MassBank:KOX00024p

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All Molecules KOX PR PBX COX

Ion Frequency

Prec.-Product

Neutral Loss

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N-Acetylornithine

IDs and Links
MassBank	N-Acetylornithine
CAS
Keio ID	A032+

Top 10 Similar Molecules of N-Acetylornithine

Ranking	About scoring
KOX00818p Score:23.76 KOX00848p Score:22.53 KOX00029p Score:22.47 KOX00676p Score:21.25 KOX00474p Score:19.65 KOX00225p Score:19.5 KOX00868p Score:18.59 KOX00138p Score:18.42 KOX00478p Score:17.28 KOX00648p Score:12.44	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 C7H15N2O3:   KOX00225p   Pages Related to Peak C7H12NO3:   KOX00225p  KOX00868p   Pages Related to Peak C7H13N2O2:   KOX00225p   Pages Related to Peak C7H10NO2:   KOX00868p   Pages Related to Peak C5H13N2O2:   KOX00029p  KOX00474p  KOX00818p  KOX00903p   Pages Related to Peak C5H10NO2:   KOX00029p  KOX00064p  KOX00138p  KOX00440p  KOX00474p  KOX00478p  KOX00487p  KOX00635p  KOX00676p  KOX00818p  KOX00848p   Pages Related to Peak C5H11N2O:   KOX00138p  KOX00223p  KOX00306p  KOX00474p  KOX00818p  KOX00848p  KOX00903p   Pages Related to Peak C6H10NO:   KOX00512p  KOX00687p  KOX00769p  KOX00868p   Pages Related to Peak C5H9N2:   KOX00086p  KOX00138p  KOX00229p  KOX00233p  KOX00308p  KOX00396p  KOX00478p  KOX00552p  KOX00648p  KOX00653p  KOX00676p  KOX00750p  KOX00791p  KOX00793p  KOX00848p  KOX00911p   Pages Related to Peak C4H10NO:   KOX00665p  KOX00682p  KOX00698p  KOX00874p   Pages Related to Peak C4H11N2:   KOX00679p  KOX00827p  KOX00873p   Pages Related to Peak C2H4NO2:   KOX00012p  KOX00014p  KOX00029p  KOX00051p  KOX00069p  KOX00086p  KOX00122p  KOX00140p  KOX00167p  KOX00251p  KOX00254p  KOX00268p  KOX00288p  KOX00308p  KOX00335p  KOX00343p  KOX00393p  KOX00406p  KOX00454p  KOX00499p  KOX00582p  KOX00593p  KOX00646p  KOX00676p  KOX00702p  KOX00729p  KOX00748p  KOX00766p   Pages Related to Peak C4H10N:   KOX00029p  KOX00079p  KOX00100p  KOX00233p  KOX00464p  KOX00478p  KOX00623p  KOX00641p  KOX00648p  KOX00653p  KOX00654p  KOX00655p  KOX00669p  KOX00676p  KOX00762p  KOX00773p  KOX00818p  KOX00820p  KOX00848p  KOX00854p  KOX00856p  KOX00861p  KOX00862p  KOX00908p   Pages Related to Peak C4H8N:   KOX00029p  KOX00064p  KOX00138p  KOX00279p  KOX00306p  KOX00364p  KOX00398p  KOX00440p  KOX00474p  KOX00478p  KOX00487p  KOX00512p  KOX00635p  KOX00638p  KOX00648p  KOX00652p  KOX00655p  KOX00676p  KOX00679p  KOX00698p  KOX00736p  KOX00743p  KOX00752p  KOX00818p  KOX00827p  KOX00830p  KOX00838p  KOX00848p  KOX00873p  KOX00874p  KOX00890p  KOX00912p

Annotations

Precursor	Product	Comments
C7H15N2O3 (175)	C7H12NO3 (158)	c
C7H15N2O3 (175)	C7H13N2O2 (157)	-H2O
C7H15N2O3 (175)	C5H13N2O2 (133)	b
C7H15N2O3 (175)	C5H10NO2 (116)	b,-NH3
C7H12NO3 (158)	C7H10NO2 (140)	IT
C7H12NO3 (158)	C5H10NO2 (116)	IT
C7H12NO3 (158)	C6H10NO (112)	IT
C7H13N2O2 (157)	C7H11N2O (139)	IT
C7H13N2O2 (157)	C5H11N2O (115)	IT
C7H10NO2 (140)	C6H10NO (112)	IT
C5H11N2O (115)	C5H9N2 (97)	IT
C5H11N2O (115)	C4H11N2 (87)	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。

KOX00024p	175 C7H15N2O3	158 C7H12NO3	157 C7H13N2O2	140 C7H10NO2	139 C7H11N2O	133 C5H13N2O2	116 C5H10NO2	115 C5H11N2O	112 C6H10NO	97 C5H9N2	88 C4H10NO	87 C4H11N2	74 C2H4NO2	72 C4H10N	70 C4H8N
175 C7H15N2O3
158 C7H12NO3	H3N
157 C7H13N2O2	H2O
140 C7H10NO2	H5NO	H2O	H3N
139 C7H11N2O	H4O2		H2O
133 C5H13N2O2	C2H2O		C2
116 C5H10NO2	C2H5NO	C2H2O	C2H3N	C2		H3N
115 C5H11N2O	C2H4O2		C2H2O		C2	H2O
112 C6H10NO	CH5NO2	CH2O2	CH3NO	CO	CHN
97 C5H9N2	C2H6O3		C2H4O2		C2H2O	H4O2		H2O
88 C4H10NO	C3H5NO2	C3H2O2	C3H3NO	C3O	C3HN	CH3NO	CO	CHN	C2
87 C4H11N2	C3H4O3		C3H2O2		C3O	CH2O2		CO
74 C2H4NO2	C5H11NO	C5H8O	C5H9N	C5H6		C3H9N	C3H6
72 C4H10N	C3H5NO3	C3H2O3	C3H3NO2	C3O2	C3HNO	CH3NO2	CO2	CHNO	C2O		O	HN
70 C4H8N	C3H7NO3	C3H4O3	C3H5NO2	C3H2O2	C3H3NO	CH5NO2	CH2O2	CH3NO	C2H2O	CHN	H2O	H3N		H2

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