Ojima:KOX00280n

General Index

All Molecules KOX PR PBX COX

Ion Frequency

Prec.-Product

Neutral Loss

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Glu-Glu

IDs and Links
MassBank	Glu-Glu
CAS	3929-61-1
Keio ID	G043-

Top 10 Similar Molecules of Glu-Glu

Ranking	About scoring
T015+ Score:9.72 T014+ Score:9.72 A204+ Score:7.77 M025+ Score:7.77 G006+ Score:7.77 E056+ Score:7.77 D183+ Score:7.77 D061+ Score:7.77 D038+ Score:7.77 T020+ Score:7.77	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 C5H7N2O2:   T014+  T015+  I014+   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 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+

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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。

KOX00280n	275 C10H15N2O7	257 C10H13N2O6	146 C5H8NO4	128 C5H6NO3	127 C5H7N2O2	102 C4H8NO2	84 C4H6NO	42 CNO
275 C10H15N2O7
257 C10H13N2O6	H2O
146 C5H8NO4	C5H7NO3	C5H5NO2
128 C5H6NO3	C5H9NO4	C5H7NO3	H2O
127 C5H7N2O2	C5H8O5	C5H6O4
102 C4H8NO2	C6H7NO5	C6H5NO4	CO2
84 C4H6NO	C6H9NO6	C6H7NO5	CH2O3	CO2	CHNO	H2O
42 CNO	C9H15NO6	C9H13NO5	C4H8O3	C4H6O2	C4H7NO	C3H8O	C3H6

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