Ojima:KOX00686p

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All Molecules KOX PR PBX COX

Ion Frequency

Prec.-Product

Neutral Loss

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Carnitine

IDs and Links
MassBank	Carnitine
CAS	541-15-1
Keio ID	C041+

Top 10 Similar Molecules of Carnitine

Ranking	About scoring
C041+ Score:30.63 A143+ Score:20.05 B044+ Score:9.8 T020+ Score:9.79 A204+ Score:9.57 D083+ Score:9.57 A059+ Score:9.57 A007+ Score:9.57 S049+ Score:8.8 P074+ Score:8.59	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 C7H16NO3:   A143+  C041+   Pages Related to Peak C4H7O3:   A007+  A059+  C041+  D083+  A204+   Pages Related to Peak C5H12NO:   B044+  C041+   Pages Related to Peak C4H5O2:   A007+  A031+  A059+  E005+  G003+  G005+  G019+  G020+  G043+  G061+  G065+  M067+  M080+  P067+  S049+  A143+  C041+  D038+  D083+  E056+  G046+  G051+  M011+  M081+  M082+  A204+   Pages Related to Peak C3H10N:   A048+  T020+  A060+  A143+  C041+  C044+  C220+  G069+  P074+   Pages Related to Peak C3H8N:   A048+  A087+  A240+  B072+  D131+  H048+  H064+  I008+  N009+  A052+  A060+  A069+  A111+  A112+  A170+  A224+  B040+  B044+  B047+  B090+  C032+  C041+  C044+  C220+  D035+  D036+  D075+  H004+  H112+  I011+  I063+  L034+  M099+  M103+  P074+  P192+  S003+  S011+  T024+  T051+  V021+  H024+   Pages Related to Peak C3H5O:   C119+  S049+  T010+  T020+  A046+  A143+  A194+  D183+  M025+  S044+  U006+  G030+

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。

KOX00686p	162 C7H16NO3	103 C4H7O3	102 C5H12NO	85 C4H5O2	60 C3H10N	58 C3H8N	57 C3H5O
162 C7H16NO3
103 C4H7O3	C3H9N
102 C5H12NO	C2H4O2
85 C4H5O2	C3H11NO	H2O
60 C3H10N	C4H6O3		C2H2O
58 C3H8N	C4H8O3		C2H4O		H2
57 C3H5O	C4H11NO2	CH2O2	C2H7N	CO

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