Ojima:PR100077p

General Index

All Molecules KOX PR PBX COX

Ion Frequency

Prec.-Product

Neutral Loss

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(-)-Nicotine

IDs and Links
MassBank	(-)-Nicotine
CAS	54-11-5
Keio ID

Top 10 Similar Molecules of (-)-Nicotine

Ranking	About scoring
N016+ Score:36.95 A068+ Score:31.57 N044+ Score:21.68 S041+ Score:17.84 T054+ Score:17.84 T003+ Score:13.77 T031+ Score:12.46 M172+ Score:12.46 M103+ Score:12.46 M101+ Score:12.46	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。

Links

Page list for each fragment

Pages Related to Peak C10H15N2:   A068+  N016+   Pages Related to Peak C9H10N:   T003+  T054+  N016+  S041+  T030+  N044+   Pages Related to Peak C9H8N:   E034+  H027+  I022+  I025+  I030+  I038+  M037+  M040+  M053+  M078+  T003+  T054+  A068+  G041+  I067+  M101+  M103+  M172+  N016+  Q008+  S041+  T031+  N044+   Pages Related to Peak C8H10N:   A067+  B018+  E033+  P002+  Z003+  A068+  D087+  M111+  N016+  P206+   Pages Related to Peak C8H7N:   H027+  H139+  I022+  I025+  I030+  I038+  M040+  M078+  T003+  T054+  A035+  A068+  E007+  M101+  M103+  M172+  N016+  P057+  S041+  T031+  N044+   Pages Related to Peak C7H8N:   E012+  I050+  M040+  M053+  M127+  P014+  P053+  P113+  T054+  A035+  A036+  A068+  D032+  D178+  D180+  M101+  M103+  M111+  M172+  N016+  P061+  P206+  S041+  T031+  N044+   Pages Related to Peak C5H10N:   A050+  A127+  A174+  H064+  H073+  L004+  M035+  M159+  P048+  A068+  A069+  A111+  A112+  A143+  A170+  C043+  K004+  L027+  N016+  S003+  S011+  S044+  T122+  D030+   Pages Related to Peak C5H6N:   A042+  A220+  B072+  D057+  E012+  G101+  I050+  N004+  P053+  P094+  R016+  S079+  A068+  B026+  D180+  G021+  G046+  H050+  H097+  I017+  I051+  M013+  M063+  N001+  N016+  P035+  P041+  P079+  P183+  S016+  M022+  N044+

Annotations

Precursor	Product	Comments
(0)	(0)	KOX00811

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。

PR100077p	163 C10H15N2	132 C9H10N	130 C9H8N	120 C8H10N	117 C8H7N	106 C7H8N	84 C5H10N	80 C5H6N
163 C10H15N2
132 C9H10N	CH5N
130 C9H8N	CH7N	H2
120 C8H10N	C2H5N	C
117 C8H7N	C2H8N	CH3	CH	H3
106 C7H8N	C3H7N	C2H2	C2	CH2
84 C5H10N	C5H5N	C4		C3
80 C5H6N	C5H9N	C4H4	C4H2	C3H4	C3H	C2H2	H4

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