Ojima:PBX00048p

General Index

All Molecules KOX PR PBX COX

Ion Frequency

Prec.-Product

Neutral Loss

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4-methoxy-1H-indole-3-carbaldehyde

IDs and Links
MassBank	4-methoxy-1H-indole-3-carbaldehyde
CAS
Keio ID

Top 10 Similar Molecules of 4-methoxy-1H-indole-3-carbaldehyde

Ranking	About scoring
I038+ Score:18.41 E033+ Score:14.17 T041+ Score:12.46 N044+ Score:12.17 T031+ Score:12.17 S041+ Score:12.17 N016+ Score:12.17 M101+ Score:12.17 A035+ Score:12.17 T054+ Score:12.17	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 C10H10NO2:   I038+  T041+   Pages Related to Peak C9H6NO2:   X004+   Pages Related to Peak C9H10NO:   E033+  T041+   Pages Related to Peak C8H7NO:   D056+   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 C7H6N:   E033+  H139+  I030+  I038+  M037+  P014+  P053+  T054+  X004+  A035+  A068+  A123+  B004+  D087+  K004+  M101+  M111+  M142+  M169+  M172+  N016+  N067+  P057+  P079+  Q008+  S041+  T008+  T028+  T030+  T031+  N044+   Pages Related to Peak C7H5:   C063+  E033+  H027+  H029+  I022+  I025+  I030+  I038+  M037+  M040+  M053+  M078+  T003+  T054+  A035+  A036+  D178+  D180+  K005+  M101+  M103+  N016+  S041+  T031+  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。

PBX00048p	176 C10H10NO2	161 C9H7NO2	160 C9H6NO2	148 C9H10NO	133 C8H7NO	117 C8H7N	104 C7H6N	89 C7H5
176 C10H10NO2
161 C9H7NO2	CH3
160 C9H6NO2	CH4	H
148 C9H10NO	CO
133 C8H7NO	C2H3O	CO		CH3
117 C8H7N	C2H3O2	CO2		CH3O	O
104 C7H6N	C3H4O2	C2HO2	C2O2	C2H4O	CHO	CH
89 C7H5	C3H5NO2	C2H2NO2	C2HNO2	C2H5NO	CH2NO	CH2N	HN

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