Ojima:KOX00518p

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All Molecules KOX PR PBX COX

Ion Frequency

Prec.-Product

Neutral Loss

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Psychosine

IDs and Links
MassBank	Psychosine
CAS	2238-90-6
Keio ID	P067+

Top 10 Similar Molecules of Psychosine

Ranking	About scoring
P067+ Score:44.85 M011+ Score:6.23 S049+ Score:6.23 P190+ Score:5.72 M099+ Score:5.72 C114+ Score:5.72 A196+ Score:5.72 M110+ Score:5.02 A052+ Score:5.02 T014+ Score:5.02	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 C24H48NO7:   P067+   Pages Related to Peak C24H46NO6:   P067+   Pages Related to Peak C18H38NO2:   P067+   Pages Related to Peak C18H36NO:   P067+   Pages Related to Peak C18H34N:   P067+   Pages Related to Peak C17H34N:   P067+   Pages Related to Peak C6H11O4:   S049+  M011+   Pages Related to Peak C6H14N:   A196+  C114+  M099+  P190+   Pages Related to Peak C3H5O2:   A011+  A015+  A021+  C015+  D173+  P067+  T014+  A052+  M110+

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。

KOX00518p	462 C24H48NO7	444 C24H46NO6	300 C18H38NO2	282 C18H36NO	264 C18H34N	252 C17H34N	147 C6H11O4	100 C6H14N	73 C3H5O2
462 C24H48NO7
444 C24H46NO6	H2O
300 C18H38NO2	C6H10O5	C6H8O4
282 C18H36NO	C6H12O6	C6H10O5	H2O
264 C18H34N	C6H14O7	C6H12O6	H4O2	H2O
252 C17H34N	C7H14O7	C7H12O6	CH4O2	CH2O	C
147 C6H11O4	C18H37NO3	C18H35NO2
100 C6H14N	C18H34O7	C18H32O6	C12H24O2	C12H22O	C12H20	C11H20
73 C3H5O2	C21H43NO5	C21H41NO4	C15H33N				C3H6O2

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