Ojima:PR100341p

General Index

All Molecules KOX PR PBX COX

Ion Frequency

Prec.-Product

Neutral Loss

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1-Decanoyl-2-Hydroxy-sn-Glycero-3-Phosphocholine

IDs and Links
MassBank	1-Decanoyl-2-Hydroxy-sn-Glycero-3-Phosphocholine
CAS	22248-63-1
Keio ID

Top 10 Similar Molecules of 1-Decanoyl-2-Hydroxy-sn-Glycero-3-Phosphocholine

Ranking	About scoring
P074+ Score:37.88 G069+ Score:37.88 C044+ Score:15.13 P122+ Score:10.1 A060+ Score:9.18 C220+ Score:5.02 C041+ Score:5.02 A143+ Score:5.02 T020+ Score:5.02 A048+ Score:5.02	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 C5H15NO4P:   G069+  P074+   Pages Related to Peak C5H13NO3P:   P122+  G069+  P074+   Pages Related to Peak C2H6O4P:   G069+  P074+   Pages Related to Peak C5H14NO:   C044+  G069+  P074+   Pages Related to Peak H4O4P:   D017+  D141+  F008+  G003+  G020+  M080+  P007+  P029+  P033+  S049+  T065+  G021+  G069+  M011+  P028+  P060+  P074+  P082+  G030+   Pages Related to Peak C5H12N:   A053+  A145+  B018+  E015+  G071+  I008+  L003+  L006+  L007+  N014+  P032+  P122+  T112+  A060+  B040+  C032+  C044+  G069+  L034+  L057+  P034+  P074+  P192+   Pages Related to Peak C3H10N:   A048+  T020+  A060+  A143+  C041+  C044+  C220+  G069+  P074+

Annotations

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。

PR100341p	412 C18H39NO7P	394 C18H37NO6P	229 C13H25O3	184 C5H15NO4P	166 C5H13NO3P	125 C2H6O4P	104 C5H14NO	99 H4O4P	86 C5H12N	60 C3H10N
412 C18H39NO7P
394 C18H37NO6P	H2O
229 C13H25O3	C5H14NO4P	C5H12NO3P
184 C5H15NO4P	C13H24O3	C13H22O2
166 C5H13NO3P	C13H26O4	C13H24O3		H2O
125 C2H6O4P	C16H33NO3	C16H31NO2		C3H9N
104 C5H14NO	C13H25O6P	C13H23O5P		HO3P
99 H4O4P	C18H35NO3	C18H33NO2		C5H11N		C2H2
86 C5H12N	C13H27O7P	C13H25O6P		H3O4P	HO3P		H2O
60 C3H10N	C15H29O7P	C15H27O6P		C2H5O4P	C2H3O3P		C2H4O		C2H2

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