Ojima:COX00091p

General Index

All Molecules KOX PR PBX COX

Ion Frequency

Prec.-Product

Neutral Loss

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Terfenadine

IDs and Links
MassBank	Terfenadine
CAS
Keio ID

Top 10 Similar Molecules of Terfenadine

Ranking	About scoring
N018+ Score:14.3 G075+ Score:6.64 I064+ Score:4.39 T126+ Score:4.39 P157+ Score:4.39 O007+ Score:4.39 G046+ Score:4.39 F013+ Score:4.39 D061+ Score:4.39 D038+ Score:4.39	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 C11H15:   G075+   Pages Related to Peak C10H9:   N018+   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+   Pages Related to Peak C4H9:   D128+  G020+  G117+  L016+  N018+  P113+  T112+  V001+  Z002+  B010+  D038+  D061+  F013+  G046+  O007+  P157+  T126+  I064+

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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。

COX00091p	472 C32H42NO2	454 C32H40NO	436 C32H38N	262 C19H20N	203 C14H19O	161 C11H13O	147 C11H15	131 C10H11	129 C10H9	91 C7H7	57 C4H9
472 C32H42NO2
454 C32H40NO	H2O
436 C32H38N	H4O2	H2O
262 C19H20N	C13H22O2	C13H20O	C13H18
203 C14H19O	C18H23NO	C18H21N
161 C11H13O	C21H29NO	C21H27N			C3H6
147 C11H15	C21H27NO2	C21H25NO	C21H23N	C8H5N	C3H4O
131 C10H11	C22H31NO2	C22H29NO	C22H27N	C9H9N	C4H8O	CH2O	CH4
129 C10H9	C22H33NO2	C22H31NO	C22H29N	C9H11N	C4H10O	CH4O	CH6	H2
91 C7H7	C25H35NO2	C25H33NO	C25H31N	C12H13N	C7H12O	C4H6O	C4H8	C3H4	C3H2
57 C4H9	C28H33NO2	C28H31NO	C28H29N	C15H11N	C10H10O	C7H4O	C7H6	C6H2	C6

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