Ojima:KOX00788p

General Index

All Molecules KOX PR PBX COX

Ion Frequency

Prec.-Product

Neutral Loss

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1-Methylnicotinamide

IDs and Links
MassBank	1-Methylnicotinamide
CAS	3106-60-3
Keio ID	M063+

Top 10 Similar Molecules of 1-Methylnicotinamide

Ranking	About scoring
M063+ Score:55.18 P056+ Score:28.03 T060+ Score:26.04 I051+ Score:25.09 I017+ Score:25.09 N044+ Score:24.36 N016+ Score:24.36 P079+ Score:24.33 M172+ Score:22.23 G101+ Score:21.53	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 C7H9N2O:   M063+  P056+  P209+   Pages Related to Peak C6H8N:   A010+  A043+  A130+  A220+  C040+  D166+  E033+  G101+  H027+  H029+  H139+  M037+  P014+  P053+  A054+  A068+  A069+  A123+  B009+  B011+  C172+  D032+  D039+  D087+  D180+  K004+  K005+  M063+  M111+  M150+  M172+  N016+  N063+  P079+  S044+  T060+  T122+  N044+   Pages Related to Peak C6H7N:   A010+  A042+  A043+  A130+  A220+  B007+  D166+  E012+  G101+  H027+  H139+  N012+  P014+  P053+  T003+  T054+  A035+  A068+  A069+  A123+  B011+  C172+  D039+  D044+  D180+  K005+  M063+  M066+  M101+  M111+  M142+  M172+  N016+  P035+  P036+  P056+  P079+  P190+  S016+  S041+  T028+  T031+  T060+  N044+   Pages Related to Peak C6H6N:   A010+  A042+  A043+  A220+  B007+  B072+  D166+  E012+  G101+  I019+  N012+  S079+  U011+  A068+  A114+  B011+  C170+  D032+  D044+  H050+  K004+  M063+  M066+  P035+  P036+  P047+  P056+  P079+  P183+  P190+  S016+  T028+  T060+   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+   Pages Related to Peak C5H5N:   I066+  N004+  I017+  I051+  M063+  M111+  N001+   Pages Related to Peak C5H4N:   A043+  E012+  H015+  H027+  I066+  M037+  N004+  P014+  P053+  P068+  P094+  P113+  A052+  A068+  A123+  C089+  C170+  D032+  F013+  H021+  H058+  H112+  I017+  I051+  M063+  M066+  M111+  M172+  N001+  N016+  N067+  P045+  P056+  P057+  P079+  P099+  Q001+  Q008+  T060+  D030+  N044+   Pages Related to Peak C4H5N:   A093+  H064+  H058+  H097+  M063+  P056+  M022+   Pages Related to Peak C4H4N:   A073+  H002+  H015+  I066+  N012+  U011+  D183+  M063+  P035+   Pages Related to Peak C5H5:   A010+  A042+  A043+  A050+  A130+  A220+  B007+  B015+  B072+  C040+  D046+  D057+  D166+  E012+  E033+  F034+  G101+  H029+  H139+  I019+  I025+  M003+  M037+  M127+  N012+  P002+  P014+  P053+  P059+  P113+  S013+  S079+  T002+  T054+  U011+  X004+  Z003+  A061+  A068+  A114+  B011+  B013+  C047+  C170+  C172+  D032+  D044+  D087+  D122+  D178+  D180+  D185+  E008+  E013+  K004+  M013+  M039+  M063+  M066+  M071+  M101+  M150+  M167+  M172+  N016+  N028+  P035+  P047+  P056+  P061+  P079+  P183+  P190+  Q001+  S016+  S041+  S058+  T008+  T028+  T030+  T031+  T032+  T044+  T060+  N044+   Pages Related to Peak C4H5:   A010+  A042+  A135+  B019+  C013+  F008+  F014+  G065+  G101+  M037+  N004+  O003+  P003+  P014+  B010+  C114+  D178+  D180+  G021+  H097+  I017+  I051+  M013+  M039+  M063+  N001+  N016+  N067+  P041+  P183+  S016+  N044+   Pages Related to Peak C4H4:   I017+  I051+  M063+  M172+  T060+   Pages Related to Peak C4H3:   A010+  A043+  A050+  A130+  B007+  D046+  D166+  E012+  E033+  H015+  H029+  H139+  I019+  I022+  I030+  I038+  M127+  N004+  N018+  P002+  P033+  P053+  P059+  T002+  X004+  A036+  A054+  A061+  A224+  B004+  B009+  B011+  B013+  C089+  C172+  D032+  D087+  D178+  D180+  E013+  F013+  G041+  H021+  H112+  I017+  I051+  I067+  M063+  M066+  M071+  M101+  M167+  M172+  N001+  N016+  N028+  P041+  P045+  P047+  P056+  P057+  P079+  P099+  Q001+  Q008+  S041+  S058+  T008+  T031+  T060+  D030+  N044+

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。

KOX00788p	137 C7H9N2O	94 C6H8N	93 C6H7N	92 C6H6N	80 C5H6N	79 C5H5N	78 C5H4N	67 C4H5N	66 C4H4N	65 C5H5	53 C4H5	52 C4H4	51 C4H3
137 C7H9N2O
94 C6H8N	CHNO
93 C6H7N	CH2NO	H
92 C6H6N	CH3NO	H2	H
80 C5H6N	C2H3NO	CH2	CH	C
79 C5H5N	C2H4NO	CH3	CH2	CH	H
78 C5H4N	C2H5NO	CH4	CH3	CH2	H2	H
67 C4H5N	C3H4NO	C2H3	C2H2	C2H	CH	C
66 C4H4N	C3H5NO	C2H4	C2H3	C2H2	CH2	CH	C	H
65 C5H5	C2H4N2O	CH3N	CH2N	CHN	HN	N
53 C4H5	C3H4N2O	C2H3N	C2H2N	C2HN	CHN	CN		N		C
52 C4H4	C3H5N2O	C2H4N	C2H3N	C2H2N	CH2N	CHN	CN	HN	N	CH	H
51 C4H3	C3H6N2O	C2H5N	C2H4N	C2H3N	CH3N	CH2N	CHN	H2N	HN	CH2	H2	H

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