Ojima:KOX00083p

General Index

All Molecules KOX PR PBX COX

Ion Frequency

Prec.-Product

Neutral Loss

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N-Acetyl-b-alanine

IDs and Links
MassBank	N-Acetyl-b-alanine
CAS	3025-95-4
Keio ID	A138+

Top 10 Similar Molecules of N-Acetyl-b-alanine

Ranking	About scoring
A138+ Score:37.2 A052+ Score:23.82 G051+ Score:18.02 H004+ Score:14.95 G061+ Score:14.67 R016+ Score:13.91 A191+ Score:13.91 G046+ Score:12.99 G065+ Score:12.99 H048+ Score:9.92	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 C5H10NO3:   A138+  G061+  H048+  A052+  H004+   Pages Related to Peak C5H8NO2:   A138+  A191+  C013+  G061+  R016+  A052+  B090+  G051+  H004+   Pages Related to Peak C3H8NO2:   A011+  A015+  A021+  A138+  P032+  S014+  A194+  A197+  C008+  G039+  P084+  A155+   Pages Related to Peak C4H8NO:   A002+  A138+  A191+  C013+  D064+  G032+  G065+  H048+  I015+  R016+  A052+  A194+  D106+  G046+  G051+  H004+  M082+  T098+   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 C5H9:   A053+  A138+  A145+  E015+  F025+  F034+  G071+  I008+  L003+  N014+  P067+  S013+  T112+  A061+  B090+  C032+  D178+  I063+  L057+  P034+  P206+  P209+  T108+  A155+   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 C3H3O:   A110+  A138+  C015+  C127+  D173+  G015+  G062+  I025+  O008+  P092+  A052+  M169+

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。

KOX00083p	132 C5H10NO3	114 C5H8NO2	90 C3H8NO2	86 C4H8NO	72 C3H6NO	69 C5H9	60 C2H6NO	55 C3H3O
132 C5H10NO3
114 C5H8NO2	H2O
90 C3H8NO2	C2H2O	C2
86 C4H8NO	CH2O2	CO
72 C3H6NO	C2H4O2	C2H2O	H2O	CH2
69 C5H9	HNO3
60 C2H6NO	C3H4O2	C3H2O	CH2O	C2H2	C
55 C3H3O	C2H7NO2	C2H5NO	H5NO	CH5N	H3N

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