Ojima:KOX00857p

General Index

All Molecules KOX PR PBX COX

Ion Frequency

Prec.-Product

Neutral Loss

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Phenoxybenzamine

IDs and Links
MassBank	Phenoxybenzamine
CAS
Keio ID	P206+

Top 10 Similar Molecules of Phenoxybenzamine

Ranking	About scoring
P206+ Score:55.81 M111+ Score:15.23 N016+ Score:9 A068+ Score:9 D178+ Score:8.18 L057+ Score:7.38 I063+ Score:7.38 B090+ Score:7.38 A061+ Score:7.38 S013+ Score:7.38	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 C12H19Cl:   P206+   Pages Related to Peak C12H18Cl:   P206+   Pages Related to Peak C11H16Cl:   P206+   Pages Related to Peak C9H13Cl:   P206+   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 C8H15:   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 C5H9:   A053+  A138+  A145+  E015+  F025+  F034+  G071+  I008+  L003+  N014+  P067+  S013+  T112+  A061+  B090+  C032+  D178+  I063+  L057+  P034+  P206+  P209+  T108+  A155+   Pages Related to Peak C4H7:   A053+  A135+  A189+  A196+  B020+  E015+  G003+  G032+  G050+  H064+  H073+  I015+  I022+  L003+  L004+  M035+  M078+  N009+  N018+  O009+  P048+  S013+  V001+  Z002+  A051+  A061+  A112+  A203+  A225+  B001+  B010+  B026+  B090+  C114+  D078+  D082+  D183+  E008+  F016+  G021+  H097+  I039+  I063+  L027+  L031+  L057+  M011+  M039+  M110+  M115+  O005+  P035+  P054+  P206+  S003+  V020+  D030+

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。

KOX00857p	304 C18H23ClNO	198 C12H19Cl	197 C12H18Cl	183 C11H16Cl	156 C9H13Cl	121 C8H11N	120 C8H10N	111 C8H15	106 C7H8N	69 C5H9	55 C4H7
304 C18H23ClNO
198 C12H19Cl	C6H4NO
197 C12H18Cl	C6H5NO	H
183 C11H16Cl	C7H7NO	CH3	CH2
156 C9H13Cl	C9H10NO	C3H6	C3H5	C2H3
121 C8H11N	C10H12ClO
120 C8H10N	C10H13ClO					H
111 C8H15	C10H8ClNO	C4H4Cl	C4H3Cl	C3HCl
106 C7H8N	C11H15ClO					CH3	CH2
69 C5H9	C13H14ClNO	C7H10Cl	C7H9Cl	C6H7Cl	C4H4Cl	C3H2N	C3HN	C3H6
55 C4H7	C14H16ClNO	C8H12Cl	C8H11Cl	C7H9Cl	C5H6Cl	C4H4N	C4H3N	C4H8	C3HN	CH2

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