Ojima:COX00065p

General Index

All Molecules KOX PR PBX COX

Ion Frequency

Prec.-Product

Neutral Loss

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Oxybutynine

IDs and Links
MassBank	Oxybutynine
CAS
Keio ID

Top 10 Similar Molecules of Oxybutynine

[show] Ranking	About scoring
T024+ Score:18.73 H045+ Score:15.16 A080+ Score:15.16 M167+ Score:11.46 E033+ Score:11.46 B026+ Score:10.02 N018+ Score:9.91 B009+ Score:9.84 T126+ Score:8.18 T041+ Score:8.18	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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[show] Page list for each fragment

Pages Related to Peak C8H16NO:   A080+  H045+  T024+   Pages Related to Peak C10H9:   N018+   Pages Related to Peak C8H14N:   A080+  H045+  T024+   Pages Related to Peak C7H7O:   C063+  D046+  D056+  E033+  I050+  P059+  T002+  A137+  D185+  E007+  M167+  M169+  N028+  P070+  S058+  T032+  T033+  T041+  T126+  V021+   Pages Related to Peak C7H5O:   X004+  B009+  B026+   Pages Related to Peak C5H5O2:   A007+  A133+  G020+  O015+  P075+  A020+  D067+   Pages Related to Peak C7H7:   A067+  B015+  B018+  B020+  C040+  D046+  E033+  E034+  H027+  H139+  I025+  M040+  M053+  M127+  N018+  P002+  P059+  S013+  T002+  T003+  T054+  Z003+  A061+  A068+  A080+  A137+  A226+  B013+  C172+  D039+  D087+  D122+  D185+  E013+  F016+  G041+  H045+  K004+  L031+  M071+  M101+  M103+  M167+  M169+  M172+  P061+  P070+  P206+  Q001+  S058+  T008+  T024+  T030+  T031+  T032+  T044+  D030+   Pages Related to Peak C6H7:   A053+  A067+  B020+  C063+  E012+  E033+  M127+  P002+  P113+  A035+  A061+  B009+  B090+  D032+  D039+  D178+  D180+  E013+  L031+  M039+  M082+  M167+  N028+  P047+  P061+  S040+  T041+  T060+  T126+  A082+   Pages Related to Peak C4H10N:   A032+  A039+  A135+  A189+  E015+  N009+  O009+  V001+  A051+  A069+  A104+  A111+  A112+  B001+  B026+  I063+  L057+  O005+  O016+  P105+  P190+  P192+  S003+  S011+  H024+   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+

Annotations

Precursor-Product Relationship

[show] 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。

[hide] COX00065p	358 C22H32NO3	340 C22H30NO2	189 C13H17O	171 C13H15	142 C8H16NO	129 C10H9	124 C8H14N	107 C7H7O	105 C7H5O	97 C5H5O2	91 C7H7	79 C6H7	72 C4H10N	58 C3H8N
358 C22H32NO3
340 C22H30NO2	H2O
189 C13H17O	C9H15NO2	C9H13NO
171 C13H15	C9H17NO3	C9H15NO2	H2O
142 C8H16NO	C14H16O2	C14H14O
129 C10H9	C12H23NO3	C12H21NO2	C3H8O	C3H6
124 C8H14N	C14H18O3	C14H16O2			H2O
107 C7H7O	C15H25NO2	C15H23NO	C6H10		CH9N
105 C7H5O	C15H27NO2	C15H25NO	C6H12		CH11N			H2
97 C5H5O2	C17H27NO	C17H25N
91 C7H7	C15H25NO3	C15H23NO2	C6H10O	C6H8	CH9NO	C3H2	CH7N	O
79 C6H7	C16H25NO3	C16H23NO2	C7H10O	C7H8	C2H9NO	C4H2	C2H7N	CO			C
72 C4H10N	C18H22O3	C18H20O2			C4H6O		C4H4
58 C3H8N	C19H24O3	C19H22O2			C5H8O		C5H6						CH2

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