Ojima:KOX00814p

General Index

All Molecules KOX PR PBX COX

Ion Frequency

Prec.-Product

Neutral Loss

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Noradrenaline

IDs and Links
MassBank	Noradrenaline
CAS	51-41-2
Keio ID	N028+

Top 10 Similar Molecules of Noradrenaline

Ranking	About scoring
N028+ Score:44.43 T126+ Score:27.23 E033+ Score:21.51 P053+ Score:18.94 P113+ Score:17.12 M127+ Score:17.12 M167+ Score:15.86 T041+ Score:13.31 C063+ Score:13.31 M169+ Score:12.48	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 C8H12NO3:   P053+  B026+  N028+  T126+   Pages Related to Peak C8H9O3:   N028+   Pages Related to Peak C8H10NO2:   M127+  P053+  H050+  N028+  T126+   Pages Related to Peak C8H7O2:   C063+  E033+  A137+  N028+  P070+  T041+  T126+  V021+   Pages Related to Peak C8H8NO:   D056+  I050+  M127+  P053+  P113+  H050+  M167+  N028+  S058+   Pages Related to Peak C7H7O2:   E033+  P113+  T002+  M169+  N028+   Pages Related to Peak C7H7O:   C063+  D046+  D056+  E033+  I050+  P059+  T002+  A137+  D185+  E007+  M167+  M169+  N028+  P070+  S058+  T032+  T033+  T041+  T126+  V021+   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+

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。

KOX00814p	170 C8H12NO3	153 C8H9O3	152 C8H10NO2	135 C8H7O2	134 C8H8NO	123 C7H7O2	107 C7H7O	79 C6H7	77 C6H5
170 C8H12NO3
153 C8H9O3	H3N
152 C8H10NO2	H2O
135 C8H7O2	H5NO	H2O	H3N
134 C8H8NO	H4O2		H2O
123 C7H7O2	CH5NO	CH2O	CH3N	C
107 C7H7O	CH5NO2	CH2O2	CH3NO	CO	CHN	O
79 C6H7	C2H5NO3	C2H2O3	C2H3NO2	C2O2	C2HNO	CO2	CO
77 C6H5	C2H7NO3	C2H4O3	C2H5NO2	C2H2O2	C2H3NO	CH2O2	CH2O	H2

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