MassBank: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
KOX00774p Score:13.15 KOX00573p Score:13.15 KOX00447p Score:13.15 KOX00018p Score:10.38 KOX00905p Score:9.32 KOX00712p Score:9.32 KOX00048p Score:9.32 KOX00799p Score:8.96 KOX00588p Score:8.96 KOX00776p Score:8.33	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。

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Annotations

Precursor	Product	Comments
C24H48NO7 (462)	C24H46NO6 (444)	-H2O
C24H48NO7 (462)	C18H38NO2 (300)	d
C24H48NO7 (462)	C18H36NO (282)	d,-H2O
C24H46NO6 (444)	C18H36NO (282)	IT
C24H46NO6 (444)	C18H34N (264)	IT
C18H36NO (282)	C18H34N (264)	IT
C18H36NO (282)	C17H34N (252)	IT

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	85 C4H5O2	82 C5H8N	73 C3H5O2	69 C5H9	69 C4H5O	61 C2H5O2
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
85 C4H5O2	C20H43NO5	C20H41NO4	C14H33N
82 C5H8N	C19H40O7	C19H38O6	C13H30O2	C13H28O	C13H26	C12H26
73 C3H5O2	C21H43NO5	C21H41NO4	C15H33N				C
69 C5H9	C19H39NO7	C19H37NO6	C13H29NO2	C13H27NO	C13H25N	C12H25N
69 C4H5O	C20H43NO6	C20H41NO5	C14H33NO	C14H31N			O
61 C2H5O2	C22H43NO5	C22H41NO4	C16H33N				C2		C

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