Ojima:KOX00514p

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All Molecules KOX PR PBX COX

Ion Frequency

Prec.-Product

Neutral Loss

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Phenylephrine

IDs and Links
MassBank	Phenylephrine
CAS	59-42-7
Keio ID	P059+

Top 10 Similar Molecules of Phenylephrine

Ranking	About scoring
P059+ Score:42.09 S058+ Score:35.16 M167+ Score:33.11 E013+ Score:29.52 N028+ Score:24.46 I050+ Score:21.48 D185+ Score:18.81 A061+ Score:18.08 M127+ Score:17.72 E033+ Score:16.98	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 C9H14NO2:   P059+  E013+  M167+  S058+   Pages Related to Peak C9H12NO:   B018+  P059+  P075+  M167+  N063+  S058+   Pages Related to Peak C8H9NO:   I050+  P059+  S058+   Pages Related to Peak C8H8NO:   D056+  I050+  M127+  P053+  P113+  H050+  M167+  N028+  S058+   Pages Related to Peak C7H9O:   P059+  D185+  E013+  N028+   Pages Related to Peak C7H7O:   C063+  D046+  D056+  E033+  I050+  P059+  T002+  A137+  D185+  E007+  M167+  M169+  N028+  P070+  S058+  T032+  T033+  T041+  T126+  V021+   Pages Related to Peak C6H6O:   I050+  P059+   Pages Related to Peak C7H7:   A067+  B015+  B018+  B020+  C040+  D046+  E033+  E034+  H027+  H139+  I025+  M040+  M053+  M127+  N018+  P002+  P059+  S013+  T002+  T003+  T054+  Z003+  A061+  A068+  A080+  A137+  A226+  B013+  C172+  D039+  D087+  D122+  D185+  E013+  F016+  G041+  H045+  K004+  L031+  M071+  M101+  M103+  M167+  M169+  M172+  P061+  P070+  P206+  Q001+  S058+  T008+  T024+  T030+  T031+  T032+  T044+  D030+   Pages Related to Peak C6H9:   C040+  G075+  A061+  D078+  E013+  M039+   Pages Related to Peak C6H7:   A053+  A067+  B020+  C063+  E012+  E033+  M127+  P002+  P113+  A035+  A061+  B009+  B090+  D032+  D039+  D178+  D180+  E013+  L031+  M039+  M082+  M167+  N028+  P047+  P061+  S040+  T041+  T060+  T126+  A082+   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 C5H5:   A010+  A042+  A043+  A050+  A130+  A220+  B007+  B015+  B072+  C040+  D046+  D057+  D166+  E012+  E033+  F034+  G101+  H029+  H139+  I019+  I025+  M003+  M037+  M127+  N012+  P002+  P014+  P053+  P059+  P113+  S013+  S079+  T002+  T054+  U011+  X004+  Z003+  A061+  A068+  A114+  B011+  B013+  C047+  C170+  C172+  D032+  D044+  D087+  D122+  D178+  D180+  D185+  E008+  E013+  K004+  M013+  M039+  M063+  M066+  M071+  M101+  M150+  M167+  M172+  N016+  N028+  P035+  P047+  P056+  P061+  P079+  P183+  P190+  Q001+  S016+  S041+  S058+  T008+  T028+  T030+  T031+  T032+  T044+  T060+  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。

KOX00514p	168 C9H14NO2	150 C9H12NO	135 C8H9NO	134 C8H8NO	109 C7H9O	107 C7H7O	94 C6H6O	91 C7H7	81 C6H9	79 C6H7	77 C6H5	65 C5H5
168 C9H14NO2
150 C9H12NO	H2O
135 C8H9NO	CH5O	CH3
134 C8H8NO	CH6O	CH4	H
109 C7H9O	C2H5NO	C2H3N	CN
107 C7H7O	C2H7NO	C2H5N	CH2N	CHN	H2
94 C6H6O	C3H8NO	C3H6N	C2H3N	C2H2N	CH3	CH
91 C7H7	C2H7NO2	C2H5NO	CH2NO	CHNO	H2O	O
81 C6H9	C3H5NO2	C3H3NO	C2NO		CO
79 C6H7	C3H7NO2	C3H5NO	C2H2NO	C2HNO	CH2O	CO		C	H2
77 C6H5	C3H9NO2	C3H7NO	C2H4NO	C2H3NO	CH4O	CH2O	HO	CH2	H4	H2
65 C5H5	C4H9NO2	C4H7NO	C3H4NO	C3H3NO	C2H4O	C2H2O	CHO	C2H2	CH4	CH2	C

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