Ojima:KOX00205p

General Index

All Molecules KOX PR PBX COX

Ion Frequency

Prec.-Product

Neutral Loss

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Doxorubicin

IDs and Links
MassBank	Doxorubicin
CAS	23214-92-8
Keio ID	D064+

Top 10 Similar Molecules of Doxorubicin

Ranking	About scoring
D064+ Score:54.47 D106+ Score:21.28 G051+ Score:12.3 G046+ Score:12.3 G065+ Score:12.3 A050+ Score:10.67 P032+ Score:9.65 A052+ Score:8.49 A138+ Score:8.49 M082+ Score:8.19	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 C27H30NO11:   D064+   Pages Related to Peak C21H19O9:   D064+   Pages Related to Peak C21H17O8:   D064+   Pages Related to Peak C21H15O7:   D064+   Pages Related to Peak C21H13O6:   D064+   Pages Related to Peak C19H13O5:   D064+  D106+   Pages Related to Peak C6H12NO2:   A050+  A127+  A174+  D064+  H073+  L004+  P048+  D106+   Pages Related to Peak C6H9O2:   A050+  D064+  P032+  D106+  O016+   Pages Related to Peak C4H8NO:   A002+  A138+  A191+  C013+  D064+  G032+  G065+  H048+  I015+  R016+  A052+  A194+  D106+  G046+  G051+  H004+  M082+  T098+   Pages Related to Peak C3H6NO:   A011+  A015+  A021+  A138+  C034+  C094+  D173+  E005+  G061+  G065+  P032+  A051+  A052+  A111+  A197+  C008+  D122+  G046+  G051+  L047+  M081+  N063+  P177+  S044+   Pages Related to Peak C4H5O:   A002+  A007+  A018+  A037+  A122+  A133+  A191+  G003+  G015+  G032+  G062+  G065+  H013+  M080+  O015+  P067+  P075+  R016+  S049+  T014+  A194+  C043+  D069+  G021+  G046+  G051+  M011+  M024+  M081+  M082+  M110+  P081+  U006+

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。

KOX00205p	544 C27H30NO11	415 C21H19O9	397 C21H17O8	379 C21H15O7	361 C21H13O6	321 C19H13O5	130 C6H12NO2	113 C6H9O2	86 C4H8NO	72 C3H6NO	69 C4H5O
544 C27H30NO11
415 C21H19O9	C6H11NO2
397 C21H17O8	C6H13NO3	H2O
379 C21H15O7	C6H15NO4	H4O2	H2O
361 C21H13O6	C6H17NO5	H6O3	H4O2	H2O
321 C19H13O5	C8H17NO6	C2H6O4	C2H4O3	C2H2O2	C2O
130 C6H12NO2	C21H18O9
113 C6H9O2	C21H21NO9	C15H10O7	C15H8O6	C15H6O5	C15H4O4	C13H4O3	H3N
86 C4H8NO	C23H22O10						C2H4O
72 C3H6NO	C24H24O10						C3H6O		CH2
69 C4H5O	C23H25NO10	C17H14O8	C17H12O7	C17H10O6	C17H8O5	C15H8O4	C2H7NO	C2H4O	H3N

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