOX PR PBX COX

Ion Frequency

Prec.-Product

Neutral Loss

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3-Methyl-L-histidine

IDs and Links
MassBank	3-Methyl-L-histidine
CAS	368-16-1
Keio ID

Top 10 Similar Molecules of 3-Methyl-L-histidine

Ranking	About scoring
M076+ Score:31.52 A140+ Score:31.52 M077+ Score:25.8 M022+ Score:21.42 P105+ Score:8.82 H069+ Score:8.82 B026+ Score:8.82 H002+ Score:8.82 D183+ Score:5.72 H073+ Score:5.72	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 C7H12N3O2:   A140+  D183+  M076+  M077+   Pages Related to Peak C6H12N3:   A140+  H073+  M076+  M022+   Pages Related to Peak C6H9N2:   A140+  M076+  M077+  P035+  M022+   Pages Related to Peak C5H9N2:   A032+  A140+  C013+  E011+  E015+  H002+  L006+  O009+  R041+  A069+  A104+  B026+  H069+  M076+  M077+  P105+  M022+   Pages Related to Peak C5H8N2:   A140+  M076+  M077+  M022+   Pages Related to Peak C5H7N2:   A073+  A093+  A140+  C012+  C208+  D131+  H002+  H013+  M035+  P068+  U011+  B026+  H058+  H069+  I051+  M076+  M077+  P105+

Annotations

Precursor	Product	Comments
(0)	(0)	KOX00791

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。

PR100385p	170 C7H12N3O2	126 C6H12N3	109 C6H9N2	97 C5H9N2	96 C5H8N2	95 C5H7N2
170 C7H12N3O2
126 C6H12N3	CO2
109 C6H9N2	CH3NO2	H3N
97 C5H9N2	C2H3NO2	CH3N	C
96 C5H8N2	C2H4NO2	CH4N	CH	H
95 C5H7N2	C2H5NO2	CH5N	CH2	H2	H

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