Ojima:COX00023p

General Index

All Molecules KOX PR PBX COX

Ion Frequency

Prec.-Product

Neutral Loss

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Cymarin

IDs and Links
MassBank	Cymarin
CAS
Keio ID

Top 10 Similar Molecules of Cymarin

Ranking	About scoring
G062+ Score:9.06 A197+ Score:6.23 T065+ Score:6.23 O016+ Score:5.54 D106+ Score:5.54 P032+ Score:5.54 D064+ Score:5.54 A050+ Score:5.54 Q001+ Score:5.25 B013+ Score:5.25	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 C11H13:   T065+  A197+   Pages Related to Peak C6H9O2:   A050+  D064+  P032+  D106+  O016+   Pages Related to Peak C6H7O:   G062+  H139+  P033+  P055+  T002+  B013+  Q001+   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。

COX00023p	549 C30H45O9	405 C23H33O6	387 C23H31O5	369 C23H29O4	359 C22H31O4	351 C23H27O3	341 C22H29O3	323 C22H27O2	145 C11H13	113 C6H9O2	95 C6H7O	69 C4H5O
549 C30H45O9
405 C23H33O6	C7H12O3
387 C23H31O5	C7H14O4	H2O
369 C23H29O4	C7H16O5	H4O2	H2O
359 C22H31O4	C8H14O5	CH2O2	CO
351 C23H27O3	C7H18O6	H6O3	H4O2	H2O
341 C22H29O3	C8H16O6	CH4O3	CH2O2	CO	H2O
323 C22H27O2	C8H18O7	CH6O4	CH4O3	CH2O2	H4O2	CO	H2O
145 C11H13	C19H32O9	C12H20O6	C12H18O5	C12H16O4	C11H18O4	C12H14O3	C11H16O3	C11H14O2
113 C6H9O2	C24H36O7	C17H24O4	C17H22O3	C17H20O2	C16H22O2	C17H18O	C16H20O	C16H18
95 C6H7O	C24H38O8	C17H26O5	C17H24O4	C17H22O3	C16H24O3	C17H20O2	C16H22O2	C16H20O		H2O
69 C4H5O	C26H40O8	C19H28O5	C19H26O4	C19H24O3	C18H26O3	C19H22O2	C18H24O2	C18H22O		C2H4O	C2H2

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