Ojima:KOX00184n

General Index

All Molecules KOX PR PBX COX

Ion Frequency

Prec.-Product

Neutral Loss

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2,3-Diphosphoglycerate

IDs and Links
MassBank	2,3-Diphosphoglycerate
CAS
Keio ID	D017-

Top 10 Similar Molecules of 2,3-Diphosphoglycerate

Ranking	About scoring
P082+ Score:5.54 P028+ Score:5.54 P029+ Score:5.54 P007+ Score:5.54 D017+ Score:5.54	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 C2H4O4P:   D017+  P007+  P029+  P028+  P082+

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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。

KOX00184n	265 C3H7O10P2	167 C3H4O6P	137 C2H2O5P	123 C2H4O4P	97 H2O4P	79 O3P	59 C2H3O2	45 CHO2
265 C3H7O10P2
167 C3H4O6P	H3O4P
137 C2H2O5P	CH5O5P	CH2O
123 C2H4O4P	CH3O6P	CO2
97 H2O4P	C3H5O6P	C3H2O2	C2O	C2H2
79 O3P	C3H7O7P	C3H4O3	C2H2O2	C2H4O	H2O
59 C2H3O2	CH4O8P2	CHO4P		HO2P
45 CHO2	C2H6O8P2	C2H3O4P	CHO3P	CH3O2P			CH2

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