MassBank:KOX00838p

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All Molecules KOX PR PBX COX

Ion Frequency

Prec.-Product

Neutral Loss

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Phosphorylcholine

IDs and Links
MassBank	Phosphorylcholine
CAS	107-73-3
Keio ID	P074+

Top 10 Similar Molecules of Phosphorylcholine

Ranking	About scoring
KOX00741p Score:50.06 KOX00688p Score:28.37 KOX00364p Score:14.6 KOX00644p Score:12.92 KOX00736p Score:12.6 KOX00679p Score:11.62 KOX00856p Score:10.77 KOX00539p Score:10.42 KOX00648p Score:10.41 KOX00907p 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。

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Annotations

Precursor	Product	Comments
C5H15NO4P (184)	C5H13NO3P (166)	f
C5H15NO4P (184)	C2H6O4P (125)	a
C5H15NO4P (184)	C5H14NO (104)	e
C5H15NO4P (184)	H4O4P (99)	b
C5H15NO4P (184)	C5H12N (86)	c
C5H15NO4P (184)	H2O3P (81)	b,-H2O
C5H15NO4P (184)	C3H10N (60)	d

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。

KOX00838p	184 C5H15NO4P	166 C5H13NO3P	125 C2H6O4P	104 C5H14NO	99 H4O4P	86 C5H12N	81 H2O3P	71 C4H9N	70 C4H8N	60 C3H10N	58 C3H8N	56 C3H6N
184 C5H15NO4P
166 C5H13NO3P	H2O
125 C2H6O4P	C3H9N
104 C5H14NO	HO3P
99 H4O4P	C5H11N		C2H2
86 C5H12N	H3O4P	HO3P		H2O
81 H2O3P	C5H13NO	C5H11N	C2H4O		H2O
71 C4H9N	CH6O4P	CH4O3P		CH5O		CH3
70 C4H8N	CH7O4P	CH5O3P		CH6O		CH4		H
60 C3H10N	C2H5O4P	C2H3O3P		C2H4O		C2H2
58 C3H8N	C2H7O4P	C2H5O3P		C2H6O		C2H4		CH	C	H2
56 C3H6N	C2H9O4P	C2H7O3P		C2H8O		C2H6		CH3	CH2	H4	H2

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