Ojima:KOX00424p

General Index

All Molecules KOX PR PBX COX

Ion Frequency

Prec.-Product

Neutral Loss

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5-Methoxytryptamine

IDs and Links
MassBank	5-Methoxytryptamine
CAS	608-07-1
Keio ID	M040+

Top 10 Similar Molecules of 5-Methoxytryptamine

Ranking	About scoring
M040+ Score:50.1 M053+ Score:48.53 M103+ Score:37.53 H027+ Score:37.53 T031+ Score:27.69 M101+ Score:27.69 I025+ Score:27.69 T054+ Score:22.66 S041+ Score:20.46 I030+ Score:19.39	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 C11H15N2O:   M040+  M053+  A226+   Pages Related to Peak C11H12NO:   H027+  M040+  M053+  B026+  M103+  P061+   Pages Related to Peak C10H9NO:   H027+  M040+  M053+  A137+  M103+   Pages Related to Peak C10H9N:   E034+  H027+  I025+  M040+  M053+  M101+  M103+  S041+  T031+   Pages Related to Peak C9H9N:   H027+  M040+  M053+  M103+  T041+   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 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 C9H7:   B018+  H027+  H029+  I025+  I030+  M040+  M053+  N018+  T003+  T054+  B013+  K005+  M101+  M103+  M167+  M169+  S041+  T031+   Pages Related to Peak C7H7N:   M053+   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 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 C6H6:   D180+   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。

KOX00424p	191 C11H15N2O	174 C11H12NO	159 C10H9NO	143 C10H9N	131 C9H9N	130 C9H8N	117 C8H7N	115 C9H7	105 C7H7N	103 C8H7	91 C7H7	78 C6H6	77 C6H5
191 C11H15N2O
174 C11H12NO	H3N
159 C10H9NO	CH6N	CH3
143 C10H9N	CH6NO	CH3O	O
131 C9H9N	C2H6NO	C2H3O	CO	C
130 C9H8N	C2H7NO	C2H4O	CHO	CH	H
117 C8H7N	C3H8NO	C3H5O	C2H2O	C2H2	CH2	CH
115 C9H7	C2H8N2O	C2H5NO	CH2NO	CH2N	H2N	HN
105 C7H7N	C4H8NO	C4H5O	C3H2O	C3H2	C2H2	C2H	C
103 C8H7	C3H8N2O	C3H5NO	C2H2NO	C2H2N	CH2N	CHN	N	C
91 C7H7	C4H8N2O	C4H5NO	C3H2NO	C3H2N	C2H2N	C2HN	CN	C2	N	C
78 C6H6	C5H9N2O	C5H6NO	C4H3NO	C4H3N	C3H3N	C3H2N	C2HN	C3H	CHN	C2H	CH
77 C6H5	C5H10N2O	C5H7NO	C4H4NO	C4H4N	C3H4N	C3H3N	C2H2N	C3H2	CH2N	C2H2	CH2	H

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