Ojima:PR100304p

General Index

All Molecules KOX PR PBX COX

Ion Frequency

Prec.-Product

Neutral Loss

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N-alpha-Acetyl-L-ornithine

IDs and Links
MassBank	N-alpha-Acetyl-L-ornithine
CAS	2185-16-2
Keio ID

Top 10 Similar Molecules of N-alpha-Acetyl-L-ornithine

Ranking	About scoring
A032+ Score:41.57 E005+ Score:18.4 P105+ Score:13.7 O005+ Score:13.7 O003+ Score:13.7 C013+ Score:13.7 B026+ Score:12.49 A039+ Score:12.49 S044+ Score:11.48 P055+ Score:9.34	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 C7H15N2O3:   A032+  E005+   Pages Related to Peak C7H12NO3:   A032+  E005+  S044+   Pages Related to Peak C7H13N2O2:   A032+  E005+   Pages Related to Peak C5H10NO2:   A032+  A039+  A110+  C013+  M067+  O003+  O009+  P003+  Z003+  B026+  O005+  P105+   Pages Related to Peak C5H11N2O:   A032+  C013+  D173+  G117+  O003+  O005+  P105+  A155+   Pages Related to Peak C6H10NO:   A032+  P055+  C043+  L027+  S044+   Pages Related to Peak C2H4NO2:   A016+  A017+  A032+  A039+  A065+  A127+  A140+  B018+  C015+  C094+  F025+  F034+  G018+  G061+  H002+  H048+  H064+  L004+  M003+  M114+  P032+  T003+  T020+  A064+  B026+  D038+  E056+  H050+  K004+   Pages Related to Peak C4H7O:   F008+  A224+  B090+   Pages Related to Peak C4H8N:   A032+  A039+  A110+  C013+  G037+  G117+  I008+  L007+  M067+  O003+  O009+  P003+  P055+  Z003+  A036+  A069+  A103+  A112+  B026+  B040+  D033+  G021+  H003+  H097+  O005+  P046+  P054+  P074+  P105+  T021+  T022+  T122+  N044+

Annotations

Precursor	Product	Comments
(0)	(0)	KOX00024

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。

PR100304p	175 C7H15N2O3	158 C7H12NO3	157 C7H13N2O2	116 C5H10NO2	115 C5H11N2O	112 C6H10NO	74 C2H4NO2	71 C4H7O	70 C4H8N
175 C7H15N2O3
158 C7H12NO3	H3N
157 C7H13N2O2	H2O
116 C5H10NO2	C2H5NO	C2H2O	C2H3N
115 C5H11N2O	C2H4O2		C2H2O
112 C6H10NO	CH5NO2	CH2O2	CH3NO
74 C2H4NO2	C5H11NO	C5H8O	C5H9N	C3H6
71 C4H7O	C3H8N2O2	C3H5NO2	C3H6N2O	CH3NO	CH4N2	C2H3N
70 C4H8N	C3H7NO3	C3H4O3	C3H5NO2	CH2O2	CH3NO	C2H2O

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