Ojima:KOX00101n

General Index

All Molecules KOX PR PBX COX

Ion Frequency

Prec.-Product

Neutral Loss

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N-Acetylmuramate

IDs and Links
MassBank	N-Acetylmuramate
CAS	61633-75-8
Keio ID	A191-

Top 10 Similar Molecules of N-Acetylmuramate

Ranking	About scoring
M115+ Score:6.63 A018+ Score:6.63 P028+ Score:6.23 E015+ Score:6.23 C013+ Score:6.23 B019+ Score:6.23 A166+ Score:5.94 M024+ Score:5.94 D037+ Score:5.94 M169+ Score:4.76	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 C11H18NO8:   A018+   Pages Related to Peak C6H8NO3:   B019+  C013+   Pages Related to Peak C3H5O3:   E015+  P028+   Pages Related to Peak C4H4O:   M115+   Pages Related to Peak C2H4NO:   D037+  M024+  A166+   Pages Related to Peak C3H3O:   A110+  A138+  C015+  C127+  D173+  G015+  G062+  I025+  O008+  P092+  A052+  M169+

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。

KOX00101n	292 C11H18NO8	202 C8H12NO5	142 C6H8NO3	89 C3H5O3	83 C4H5NO	68 C4H4O	58 C2H4NO	55 C3H3O
292 C11H18NO8
202 C8H12NO5	C3H6O3
142 C6H8NO3	C5H10O5	C2H4O2
89 C3H5O3	C8H13NO5	C5H7NO2	C3H3N
83 C4H5NO	C7H13O7	C4H7O4	C2H3O2
68 C4H4O	C7H14NO7	C4H8NO4	C2H4NO2		HN
58 C2H4NO	C9H14O7	C6H8O4	C4H4O2		C2H
55 C3H3O	C8H15NO7	C5H9NO4	C3H5NO2	H2O2	CH2N	CH

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