Ojima:KOX00258n

General Index

All Molecules KOX PR PBX COX

Ion Frequency

Prec.-Product

Neutral Loss

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D-Glu

IDs and Links
MassBank	D-Glu
CAS	6893-26-1
Keio ID	G005-

Top 10 Similar Molecules of D-Glu

Ranking	About scoring
E056+ Score:7.93 D038+ Score:7.93 T020+ Score:7.93 M114+ Score:7.93 M003+ Score:7.93 G018+ Score:7.93 F034+ Score:7.93 C094+ Score:7.93 A065+ Score:7.93 A204+ Score:4	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 C4H8NO2:   A031+  A065+  C094+  E005+  F034+  G005+  G018+  G019+  G043+  M003+  M114+  O008+  P092+  R016+  T010+  T020+  A020+  A239+  B090+  D038+  D061+  D183+  E056+  G006+  H003+  M025+  A204+   Pages Related to Peak C2H4NO2:   A016+  A017+  A032+  A039+  A065+  A127+  A140+  B018+  C015+  C094+  F025+  F034+  G018+  G061+  H002+  H048+  H064+  L004+  M003+  M114+  P032+  T003+  T020+  A064+  B026+  D038+  E056+  H050+  K004+

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。

KOX00258n	146 C5H8NO4	128 C5H6NO3	102 C4H8NO2	74 C2H4NO2	69 C3HO2	59 C2H3O2	45 CHO2
146 C5H8NO4
128 C5H6NO3	H2O
102 C4H8NO2	CO2
74 C2H4NO2	C3H4O2	C3H2O	C2H4
69 C3HO2	C2H7NO2	C2H5NO	CH7N
59 C2H3O2	C3H5NO2	C3H3NO	C2H5N	HN
45 CHO2	C4H7NO2	C4H5NO	C3H7N	CH3N	C2	CH2

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