MassBank:KOX00185p

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
KOX00489p Score:32.79 KOX00842p Score:32.38 KOX00821p Score:26.15 KOX00496p Score:26.15 KOX00211p Score:10.33 KOX00045p Score:10.33 KOX00907p Score:8.77 KOX00838p Score:8.77 KOX00833p Score:8.77 KOX00774p Score:8.77	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 C3H6O6P:   KOX00489p  KOX00496p  KOX00821p   Pages Related to Peak C3H4O5P:   KOX00489p   Pages Related to Peak C2H6O5P:   KOX00489p  KOX00496p  KOX00821p  KOX00842p   Pages Related to Peak C2H4O4P:   KOX00489p  KOX00496p  KOX00821p  KOX00842p   Pages Related to Peak H4O4P:   KOX00218p  KOX00241p  KOX00256p  KOX00272p  KOX00447p  KOX00489p  KOX00496p  KOX00501p  KOX00573p  KOX00611p  KOX00736p  KOX00741p  KOX00774p  KOX00821p  KOX00833p  KOX00838p  KOX00842p  KOX00907p   Pages Related to Peak CH4O3P:   KOX00109p  KOX00842p   Pages Related to Peak H2O3P:   KOX00045p  KOX00075p  KOX00211p  KOX00218p  KOX00256p  KOX00447p  KOX00489p  KOX00496p  KOX00573p  KOX00736p  KOX00741p  KOX00774p  KOX00821p  KOX00833p  KOX00838p  KOX00842p  KOX00843p  KOX00907p   Pages Related to Peak H2O2P:   KOX00045p  KOX00211p  KOX00842p

Annotations

Precursor	Product	Comments
C3H9O10P2 (267)	C3H7O9P2 (249)	-H2O
C3H9O10P2 (267)	C2H9O9P2 (239)	x
C3H9O10P2 (267)	C3H6O6P (169)	b[e]
C3H9O10P2 (267)	H4O4P (99)	a[f]
C3H9O10P2 (267)	H2O3P (81)	a,-H2O[f,-H2O]

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。

KOX00185p	267 C3H9O10P2	249 C3H7O9P2	239 C2H9O9P2	223 CH5O9P2	207 C2H8O9P	193 CH6O9P	169 C3H6O6P	151 C3H4O5P	141 C2H6O5P	123 C2H4O4P	99 H4O4P	95 CH4O3P	81 H2O3P	65 H2O2P
267 C3H9O10P2
249 C3H7O9P2	H2O
239 C2H9O9P2	CO
223 CH5O9P2	C2H4O	C2H2	CH4
207 C2H8O9P	CHOP		HP
193 CH6O9P	C2H3OP	C2HP	CH3P		CH2
169 C3H6O6P	H3O4P	HO3P
151 C3H4O5P	H5O5P	H3O4P					H2O
141 C2H6O5P	CH3O5P	CHO4P	H3O4P		H2O4		CO
123 C2H4O4P	CH5O6P	CH3O5P	H5O5P		H4O5		CH2O2	CO	H2O
99 H4O4P	C3H5O6P	C3H3O5P	C2H5O5P	CHO5P	C2H4O5	CH2O5	C3H2O2	C3O	C2H2O	C2
95 CH4O3P	C2H5O7P	C2H3O6P	CH5O6P	HO6P	CH4O6	H2O6	C2H2O3	C2O2	CH2O2	CO
81 H2O3P	C3H7O7P	C3H5O6P	C2H7O6P	CH3O6P	C2H6O6	CH4O6	C3H4O3	C3H2O2	C2H4O2	C2H2O	H2O	CH2
65 H2O2P	C3H7O8P	C3H5O7P	C2H7O7P	CH3O7P	C2H6O7	CH4O7	C3H4O4	C3H2O3	C2H4O3	C2H2O2	H2O2	CH2O	O

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