Ojima:KOX00011n

General Index

All Molecules KOX PR PBX COX

Ion Frequency

Prec.-Product

Neutral Loss

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Asn

IDs and Links
MassBank	Asn
CAS	70-47-3
Keio ID	A016-

Top 10 Similar Molecules of Asn

Ranking	About scoring
U006+ Score:10.92 D037+ Score:10.64 A155+ Score:10.23 A016+ Score:10.23 C033+ Score:6.63 G071+ Score:6.23 A166+ Score:5.94 M024+ Score:5.94 D083+ Score:5.94 E015+ Score:5.94	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 C4H5N2O2:   G071+  U006+   Pages Related to Peak C3H7N2O:   A016+  D173+  G037+  C008+  A155+   Pages Related to Peak C2H3N2O:   C033+   Pages Related to Peak C3H3O2:   A059+  E015+  D083+   Pages Related to Peak C3H4NO:   A016+  A017+  A039+  C015+  F025+  P032+  S002+  A064+  D037+  E008+  P060+  U006+  A155+   Pages Related to Peak C2H4NO:   D037+  M024+  A166+

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。

KOX00011n	131 C4H7N2O3	114 C4H4NO3	113 C4H5N2O2	87 C3H7N2O	72 C2H2NO2	71 C2H3N2O	71 C3H3O2	70 C3H4NO	58 C2H4NO	42 CNO
131 C4H7N2O3
114 C4H4NO3	H3N
113 C4H5N2O2	H2O
87 C3H7N2O	CO2
72 C2H2NO2	C2H5NO	C2H2O	C2H3N
71 C2H3N2O	C2H4O2		C2H2O	CH4
71 C3H3O2	CH4N2O	CHNO	CH2N2
70 C3H4NO	CH3NO2	CO2	CHNO	H3N
58 C2H4NO	C2H3NO2	C2O2	C2HNO	CH3N				C
42 CNO	C3H7NO2	C3H4O2	C3H5NO	C2H7N	CH2O	CH3N		C2H4	CH4

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