Ojima:KOX00676p

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All Molecules KOX PR PBX COX

Ion Frequency

Prec.-Product

Neutral Loss

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Na-Benzenolarginine ethylester

IDs and Links
MassBank	Na-Benzenolarginine ethylester
CAS
Keio ID	B026+

Top 10 Similar Molecules of Na-Benzenolarginine ethylester

Ranking	About scoring
B026+ Score:114.22 O009+ Score:14.51 C013+ Score:14.51 B009+ Score:14.14 P061+ Score:13.76 P105+ Score:12.95 A226+ Score:11.95 A110+ Score:11.22 A103+ Score:9.52 X004+ Score:8.6	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 C15H23N4O3:   B026+   Pages Related to Peak C15H20N3O3:   A226+  B026+   Pages Related to Peak C13H16N3O3:   B026+   Pages Related to Peak C14H18NO3:   B026+   Pages Related to Peak C14H19N2O2:   B026+   Pages Related to Peak C12H15N2O2:   A226+  B026+  E007+  P061+   Pages Related to Peak C12H13N2O:   B026+   Pages Related to Peak C8H15N2O3:   B026+   Pages Related to Peak C11H12NO:   H027+  M040+  M053+  B026+  M103+  P061+   Pages Related to Peak C11H13N2:   B026+   Pages Related to Peak C8H12NO3:   P053+  B026+  N028+  T126+   Pages Related to Peak C7H14NO2:   B018+  A103+  A143+  B026+   Pages Related to Peak C7H12NO2:   O009+  P032+  B026+   Pages Related to Peak C7H8NO:   M037+  P014+  B009+  B026+  S044+   Pages Related to Peak C5H10NO2:   A032+  A039+  A110+  C013+  M067+  O003+  O009+  P003+  Z003+  B026+  O005+  P105+   Pages Related to Peak C5H9N2O:   C013+  B026+  T098+   Pages Related to Peak C7H5O:   X004+  B009+  B026+   Pages Related to Peak C5H7N2:   A073+  A093+  A140+  C012+  C208+  D131+  H002+  H013+  M035+  P068+  U011+  B026+  H058+  H069+  I051+  M076+  M077+  P105+   Pages Related to Peak C6H5:   A010+  A043+  A050+  A053+  A067+  A110+  A130+  B007+  B015+  B018+  B020+  D046+  D051+  D166+  E012+  E033+  H029+  H139+  I015+  I019+  I022+  I025+  I030+  I038+  M037+  M040+  M053+  M078+  M127+  N018+  P002+  P014+  P033+  P053+  P059+  P113+  S013+  T002+  T003+  T054+  T112+  X004+  A035+  A036+  A054+  A061+  A064+  A080+  B004+  B009+  B011+  B013+  B026+  C172+  D032+  D039+  D061+  D087+  D178+  D180+  D185+  E013+  F016+  G041+  H045+  I063+  I067+  K004+  K005+  L027+  L031+  M039+  M066+  M082+  M101+  M142+  M150+  M167+  M169+  M172+  N016+  N028+  N067+  O007+  P036+  P047+  P054+  P057+  P061+  P079+  Q001+  Q008+  S040+  S041+  S058+  T008+  T024+  T028+  T030+  T031+  T032+  T060+  T126+  D030+  A155+  N044+   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 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。

KOX00676p	307 C15H23N4O3	290 C15H20N3O3	262 C13H16N3O3	248 C14H18NO3	247 C14H19N2O2	219 C12H15N2O2	201 C12H13N2O	187 C8H15N2O3	174 C11H12NO	173 C11H13N2	170 C8H12NO3	144 C7H14NO2	142 C7H12NO2	122 C7H8NO	116 C5H10NO2	113 C5H9N2O	105 C7H5O	95 C5H7N2	77 C6H5	70 C4H8N
307 C15H23N4O3
290 C15H20N3O3	H3N
262 C13H16N3O3	C2H7N	C2H4
248 C14H18NO3	CH5N3	CH2N2
247 C14H19N2O2	CH4N2O	CHNO
219 C12H15N2O2	C3H8N2O	C3H5NO	CHNO		C2H4
201 C12H13N2O	C3H10N2O2	C3H7NO2	CH3NO2		C2H6O	H2O
187 C8H15N2O3	C7H8N2	C7H5N	C5HN
174 C11H12NO	C4H11N3O2	C4H8N2O2	C2H4N2O2	C3H6O2	C3H7NO	CH3NO	CHN
173 C11H13N2	C4H10N2O3	C4H7NO3	C2H3NO3		C3H6O2	CH2O2	CO
170 C8H12NO3	C7H11N3	C7H8N2	C5H4N2	C6H6				H3N
144 C7H14NO2	C8H9N3O	C8H6N2O	C6H2N2O	C7H4O	C7H5N	C5HN		CHNO
142 C7H12NO2	C8H11N3O	C8H8N2O	C6H4N2O	C7H6O	C7H7N	C5H3N		CH3NO			CO	H2
122 C7H8NO	C8H15N3O2	C8H12N2O2	C6H8N2O2	C7H10O2	C7H11NO	C5H7NO	C5H5N	CH7NO2	C4H4		CH4O2	H6O	H4O
116 C5H10NO2	C10H13N3O	C10H10N2O	C8H6N2O	C9H8O	C9H9N	C7H5N		C3H5NO			C3H2O	C2H4	C2H2
113 C5H9N2O	C10H14N2O2	C10H11NO2	C8H7NO2		C9H10O	C7H6O	C7H4	C3H6O2
105 C7H5O	C8H18N4O2	C8H15N3O2	C6H11N3O2	C7H13NO2	C7H14N2O	C5H10N2O	C5H8N2	CH10N2O2	C4H7N		CH7NO2	H9NO	H7NO	H3N
95 C5H7N2	C10H16N2O3	C10H13NO3	C8H9NO3		C9H12O2	C7H8O2	C7H6O	C3H8O3		C6H6						H2O
77 C6H5	C9H18N4O3	C9H15N3O3	C7H11N3O3	C8H13NO3	C8H14N2O2	C6H10N2O2	C6H8N2O	C2H10N2O3	C5H7NO	C5H8N2	C2H7NO3	CH9NO2	CH7NO2	CH3NO			CO
70 C4H8N	C11H15N3O3	C11H12N2O3	C9H8N2O3	C10H10O3	C10H11NO2	C8H7NO2	C8H5NO	C4H7NO3	C7H4O	C7H5N	C4H4O3	C3H6O2	C3H4O2	C3O	CH2O2	CHNO

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