Ojima:PR100379p

General Index

All Molecules KOX PR PBX COX

Ion Frequency

Prec.-Product

Neutral Loss

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alpha-Methyl-DL-histidine

IDs and Links
MassBank	alpha-Methyl-DL-histidine
CAS	587-20-2
Keio ID

Top 10 Similar Molecules of alpha-Methyl-DL-histidine

Ranking	About scoring
M077+ Score:25.64 H069+ Score:25.3 A140+ Score:20.39 M076+ Score:14.44 H002+ Score:14.11 D183+ Score:10.97 I053+ Score:9.67 H058+ Score:9.67 A073+ Score:9.67 G101+ Score:9.08	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 C6H10N3:   A140+  H069+  M077+   Pages Related to Peak C6H7N2:   A042+  B072+  D166+  G101+  D183+  H069+  M077+   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 C4H7N2:   A073+  A093+  A140+  C012+  D131+  E011+  G117+  H002+  H013+  C028+  E007+  H058+  H069+  I053+  M029+  M076+  M077+  M124+  P084+  T027+   Pages Related to Peak C4H6N2:   A073+  H002+  H058+  H069+  I053+  M033+   Pages Related to Peak C5H6N:   A042+  A220+  B072+  D057+  E012+  G101+  I050+  N004+  P053+  P094+  R016+  S079+  A068+  B026+  D180+  G021+  G046+  H050+  H097+  I017+  I051+  M013+  M063+  N001+  N016+  P035+  P041+  P079+  P183+  S016+  M022+  N044+

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。

PR100379p	170 C7H12N3O2	124 C6H10N3	107 C6H7N2	97 C5H9N2	83 C4H7N2	82 C4H6N2	80 C5H6N
170 C7H12N3O2
124 C6H10N3	CH2O2
107 C6H7N2	CH5NO2	H3N
97 C5H9N2	C2H3NO2	CHN
83 C4H7N2	C3H5NO2	C2H3N	C2	CH2
82 C4H6N2	C3H6NO2	C2H4N	C2H	CH3	H
80 C5H6N	C2H6N2O2	CH4N2	CHN	H3N

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