Ojima:KOX00015n

General Index

All Molecules KOX PR PBX COX

Ion Frequency

Prec.-Product

Neutral Loss

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N-Acetylneuraminate

IDs and Links
MassBank	N-Acetylneuraminate
CAS	131-48-6
Keio ID	A018-

Top 10 Similar Molecules of N-Acetylneuraminate

Ranking	About scoring
M082+ Score:9.37 M081+ Score:9.37 G051+ Score:9.37 G046+ Score:9.37 G021+ Score:9.37 G065+ Score:9.37 A191+ Score:9.37 A122+ Score:9.37 G062+ Score:6.64 B090+ 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 C11H18NO9:   G062+   Pages Related to Peak C6H8NO2:   A122+  A191+  E011+  G065+  E008+  G021+  G046+  G051+  M081+  M082+   Pages Related to Peak C5H8NO:   A065+  A110+  A122+  A191+  B019+  G065+  M067+  M159+  R016+  B026+  C043+  G021+  G046+  G051+  M081+  M082+  S044+   Pages Related to Peak C4H7O:   F008+  A224+  B090+

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。

KOX00015n	308 C11H18NO9	220 C8H14NO6	170 C7H8NO4	126 C6H8NO2	119 C4H7O4	98 C5H8NO	87 C3H3O3	71 C4H7O	59 C2H3O2
308 C11H18NO9
220 C8H14NO6	C3H4O3
170 C7H8NO4	C4H10O5	CH6O2
126 C6H8NO2	C5H10O7	C2H6O4	CO2
119 C4H7O4	C7H11NO5	C4H7NO2	C3HN
98 C5H8NO	C6H10O8	C3H6O5	C2O3	CO
87 C3H3O3	C8H15NO6	C5H11NO3	C4H5NO		CH4O
71 C4H7O	C7H11NO8	C4H7NO5	C3HNO3	C2HNO	O3	CHN
59 C2H3O2	C9H15NO7	C6H11NO4	C5H5NO2	C4H5N	C2H4O2		CO

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