Ojima:KOX00287n

General Index

All Molecules KOX PR PBX COX

Ion Frequency

Prec.-Product

Neutral Loss

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Glucosaminate

IDs and Links
MassBank	Glucosaminate
CAS	3646-68-2
Keio ID	G061-

Top 10 Similar Molecules of Glucosaminate

Ranking	About scoring
E015+ Score:12.87 M115+ Score:12.58 P032+ Score:9.87 P028+ Score:6.23 E008+ Score:5.94 K004+ Score:3.93 H050+ Score:3.93 E056+ Score:3.93 D038+ Score:3.93 B026+ Score:3.93	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 C6H8NO4:   E015+   Pages Related to Peak C4H4NO2:   P032+  E008+  M115+   Pages Related to Peak C3H5O3:   E015+  P028+   Pages Related to Peak C3H4NO2:   M115+   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。

KOX00287n	194 C6H12NO6	158 C6H8NO4	98 C4H4NO2	89 C3H5O3	86 C3H4NO2	74 C2H4NO2	59 C2H3O2
194 C6H12NO6
158 C6H8NO4	H4O2
98 C4H4NO2	C2H8O4	C2H4O2
89 C3H5O3	C3H7NO3	C3H3NO
86 C3H4NO2	C3H8O4	C3H4O2	C
74 C2H4NO2	C4H8O4	C4H4O2	C2		C
59 C2H3O2	C4H9NO4	C4H5NO2	C2HN	CH2O	CHN	HN

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