Ojima:COX00080p

General Index

All Molecules KOX PR PBX COX

Ion Frequency

Prec.-Product

Neutral Loss

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Salmeterol

IDs and Links
MassBank	Salmeterol
CAS
Keio ID

Top 10 Similar Molecules of Salmeterol

Ranking	About scoring
T041+ Score:11 E033+ Score:9.5 T008+ Score:8.81 A080+ Score:8.81 M169+ Score:8.04 M167+ Score:8.04 F016+ Score:8.04 D039+ Score:8.04 S013+ Score:8.04 S040+ Score:5.54	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 C9H10NO:   E033+  T041+   Pages Related to Peak C8H9O:   P075+  A080+  E007+  S040+  T008+   Pages Related to Peak C8H9:   S013+  D039+  D178+  D180+  F016+  M082+  M167+  M169+  P047+  S041+  T041+  V021+   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+

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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。

COX00080p	416 C25H38NO4	398 C25H36NO3	380 C25H34NO2	248 C15H22NO2	232 C15H22NO	230 C15H20NO	148 C9H10NO	121 C8H9O	105 C8H9	91 C7H7
416 C25H38NO4
398 C25H36NO3	H2O
380 C25H34NO2	H4O2	H2O
248 C15H22NO2	C10H16O2	C10H14O	C10H12
232 C15H22NO	C10H16O3	C10H14O2	C10H12O	O
230 C15H20NO	C10H18O3	C10H16O2	C10H14O	H2O	H2
148 C9H10NO	C16H28O3	C16H26O2	C16H24O	C6H12O	C6H12	C6H10
121 C8H9O	C17H29NO3	C17H27NO2	C17H25NO	C7H13NO	C7H13N	C7H11N	CHN
105 C8H9	C17H29NO4	C17H27NO3	C17H25NO2	C7H13NO2	C7H13NO	C7H11NO	CHNO	O
91 C7H7	C18H31NO4	C18H29NO3	C18H27NO2	C8H15NO2	C8H15NO	C8H13NO	C2H3NO	CH2O	CH2

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