MassBank:KOX00489p

総索引

分子リスト KOX PR PBX COX

イオン統計

前駆-生成イオン統計

中性脱離分子統計

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Phosphoenolpyruvate

IDs and Links
MassBank	Phosphoenolpyruvate
CAS	138-08-9
Keio ID	P007+

Top 10 Similar Molecules of Phosphoenolpyruvate

Ranking	About scoring
KOX00185p Score:32.79 KOX00842p Score:32.1 KOX00821p Score:31.4 KOX00496p Score:31.4 KOX00907p Score:14.02 KOX00218p Score:14.02 KOX00211p Score:9.63 KOX00045p Score:9.63 KOX00838p Score:8.77 KOX00833p 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:   KOX00185p  KOX00496p  KOX00821p   Pages Related to Peak C3H4O5P:   KOX00185p   Pages Related to Peak C2H6O5P:   KOX00185p  KOX00496p  KOX00821p  KOX00842p   Pages Related to Peak C2H4O4P:   KOX00185p  KOX00496p  KOX00821p  KOX00842p   Pages Related to Peak C2H2O3P:   KOX00842p   Pages Related to Peak H4O4P:   KOX00185p  KOX00218p  KOX00241p  KOX00256p  KOX00272p  KOX00447p  KOX00496p  KOX00501p  KOX00573p  KOX00611p  KOX00736p  KOX00741p  KOX00774p  KOX00821p  KOX00833p  KOX00838p  KOX00842p  KOX00907p   Pages Related to Peak H2O3P:   KOX00045p  KOX00075p  KOX00185p  KOX00211p  KOX00218p  KOX00256p  KOX00447p  KOX00496p  KOX00573p  KOX00736p  KOX00741p  KOX00774p  KOX00821p  KOX00833p  KOX00838p  KOX00842p  KOX00843p  KOX00907p   Pages Related to Peak O2P:   KOX00045p  KOX00211p  KOX00218p  KOX00496p  KOX00821p  KOX00842p  KOX00907p

Annotations

Precursor	Product	Comments
C3H6O6P (169)	C3H4O5P (151)	-H2O
C3H6O6P (169)	C2H6O5P (141)	x
C3H6O6P (169)	C2H4O4P (123)	a
C3H6O6P (169)	H4O4P (99)	c
C3H6O6P (169)	H2O3P (81)	c,-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。

KOX00489p	169 C3H6O6P	151 C3H4O5P	141 C2H6O5P	123 C2H4O4P	105 C2H2O3P	99 H4O4P	81 H2O3P	63 O2P
169 C3H6O6P
151 C3H4O5P	H2O
141 C2H6O5P	CO
123 C2H4O4P	CH2O2	CO	H2O
105 C2H2O3P	CH4O3	CH2O2	H4O2	H2O
99 H4O4P	C3H2O2	C3O	C2H2O	C2
81 H2O3P	C3H4O3	C3H2O2	C2H4O2	C2H2O	C2	H2O
63 O2P	C3H6O4	C3H4O3	C2H6O3	C2H4O2	C2H2O	H4O2	H2O

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