Ojima:KOX00016p

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
A018+ Score:63.94 G062+ Score:41.17 A204+ Score:8.27 M081+ Score:8.27 G051+ Score:8.27 G046+ Score:8.27 R016+ Score:8.27 G065+ Score:8.27 A191+ Score:8.27 T051+ Score:4.49	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 C11H20NO9:   A018+   Pages Related to Peak C11H18NO8:   A018+   Pages Related to Peak C11H16NO7:   A018+   Pages Related to Peak C11H14NO6:   A018+   Pages Related to Peak C9H14NO6:   A018+  G062+   Pages Related to Peak C9H9O5:   A018+  G062+   Pages Related to Peak C9H7O4:   A018+  G062+   Pages Related to Peak C8H7O4:   A018+  G062+   Pages Related to Peak C8H7O3:   A018+  G062+   Pages Related to Peak C7H5O2:   A018+  G062+   Pages Related to Peak C4H6NO:   A031+  A122+  A191+  E005+  F034+  G005+  G018+  G019+  G043+  G062+  G065+  G117+  L016+  M114+  O008+  P092+  R016+  T010+  T014+  T015+  T020+  D038+  D061+  D183+  E056+  G006+  G021+  G046+  G051+  M025+  M081+  M082+  S044+  A204+   Pages Related to Peak C2H6NO:   A016+  A138+  A191+  G065+  R016+  S002+  A051+  D033+  D078+  G046+  G051+  H069+  M033+  M081+  T051+  A204+

Annotations

Precursor	Product	Comments
C8H7O4 (167)	C7H5O2*** (121)	IT

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。

KOX00016p	310 C11H20NO9	292 C11H18NO8	274 C11H16NO7	256 C11H14NO6	232 C9H14NO6	197 C9H9O5	179 C9H7O4	167 C8H7O4	151 C8H7O3	121 C7H5O2	84 C4H6NO	73 C3H7NO	60 C2H6NO
310 C11H20NO9
292 C11H18NO8	H2O
274 C11H16NO7	H4O2	H2O
256 C11H14NO6	H6O3	H4O2	H2O
232 C9H14NO6	C2H6O3	C2H4O2	C2H2O	C2
197 C9H9O5	C2H11NO4	C2H9NO3	C2H7NO2	C2H5NO	H5NO
179 C9H7O4	C2H13NO5	C2H11NO4	C2H9NO3	C2H7NO2	H7NO2	H2O
167 C8H7O4	C3H13NO5	C3H11NO4	C3H9NO3	C3H7NO2	CH7NO2	CH2O	C
151 C8H7O3	C3H13NO6	C3H11NO5	C3H9NO4	C3H7NO3	CH7NO3	CH2O2	CO	O
121 C7H5O2	C4H15NO7	C4H13NO6	C4H11NO5	C4H9NO4	C2H9NO4	C2H4O3	C2H2O2	CH2O2	CH2O
84 C4H6NO	C7H14O8	C7H12O7	C7H10O6	C7H8O5	C5H8O5
73 C3H7NO	C8H13O8	C8H11O7	C8H9O6	C8H7O5	C6H7O5
60 C2H6NO	C9H14O8	C9H12O7	C9H10O6	C9H8O5	C7H8O5						C2	CH

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