Ojima:COX00046p

General Index

All Molecules KOX PR PBX COX

Ion Frequency

Prec.-Product

Neutral Loss

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Hydroxybutorphanol

IDs and Links
MassBank	Hydroxybutorphanol
CAS
Keio ID

Top 10 Similar Molecules of Hydroxybutorphanol

[show] Ranking	About scoring
P192+ Score:21.39 T061+ Score:17.81 D075+ Score:14.83 T024+ Score:11.57 I063+ Score:11.57 P054+ Score:9.69 A053+ Score:9.69 E007+ Score:8.92 P002+ Score:6.64 N018+ Score:6.64	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。

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[show] Page list for each fragment

Pages Related to Peak C13H13O:   N018+   Pages Related to Peak C10H10NO:   M078+  E007+  S041+   Pages Related to Peak C11H9O:   P192+   Pages Related to Peak C10H9O:   P192+   Pages Related to Peak C8H14NO:   D075+  T061+   Pages Related to Peak C9H7O:   P002+   Pages Related to Peak C6H12N:   O009+  B040+  D075+  I063+  O016+  P192+  T024+  T061+   Pages Related to Peak C6H10N:   A053+  P054+   Pages Related to Peak C5H7:   A018+  A050+  A053+  A122+  A127+  A174+  B020+  C119+  D055+  G062+  G065+  H064+  H073+  L004+  M035+  N014+  P014+  P032+  P048+  P055+  Z002+  A061+  A068+  A080+  A170+  C032+  C043+  C114+  D075+  D078+  F016+  G021+  H045+  I063+  K005+  L027+  L031+  M033+  M039+  M169+  O007+  P034+  P054+  S040+  T024+  T061+  V021+   Pages Related to Peak C3H6N:   A031+  A050+  A065+  A073+  A093+  A110+  A127+  A135+  A174+  C012+  C094+  E005+  E011+  E033+  F034+  G005+  G018+  G019+  G032+  G043+  H002+  H013+  H064+  H073+  I008+  L004+  M003+  M035+  M114+  O008+  P048+  P059+  P092+  T010+  T015+  T020+  V001+  A020+  A046+  A069+  A194+  B044+  B047+  C028+  C043+  C044+  D033+  D036+  D038+  D087+  E007+  E056+  G006+  H003+  H058+  I053+  I063+  L027+  M025+  M029+  M077+  M124+  M126+  M169+  P034+  P046+  P074+  P192+  T022+  T024+  T027+  T061+  T098+  T122+  D030+  A204+  M022+

Annotations

Precursor-Product Relationship

[show] 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。

[hide] COX00046p	344 C21H30NO3	326 C21H28NO2	282 C19H24NO	242 C16H20NO	199 C14H15O	185 C13H13O	160 C10H10NO	157 C11H9O	145 C10H9O	140 C8H14NO	131 C9H7O	98 C6H12N	96 C6H10N	67 C5H7	56 C3H6N
344 C21H30NO3
326 C21H28NO2	H2O
282 C19H24NO	C2H6O2	C2H4O
242 C16H20NO	C5H10O2	C5H8O	C3H4
199 C14H15O	C7H15NO2	C7H13NO	C5H9N	C2H5N
185 C13H13O	C8H17NO2	C8H15NO	C6H11N	C3H7N	CH2
160 C10H10NO	C11H20O2	C11H18O	C9H14	C6H10
157 C11H9O	C10H21NO2	C10H19NO	C8H15N	C5H11N	C3H6	C2H4
145 C10H9O	C11H21NO2	C11H19NO	C9H15N	C6H11N	C4H6	C3H4	HN	C
140 C8H14NO	C13H16O2	C13H14O	C11H10	C8H6
131 C9H7O	C12H23NO2	C12H21NO	C10H17N	C7H13N	C5H8	C4H6	CH3N	C2H2	CH2
98 C6H12N	C15H18O3	C15H16O2	C13H12O	C10H8O						C2H2O
96 C6H10N	C15H20O3	C15H18O2	C13H14O	C10H10O			C4O			C2H4O		H2
67 C5H7	C16H23NO3	C16H21NO2	C14H17NO	C11H13NO	C9H8O	C8H6O	C5H3NO	C6H2O	C5H2O	C3H7NO	C4O	CH5N	CH3N
56 C3H6N	C18H24O3	C18H22O2	C16H18O	C13H14O			C7H4O			C5H8O		C3H6	C3H4

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