Ojima:KOX00641p

General Index

All Molecules KOX PR PBX COX

Ion Frequency

Prec.-Product

Neutral Loss

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N-Acetylputrescine

IDs and Links
MassBank	N-Acetylputrescine
CAS	18233-70-0
Keio ID	A051+

Top 10 Similar Molecules of N-Acetylputrescine

Ranking	About scoring
A051+ Score:27.72 A112+ Score:19.11 O009+ Score:12.88 A053+ Score:8.8 M081+ Score:8.6 G051+ Score:8.6 G046+ Score:8.6 G065+ Score:8.6 A138+ Score:8.6 A111+ Score:8.18	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 C6H15N2O:   A051+  A112+   Pages Related to Peak C6H12NO:   A053+  O009+  A051+  A112+  T022+   Pages Related to Peak C4H10N:   A032+  A039+  A135+  A189+  E015+  N009+  O009+  V001+  A051+  A069+  A104+  A111+  A112+  B001+  B026+  I063+  L057+  O005+  O016+  P105+  P190+  P192+  S003+  S011+  H024+   Pages Related to Peak C3H6NO:   A011+  A015+  A021+  A138+  C034+  C094+  D173+  E005+  G061+  G065+  P032+  A051+  A052+  A111+  A197+  C008+  D122+  G046+  G051+  L047+  M081+  N063+  P177+  S044+   Pages Related to Peak C2H6NO:   A016+  A138+  A191+  G065+  R016+  S002+  A051+  D033+  D078+  G046+  G051+  H069+  M033+  M081+  T051+  A204+   Pages Related to Peak C4H7:   A053+  A135+  A189+  A196+  B020+  E015+  G003+  G032+  G050+  H064+  H073+  I015+  I022+  L003+  L004+  M035+  M078+  N009+  N018+  O009+  P048+  S013+  V001+  Z002+  A051+  A061+  A112+  A203+  A225+  B001+  B010+  B026+  B090+  C114+  D078+  D082+  D183+  E008+  F016+  G021+  H097+  I039+  I063+  L027+  L031+  L057+  M011+  M039+  M110+  M115+  O005+  P035+  P054+  P206+  S003+  V020+  D030+   Pages Related to Peak C2H3O:   A060+   Pages Related to Peak CH4N:   G011+  D103+

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。

KOX00641p	131 C6H15N2O	114 C6H12NO	72 C4H10N	72 C3H6NO	60 C2H6NO	55 C4H7	43 C2H3O	30 CH4N
131 C6H15N2O
114 C6H12NO	H3N
72 C4H10N	C2H5NO	C2H2O
72 C3H6NO	C3H9N	C3H6
60 C2H6NO	C4H9N	C4H6		C
55 C4H7	C2H8N2O	C2H5NO	H3N
43 C2H3O	C4H12N2	C4H9N		CH3N	H3N
30 CH4N	C5H11NO	C5H8O	C3H6	C2H2O	CH2O

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