Ojima:KOX00865p

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All Molecules KOX PR PBX COX

Ion Frequency

Prec.-Product

Neutral Loss

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Scopolamine

IDs and Links
MassBank	Scopolamine
CAS	51-34-3
Keio ID	S040+

Top 10 Similar Molecules of Scopolamine

Ranking	About scoring
S040+ Score:41.5 T008+ Score:18.39 A080+ Score:12.15 M082+ Score:10.99 B026+ Score:10.9 A110+ Score:10.9 P047+ Score:10.51 M167+ Score:10.51 D180+ Score:10.51 D178+ Score:10.51	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 C17H22NO4:   S040+   Pages Related to Peak C8H14NO2:   A145+  E015+  S040+   Pages Related to Peak C8H12NO:   S040+  T008+   Pages Related to Peak C8H9O:   P075+  A080+  E007+  S040+  T008+   Pages Related to Peak C7H12N:   S040+   Pages Related to Peak C8H7:   A067+  B018+  I022+  I025+  I030+  I038+  M040+  M078+  P002+  T054+  A080+  A137+  D039+  D178+  D180+  E007+  G041+  H045+  I067+  M101+  M167+  N016+  P047+  Q008+  S040+  T008+  T030+  T031+   Pages Related to Peak C5H8NO:   A065+  A110+  A122+  A191+  B019+  G065+  M067+  M159+  R016+  B026+  C043+  G021+  G046+  G051+  M081+  M082+  S044+   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 C6H5:   A010+  A043+  A050+  A053+  A067+  A110+  A130+  B007+  B015+  B018+  B020+  D046+  D051+  D166+  E012+  E033+  H029+  H139+  I015+  I019+  I022+  I025+  I030+  I038+  M037+  M040+  M053+  M078+  M127+  N018+  P002+  P014+  P033+  P053+  P059+  P113+  S013+  T002+  T003+  T054+  T112+  X004+  A035+  A036+  A054+  A061+  A064+  A080+  B004+  B009+  B011+  B013+  B026+  C172+  D032+  D039+  D061+  D087+  D178+  D180+  D185+  E013+  F016+  G041+  H045+  I063+  I067+  K004+  K005+  L027+  L031+  M039+  M066+  M082+  M101+  M142+  M150+  M167+  M169+  M172+  N016+  N028+  N067+  O007+  P036+  P047+  P054+  P057+  P061+  P079+  Q001+  Q008+  S040+  S041+  S058+  T008+  T024+  T028+  T030+  T031+  T032+  T060+  T126+  D030+  A155+  N044+   Pages Related to Peak C4H8N:   A032+  A039+  A110+  C013+  G037+  G117+  I008+  L007+  M067+  O003+  O009+  P003+  P055+  Z003+  A036+  A069+  A103+  A112+  B026+  B040+  D033+  G021+  H003+  H097+  O005+  P046+  P054+  P074+  P105+  T021+  T022+  T122+  N044+

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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。

KOX00865p	304 C17H22NO4	156 C8H14NO2	138 C8H12NO	121 C8H9O	110 C7H12N	103 C8H7	98 C5H8NO	79 C6H7	77 C6H5	70 C4H8N
304 C17H22NO4
156 C8H14NO2	C9H8O2
138 C8H12NO	C9H10O3	H2O
121 C8H9O	C9H13NO3	H5NO	H3N
110 C7H12N	C10H10O4	CH2O2	CO
103 C8H7	C9H15NO4	H7NO2	H5NO	H2O
98 C5H8NO	C12H14O3	C3H6O	C3H4
79 C6H7	C11H15NO4	C2H7NO2	C2H5NO	C2H2O	CH5N	C2
77 C6H5	C11H17NO4	C2H9NO2	C2H7NO	C2H4O	CH7N	C2H2		H2
70 C4H8N	C13H14O4	C4H6O2	C4H4O		C3H4		CO

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