MassBank:KOX00842p

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Ion Frequency

Prec.-Product

Neutral Loss

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Phosphonoacetate

IDs and Links
MassBank	Phosphonoacetate
CAS	4408-78-0
Keio ID	P082+

Top 10 Similar Molecules of Phosphonoacetate

Ranking	About scoring
KOX00185p Score:32.38 KOX00489p Score:32.1 KOX00821p Score:25.46 KOX00496p Score:25.46 KOX00211p Score:15.58 KOX00045p Score:15.58 KOX00907p Score:14.02 KOX00218p Score:14.02 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 C2H6O5P:   KOX00185p  KOX00489p  KOX00496p  KOX00821p   Pages Related to Peak C2H4O4P:   KOX00185p  KOX00489p  KOX00496p  KOX00821p   Pages Related to Peak C2H2O3P:   KOX00489p   Pages Related to Peak H4O4P:   KOX00185p  KOX00218p  KOX00241p  KOX00256p  KOX00272p  KOX00447p  KOX00489p  KOX00496p  KOX00501p  KOX00573p  KOX00611p  KOX00736p  KOX00741p  KOX00774p  KOX00821p  KOX00833p  KOX00838p  KOX00907p   Pages Related to Peak CH4O3P:   KOX00109p  KOX00185p   Pages Related to Peak H2O3P:   KOX00045p  KOX00075p  KOX00185p  KOX00211p  KOX00218p  KOX00256p  KOX00447p  KOX00489p  KOX00496p  KOX00573p  KOX00736p  KOX00741p  KOX00774p  KOX00821p  KOX00833p  KOX00838p  KOX00843p  KOX00907p   Pages Related to Peak H2O2P:   KOX00045p  KOX00185p  KOX00211p   Pages Related to Peak O2P:   KOX00045p  KOX00211p  KOX00218p  KOX00489p  KOX00496p  KOX00821p  KOX00907p

Annotations

Precursor	Product	Comments
C2H6O5P (141)	C2H4O4P (123)	-H2O
C2H6O5P (141)	H4O4P (99)	x
C2H6O5P (141)	CH4O3P (95)	b
C2H6O5P (141)	H2O3P (81)	a

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。

KOX00842p	141 C2H6O5P	123 C2H4O4P	105 C2H2O3P	99 H4O4P	95 CH4O3P	81 H2O3P	77 CH2O2P	65 H2O2P	63 O2P
141 C2H6O5P
123 C2H4O4P	H2O
105 C2H2O3P	H4O2	H2O
99 H4O4P	C2H2O	C2
95 CH4O3P	CH2O2	CO
81 H2O3P	C2H4O2	C2H2O	C2	H2O	CH2
77 CH2O2P	CH4O3	CH2O2	CO		H2O
65 H2O2P	C2H4O3	C2H2O2	C2O	H2O2	CH2O	O	C
63 O2P	C2H6O3	C2H4O2	C2H2O	H4O2	CH4O	H2O	CH2	H2

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