Ojima:KOX00649p

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All Molecules KOX PR PBX COX

Ion Frequency

Prec.-Product

Neutral Loss

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Atropine

IDs and Links
MassBank	Atropine
CAS	51-55-8
Keio ID	A080+

Top 10 Similar Molecules of Atropine

[show] Ranking	About scoring
A080+ Score:52.1 H045+ Score:46.56 T024+ Score:30.64 T008+ Score:20.36 S040+ Score:20.05 P002+ Score:14.82 B018+ Score:14.82 A067+ Score:14.82 L031+ Score:14.31 A061+ Score:14.31	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 C17H24NO3:   A080+  H045+   Pages Related to Peak C16H22NO2:   A080+  H045+  P192+  V021+   Pages Related to Peak C8H16NO:   A080+  H045+  T024+   Pages Related to Peak C8H14N:   A080+  H045+  T024+   Pages Related to Peak C8H9O:   P075+  A080+  E007+  S040+  T008+   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 C7H9:   A067+  B018+  G075+  P002+  A061+  A080+  H045+  L031+  T008+  T024+   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 C5H8N:   A135+  A140+  H064+  P067+  A069+  A080+  A197+  C043+  H045+  M024+  N016+  P054+  S040+  T024+  T061+  D030+  M022+   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 C5H7:   A018+  A050+  A053+  A122+  A127+  A174+  B020+  C119+  D055+  G062+  G065+  H064+  H073+  L004+  M035+  N014+  P014+  P032+  P048+  P055+  Z002+  A061+  A068+  A080+  A170+  C032+  C043+  C114+  D075+  D078+  F016+  G021+  H045+  I063+  K005+  L027+  L031+  M033+  M039+  M169+  O007+  P034+  P054+  S040+  T024+  T061+  V021+

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] KOX00649p	290 C17H24NO3	260 C16H22NO2	142 C8H16NO	124 C8H14N	121 C8H9O	103 C8H7	93 C7H9	91 C7H7	82 C5H8N	77 C6H5	67 C5H7
290 C17H24NO3
260 C16H22NO2	CH2O
142 C8H16NO	C9H8O2	C8H6O
124 C8H14N	C9H10O3	C8H8O2	H2O
121 C8H9O	C9H15NO2	C8H13NO	H7N
103 C8H7	C9H17NO3	C8H15NO2	H9NO	H7N	H2O
93 C7H9	C10H15NO3	C9H13NO2	CH7NO	CH5N	CO
91 C7H7	C10H17NO3	C9H15NO2	CH9NO	CH7N	CH2O	C	H2
82 C5H8N	C12H16O3	C11H14O2	C3H8O	C3H6
77 C6H5	C11H19NO3	C10H17NO2	C2H11NO	C2H9N	C2H4O	C2H2	CH4	CH2
67 C5H7	C12H17NO3	C11H15NO2	C3H9NO	C3H7N	C3H2O	C3	C2H2	C2	HN

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