Ojima:COX00002p

General Index

All Molecules KOX PR PBX COX

Ion Frequency

Prec.-Product

Neutral Loss

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6a_Methylprednisolone

IDs and Links
MassBank	6a_Methylprednisolone
CAS
Keio ID

Top 10 Similar Molecules of 6a_Methylprednisolone

Ranking	About scoring
V021+ Score:11 T041+ Score:11 N018+ Score:9.91 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	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 C13H13O:   N018+   Pages Related to Peak C9H11O:   T041+  V021+   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+

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。

COX00002p	375 C22H31O5	357 C22H29O4	339 C22H27O3	253 C18H21O	211 C15H15O	185 C13H13O	161 C11H13O	135 C9H11O	121 C8H9O	105 C8H9	91 C7H7
375 C22H31O5
357 C22H29O4	H2O
339 C22H27O3	H4O2	H2O
253 C18H21O	C4H10O4	C4H8O3	C4H6O2
211 C15H15O	C7H16O4	C7H14O3	C7H12O2	C3H6
185 C13H13O	C9H18O4	C9H16O3	C9H14O2	C5H8	C2H2
161 C11H13O	C11H18O4	C11H16O3	C11H14O2	C7H8	C4H2	C2
135 C9H11O	C13H20O4	C13H18O3	C13H16O2	C9H10	C6H4	C4H2	C2H2
121 C8H9O	C14H22O4	C14H20O3	C14H18O2	C10H12	C7H6	C5H4	C3H4	CH2
105 C8H9	C14H22O5	C14H20O4	C14H18O3	C10H12O	C7H6O	C5H4O	C3H4O	CH2O	O
91 C7H7	C15H24O5	C15H22O4	C15H20O3	C11H14O	C8H8O	C6H6O	C4H6O	C2H4O	CH2O	CH2

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