MassBank:KOX00053p

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All Molecules KOX PR PBX COX

Ion Frequency

Prec.-Product

Neutral Loss

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N-Acetylphenylalanine

IDs and Links
MassBank	N-Acetylphenylalanine
CAS	2018-61-3
Keio ID	A067+

Top 10 Similar Molecules of N-Acetylphenylalanine

Ranking	About scoring
KOX00485p Score:39.26 KOX00236p Score:24.52 KOX00834p Score:22.46 KOX00122p Score:20 KOX00703p Score:17.54 KOX00658p Score:16.67 KOX00808p Score:15.56 KOX00811p Score:15.35 KOX00872p Score:14.98 KOX00747p Score:14.98	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
C11H14NO3 (208)	C11H12NO2 (190)	-H2O
C11H14NO3 (208)	C9H12NO2 (166)	a
C11H14NO3 (208)	C10H12NO (162)	c
C11H14NO3 (208)	C9H9O2 (149)	b
C11H14NO3 (208)	C7H9 (93)	d
C11H14NO3 (208)	C7H7 (91)	d
C11H14NO3 (208)	C6H7 (79)	e
C11H14NO3 (208)	C6H5 (77)	e
C9H12NO2 (166)	C9H9O2 (149)	IT
C9H12NO2 (166)	C8H10N (120)	IT
C10H12NO (162)	C8H10N (120)	IT
C8H10N (120)	C8H7 (103)	IT
C8H10N (120)	C7H9 (93)	IT
C8H10N (120)	C7H7 (91)	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。

KOX00053p	208 C11H14NO3	190 C11H12NO2	166 C9H12NO2	162 C10H12NO	149 C9H9O2	120 C8H10N	118 C8H8N	103 C8H7	93 C7H9	91 C7H7	79 C6H7	77 C6H5
208 C11H14NO3
190 C11H12NO2	H2O
166 C9H12NO2	C2H2O	C2
162 C10H12NO	CH2O2	CO
149 C9H9O2	C2H5NO	C2H3N	H3N
120 C8H10N	C3H4O3	C3H2O2	CH2O2	C2H2O
118 C8H8N	C3H6O3	C3H4O2	CH4O2	C2H4O		H2
103 C8H7	C3H7NO3	C3H5NO2	CH5NO2	C2H5NO	CH2O2	H3N	HN
93 C7H9	C4H5NO3	C4H3NO2	C2H3NO2	C3H3NO	C2O2	CHN
91 C7H7	C4H7NO3	C4H5NO2	C2H5NO2	C3H5NO	C2H2O2	CH3N	CHN	C	H2
79 C6H7	C5H7NO3	C5H5NO2	C3H5NO2	C4H5NO	C3H2O2	C2H3N	C2HN	C2	CH2	C
77 C6H5	C5H9NO3	C5H7NO2	C3H7NO2	C4H7NO	C3H4O2	C2H5N	C2H3N	C2H2	CH4	CH2	H2

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