MassBank:KOX00659p

General Index

All Molecules KOX PR PBX COX

Ion Frequency

Prec.-Product

Neutral Loss

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O-Acetylcarnitine

IDs and Links
MassBank	O-Acetylcarnitine
CAS
Keio ID	A143+

Top 10 Similar Molecules of O-Acetylcarnitine

Ranking	About scoring
KOX00686p Score:15.84 KOX00593p Score:9.97 KOX00740p Score:9.79 KOX00739p Score:9.79 KOX00447p Score:9.79 KOX00272p Score:9.79 KOX00868p Score:8.99 KOX00573p Score:8.91 KOX00676p Score:5.94 KOX00652p Score:5.94	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 C7H16NO3:   KOX00686p   Pages Related to Peak C6H9O4:   KOX00272p  KOX00447p  KOX00739p  KOX00740p   Pages Related to Peak C7H14NO2:   KOX00122p  KOX00652p  KOX00676p   Pages Related to Peak C4H5O2:   KOX00004p  KOX00022p  KOX00048p  KOX00225p  KOX00256p  KOX00259p  KOX00270p  KOX00272p  KOX00281p  KOX00288p  KOX00292p  KOX00440p  KOX00447p  KOX00518p  KOX00573p  KOX00686p  KOX00702p  KOX00712p  KOX00729p  KOX00739p  KOX00740p  KOX00774p  KOX00794p  KOX00795p  KOX00905p   Pages Related to Peak C5H10N:   KOX00041p  KOX00069p  KOX00095p  KOX00343p  KOX00347p  KOX00393p  KOX00420p  KOX00459p  KOX00508p  KOX00647p  KOX00648p  KOX00654p  KOX00655p  KOX00661p  KOX00687p  KOX00766p  KOX00769p  KOX00811p  KOX00861p  KOX00862p  KOX00868p  KOX00890p  KOX00900p   Pages Related to Peak C3H10N:   KOX00039p  KOX00593p  KOX00644p  KOX00686p  KOX00688p  KOX00696p  KOX00741p  KOX00838p   Pages Related to Peak C3H5O:   KOX00174p  KOX00573p  KOX00586p  KOX00593p  KOX00640p  KOX00662p  KOX00721p  KOX00778p  KOX00868p  KOX00893p  KOX00907p

Annotations

Precursor	Product	Comments
C9H18NO4 (204)	C7H16NO3 (162)	a
C9H18NO4 (204)	C6H9O4 (145)	c
C9H18NO4 (204)	C7H14NO2 (144)	a,-H2O[g]
C9H18NO4 (204)	C3H10N (60)	f
C6H9O4 (145)	C4H5O2 (85)	IT
C4H5O2 (85)	C3H5O (57)	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。

KOX00659p	204 C9H18NO4	162 C7H16NO3	145 C6H9O4	144 C7H14NO2	85 C4H5O2	84 C5H10N	60 C3H10N	57 C3H5O
204 C9H18NO4
162 C7H16NO3	C2H2O
145 C6H9O4	C3H9N
144 C7H14NO2	C2H4O2	H2O
85 C4H5O2	C5H13NO2	C3H11NO	C2H4O2	C3H9N
84 C5H10N	C4H8O4	C2H6O3		C2H4O2
60 C3H10N	C6H8O4	C4H6O3		C4H4O2		C2
57 C3H5O	C6H13NO3	C4H11NO2	C3H4O3	C4H9NO	CO

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