Ojima:KOX00875p

General Index

All Molecules KOX PR PBX COX

Ion Frequency

Prec.-Product

Neutral Loss

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Tropine

IDs and Links
MassBank	Tropine
CAS	120-29-6
Keio ID	T024+

Top 10 Similar Molecules of Tropine

Ranking	About scoring
T024+ Score:51.93 H045+ Score:30.64 A080+ Score:30.64 I063+ Score:14.81 L031+ Score:14.31 A061+ Score:14.31 T061+ Score:13.03 D075+ Score:12.16 C172+ Score:11.87 H064+ Score:11.46	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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Page list for each fragment

Pages Related to Peak C8H16NO:   A080+  H045+  T024+   Pages Related to Peak C8H14N:   A080+  H045+  T024+   Pages Related to Peak C7H10N:   C172+  M066+  T024+   Pages Related to Peak C6H12N:   O009+  B040+  D075+  I063+  O016+  P192+  T024+  T061+   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 C5H9N:   T024+   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+   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

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。

KOX00875p	142 C8H16NO	124 C8H14N	108 C7H10N	98 C6H12N	93 C7H9	91 C7H7	83 C5H9N	82 C5H8N	77 C6H5	67 C5H7	58 C3H8N
142 C8H16NO
124 C8H14N	H2O
108 C7H10N	CH6O	CH4
98 C6H12N	C2H4O	C2H2
93 C7H9	CH7NO	CH5N	HN
91 C7H7	CH9NO	CH7N	H3N		H2
83 C5H9N	C3H7O	C3H5	C2H	CH3
82 C5H8N	C3H8O	C3H6	C2H2	CH4			H
77 C6H5	C2H11NO	C2H9N	CH5N	H7N	CH4	CH2
67 C5H7	C3H9NO	C3H7N	C2H3N	CH5N	C2H2	C2	H2N	HN
58 C3H8N	C5H8O	C5H6	C4H2	C3H4			C2H	C2

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