Ojima:PR100495n

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
T027+ Score:14.86 H013+ Score:14.17 H002+ Score:14.17 C012+ Score:14.17 A073+ Score:14.17 P036+ Score:12.58 M029+ Score:9.61 D183+ Score:8.92 C028+ Score:8.92 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 C5H8N3:   A073+  C012+  G117+  H002+  H013+  C028+  T027+   Pages Related to Peak C5H6N3:   M029+  P036+  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+   Pages Related to Peak C4H4N2:   P036+

Annotations

Precursor	Product	Comments
(0)	(0)	KOX00307

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。

PR100495n	154 C6H8N3O2	137 C6H5N2O2	136 C6H6N3O	110 C5H8N3	108 C5H6N3	93 C5H5N2	81 C4H5N2	80 C4H4N2	72 C2H2NO2
154 C6H8N3O2
137 C6H5N2O2	H3N
136 C6H6N3O	H2O
110 C5H8N3	CO2
108 C5H6N3	CH2O2		CO	H2
93 C5H5N2	CH3NO2	CO2	CHNO	H3N	HN
81 C4H5N2	C2H3NO2	C2O2	C2HNO	CH3N	CHN	C
80 C4H4N2	C2H4NO2	C2HO2	C2H2NO	CH4N	CH2N	CH	H
72 C2H2NO2	C4H6N2	C4H3N

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