Ojima:KOX00800p

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All Molecules KOX PR PBX COX

Ion Frequency

Prec.-Product

Neutral Loss

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Metyrapone

IDs and Links
MassBank	Metyrapone
CAS	54-36-4
Keio ID	M111+

Top 10 Similar Molecules of Metyrapone

Ranking	About scoring
M111+ Score:39.96 A068+ Score:23.75 M063+ Score:20 N016+ Score:19.95 E012+ Score:18.82 P206+ Score:15.23 N044+ Score:15.02 P053+ Score:15.02 P079+ Score:14.75 D166+ Score:13.04	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 C14H15N2O:   M111+   Pages Related to Peak C12H11N2:   D166+  H029+  A123+  M111+   Pages Related to Peak C8H11N:   M111+  P206+   Pages Related to Peak C8H10N:   A067+  B018+  E033+  P002+  Z003+  A068+  D087+  M111+  N016+  P206+   Pages Related to Peak C7H8N:   E012+  I050+  M040+  M053+  M127+  P014+  P053+  P113+  T054+  A035+  A036+  A068+  D032+  D178+  D180+  M101+  M103+  M111+  M172+  N016+  P061+  P206+  S041+  T031+  N044+   Pages Related to Peak C6H7N:   A010+  A042+  A043+  A130+  A220+  B007+  D166+  E012+  G101+  H027+  H139+  N012+  P014+  P053+  T003+  T054+  A035+  A068+  A069+  A123+  B011+  C172+  D039+  D044+  D180+  K005+  M063+  M066+  M101+  M111+  M142+  M172+  N016+  P035+  P036+  P056+  P079+  P190+  S016+  S041+  T028+  T031+  T060+  N044+   Pages Related to Peak C6H6N:   A010+  A042+  A043+  A220+  B007+  B072+  D166+  E012+  G101+  I019+  N012+  S079+  U011+  A068+  A114+  B011+  C170+  D032+  D044+  H050+  K004+  M063+  M066+  P035+  P036+  P047+  P056+  P079+  P183+  P190+  S016+  T028+  T060+   Pages Related to Peak C5H6N:   A042+  A220+  B072+  D057+  E012+  G101+  I050+  N004+  P053+  P094+  R016+  S079+  A068+  B026+  D180+  G021+  G046+  H050+  H097+  I017+  I051+  M013+  M063+  N001+  N016+  P035+  P041+  P079+  P183+  S016+  M022+  N044+   Pages Related to Peak C5H5N:   I066+  N004+  I017+  I051+  M063+  M111+  N001+   Pages Related to Peak C5H4N:   A043+  E012+  H015+  H027+  I066+  M037+  N004+  P014+  P053+  P068+  P094+  P113+  A052+  A068+  A123+  C089+  C170+  D032+  F013+  H021+  H058+  H112+  I017+  I051+  M063+  M066+  M111+  M172+  N001+  N016+  N067+  P045+  P056+  P057+  P079+  P099+  Q001+  Q008+  T060+  D030+  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。

KOX00800p	227 C14H15N2O	183 C12H11N2	121 C8H11N	120 C8H10N	106 C7H8N	93 C6H7N	92 C6H6N	80 C5H6N	79 C5H5N	78 C5H4N
227 C14H15N2O
183 C12H11N2	C2H4O
121 C8H11N	C6H4NO	C4N
120 C8H10N	C6H5NO	C4HN	H
106 C7H8N	C7H7NO	C5H3N	CH3	CH2
93 C6H7N	C8H8NO	C6H4N	C2H4	C2H3	CH
92 C6H6N	C8H9NO	C6H5N	C2H5	C2H4	CH2	H
80 C5H6N	C9H9NO	C7H5N	C3H5	C3H4	C2H2	CH	C
79 C5H5N	C9H10NO	C7H6N	C3H6	C3H5	C2H3	CH2	CH	H
78 C5H4N	C9H11NO	C7H7N	C3H7	C3H6	C2H4	CH3	CH2	H2	H

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