Ojima:PR100327p

General Index

All Molecules KOX PR PBX COX

Ion Frequency

Prec.-Product

Neutral Loss

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5-Aminovaleric acid

IDs and Links
MassBank	5-Aminovaleric acid
CAS	660-88-8
Keio ID

Top 10 Similar Molecules of 5-Aminovaleric acid

Ranking	About scoring
A135+ Score:28.08 A189+ Score:19.73 H064+ Score:17.01 V001+ Score:16.76 N009+ Score:13.78 A112+ Score:8.65 O005+ Score:8.4 B047+ Score:8.35 D030+ Score:6.24 L027+ Score:6.24	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 C5H12NO2:   A135+  A189+  H064+  N009+  V001+  B047+   Pages Related to Peak C5H9O2:   A135+  A189+  N009+  O003+  V001+  A064+  O005+  A155+   Pages Related to Peak C5H10NO:   A135+  H064+  A111+  A112+  D122+  M024+   Pages Related to Peak C5H7O:   A135+  A189+  U011+   Pages Related to Peak C3H6N:   A031+  A050+  A065+  A073+  A093+  A110+  A127+  A135+  A174+  C012+  C094+  E005+  E011+  E033+  F034+  G005+  G018+  G019+  G032+  G043+  H002+  H013+  H064+  H073+  I008+  L004+  M003+  M035+  M114+  O008+  P048+  P059+  P092+  T010+  T015+  T020+  V001+  A020+  A046+  A069+  A194+  B044+  B047+  C028+  C043+  C044+  D033+  D036+  D038+  D087+  E007+  E056+  G006+  H003+  H058+  I053+  I063+  L027+  M025+  M029+  M077+  M124+  M126+  M169+  P034+  P046+  P074+  P192+  T022+  T024+  T027+  T061+  T098+  T122+  D030+  A204+  M022+   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+

Annotations

Precursor	Product	Comments
(0)	(0)	KOX00079

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。

PR100327p	118 C5H12NO2	101 C5H9O2	100 C5H10NO	83 C5H7O	56 C3H6N	55 C4H7
118 C5H12NO2
101 C5H9O2	H3N
100 C5H10NO	H2O
83 C5H7O	H5NO	H2O	H3N
56 C3H6N	C2H6O2		C2H4O
55 C4H7	CH5NO2	CH2O2	CH3NO	CO

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