Ojima:KOX00715p

General Index

All Molecules KOX PR PBX COX

Ion Frequency

Prec.-Product

Neutral Loss

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Daunorubicin

IDs and Links
MassBank	Daunorubicin
CAS	20830-81-3
Keio ID	D106+

Top 10 Similar Molecules of Daunorubicin

Ranking	About scoring
D106+ Score:47.83 D064+ Score:21.28 A050+ Score:10.67 P032+ Score:9.65 G051+ Score:8.49 G046+ Score:8.49 A052+ Score:8.49 G065+ Score:8.49 A138+ Score:8.49 O016+ Score:5.53	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 C27H30NO10:   D106+   Pages Related to Peak C21H19O8:   D106+   Pages Related to Peak C21H17O7:   D106+   Pages Related to Peak C21H15O6:   D106+   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+

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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。

KOX00715p	528 C27H30NO10	399 C21H19O8	381 C21H17O7	363 C21H15O6	321 C19H13O5	130 C6H12NO2	113 C6H9O2	86 C4H8NO	72 C3H6NO
528 C27H30NO10
399 C21H19O8	C6H11NO2
381 C21H17O7	C6H13NO3	H2O
363 C21H15O6	C6H15NO4	H4O2	H2O
321 C19H13O5	C8H17NO5	C2H6O3	C2H4O2	C2H2O
130 C6H12NO2	C21H18O8
113 C6H9O2	C21H21NO8	C15H10O6	C15H8O5	C15H6O4	C13H4O3	H3N
86 C4H8NO	C23H22O9					C2H4O
72 C3H6NO	C24H24O9					C3H6O		CH2

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