Ojima:KOX00422p

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All Molecules KOX PR PBX COX

Ion Frequency

Prec.-Product

Neutral Loss

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Milrinone

IDs and Links
MassBank	Milrinone
CAS	78415-72-2
Keio ID	M037+

Top 10 Similar Molecules of Milrinone

Ranking	About scoring
M037+ Score:62.64 N044+ Score:18.38 N016+ Score:18.38 H027+ Score:17.83 I022+ Score:16.82 P014+ Score:15.69 D180+ Score:14.23 C172+ Score:12.55 B009+ Score:11.86 T031+ Score:10.88	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 C12H10N3O:   M037+   Pages Related to Peak C12H8N3:   M037+   Pages Related to Peak C11H10N3:   M037+  C172+   Pages Related to Peak C11H7N2:   M037+   Pages Related to Peak C10H9N2:   H027+  I022+  M037+   Pages Related to Peak C10H6N:   M037+   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 C7H8NO:   M037+  P014+  B009+  B026+  S044+   Pages Related to Peak C6H8N:   A010+  A043+  A130+  A220+  C040+  D166+  E033+  G101+  H027+  H029+  H139+  M037+  P014+  P053+  A054+  A068+  A069+  A123+  B009+  B011+  C172+  D032+  D039+  D087+  D180+  K004+  K005+  M063+  M111+  M150+  M172+  N016+  N063+  P079+  S044+  T060+  T122+  N044+   Pages Related to Peak C7H5:   C063+  E033+  H027+  H029+  I022+  I025+  I030+  I038+  M037+  M040+  M053+  M078+  T003+  T054+  A035+  A036+  D178+  D180+  K005+  M101+  M103+  N016+  S041+  T031+  N044+   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 C4H5:   A010+  A042+  A135+  B019+  C013+  F008+  F014+  G065+  G101+  M037+  N004+  O003+  P003+  P014+  B010+  C114+  D178+  D180+  G021+  H097+  I017+  I051+  M013+  M039+  M063+  N001+  N016+  N067+  P041+  P183+  S016+  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。

KOX00422p	212 C12H10N3O	194 C12H8N3	184 C11H10N3	167 C11H7N2	157 C10H9N2	140 C10H6N	130 C9H8N	122 C7H8NO	94 C6H8N	89 C7H5	77 C6H5	53 C4H5
212 C12H10N3O
194 C12H8N3	H2O
184 C11H10N3	CO
167 C11H7N2	CH3NO	CHN	H3N
157 C10H9N2	C2HNO		CHN
140 C10H6N	C2H4N2O	C2H2N2	CH4N2	CHN	H3N
130 C9H8N	C3H2N2O	C3N2	C2H2N2		CHN
122 C7H8NO	C5H2N2
94 C6H8N	C6H2N2O	C6N2	C5H2N2		C4HN		C3	CO
89 C7H5	C5H5N3O	C5H3N3	C4H5N3	C4H2N2	C3H4N2	C3HN	C2H3N	H3NO
77 C6H5	C6H5N3O	C6H3N3	C5H5N3	C5H2N2	C4H4N2	C4HN	C3H3N	CH3NO	H3N	C
53 C4H5	C8H5N3O	C8H3N3	C7H5N3	C7H2N2	C6H4N2	C6HN	C5H3N	C3H3NO	C2H3N	C3	C2

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