Ojima:COX00007p

General Index

All Molecules KOX PR PBX COX

Ion Frequency

Prec.-Product

Neutral Loss

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Albuterol

IDs and Links
MassBank	Albuterol
CAS
Keio ID

Top 10 Similar Molecules of Albuterol

Ranking	About scoring
P002+ Score:24.44 A067+ Score:24.44 E033+ Score:21.78 T008+ Score:20.36 A080+ Score:20.36 S040+ Score:16.06 H045+ Score:14.82 B018+ Score:14.82 L031+ Score:14.76 A061+ Score:14.76	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 C9H12NO2:   A067+  E033+  P002+  B011+   Pages Related to Peak C9H10NO:   E033+  T041+   Pages Related to Peak C8H7NO:   D056+   Pages Related to Peak C9H8N:   E034+  H027+  I022+  I025+  I030+  I038+  M037+  M040+  M053+  M078+  T003+  T054+  A068+  G041+  I067+  M101+  M103+  M172+  N016+  Q008+  S041+  T031+  N044+   Pages Related to Peak C8H9O:   P075+  A080+  E007+  S040+  T008+   Pages Related to Peak C8H7:   A067+  B018+  I022+  I025+  I030+  I038+  M040+  M078+  P002+  T054+  A080+  A137+  D039+  D178+  D180+  E007+  G041+  H045+  I067+  M101+  M167+  N016+  P047+  Q008+  S040+  T008+  T030+  T031+   Pages Related to Peak C7H9:   A067+  B018+  G075+  P002+  A061+  A080+  H045+  L031+  T008+  T024+   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 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 C4H9:   D128+  G020+  G117+  L016+  N018+  P113+  T112+  V001+  Z002+  B010+  D038+  D061+  F013+  G046+  O007+  P157+  T126+  I064+

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。

COX00007p	240 C13H22NO3	222 C13H20NO2	166 C9H12NO2	148 C9H10NO	133 C8H7NO	130 C9H8N	121 C8H9O	103 C8H7	93 C7H9	91 C7H7	79 C6H7	77 C6H5	57 C4H9
240 C13H22NO3
222 C13H20NO2	H2O
166 C9H12NO2	C4H10O	C4H8
148 C9H10NO	C4H12O2	C4H10O	H2O
133 C8H7NO	C5H15O2	C5H13O	CH5O	CH3
130 C9H8N	C4H14O3	C4H12O2	H4O2	H2O
121 C8H9O	C5H13NO2	C5H11NO	CH3NO	CHN
103 C8H7	C5H15NO3	C5H13NO2	CH5NO2	CH3NO	NO	CHN	H2O
93 C7H9	C6H13NO3	C6H11NO2	C2H3NO2	C2HNO			CO
91 C7H7	C6H15NO3	C6H13NO2	C2H5NO2	C2H3NO	CNO	C2HN	CH2O	C	H2
79 C6H7	C7H15NO3	C7H13NO2	C3H5NO2	C3H3NO	C2NO	C3HN	C2H2O	C2	CH2	C
77 C6H5	C7H17NO3	C7H15NO2	C3H7NO2	C3H5NO	C2H2NO	C3H3N	C2H4O	C2H2	CH4	CH2	H2
57 C4H9	C9H13NO3	C9H11NO2	C5H3NO2	C5HNO			C4O		C3

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