Ojima:PR100147p

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All Molecules KOX PR PBX COX

Ion Frequency

Prec.-Product

Neutral Loss

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Indole-3-acetaldehyde

IDs and Links
MassBank	Indole-3-acetaldehyde
CAS	2591-98-2
Keio ID

Top 10 Similar Molecules of Indole-3-acetaldehyde

Ranking	About scoring
S041+ Score:27.75 M103+ Score:25.23 M040+ Score:25.23 H027+ Score:25.23 T054+ Score:25.07 T003+ Score:25.07 M053+ Score:20.99 M078+ Score:20.97 T031+ Score:19.69 M101+ Score:19.69	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 C10H10NO:   M078+  E007+  S041+   Pages Related to Peak C9H7NO:   M078+   Pages Related to Peak C9H10N:   T003+  T054+  N016+  S041+  T030+  N044+   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 C8H8N:   A067+  C057+  E033+  E034+  H027+  H139+  I025+  I050+  M040+  M053+  P002+  P059+  P075+  T002+  T003+  T054+  A068+  A069+  A123+  A137+  B013+  C043+  D039+  D122+  E007+  K004+  M101+  M103+  M169+  M172+  N016+  P070+  Q001+  S041+  S058+  T030+  T031+  T032+  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 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+

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。

PR100147p	160 C10H10NO	145 C9H7NO	144 C9H6NO	132 C9H10N	131 C9H9N	130 C9H8N	118 C8H8N	117 C8H7N	115 C9H7	91 C7H7
160 C10H10NO
145 C9H7NO	CH3
144 C9H6NO	CH4	H
132 C9H10N	CO
131 C9H9N	CHO			H
130 C9H8N	CH2O			H2	H
118 C8H8N	C2H2O			CH2	CH	C
117 C8H7N	C2H3O	CO		CH3	CH2	CH	H
115 C9H7	CH3NO	NO		H3N	H2N	HN
91 C7H7	C3H3NO	C2NO		C2H3N	C2H2N	C2HN	CHN	CN	C2

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