MassBank:KOX00471p

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All Molecules KOX PR PBX COX

Ion Frequency

Prec.-Product

Neutral Loss

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Naproxen

IDs and Links
MassBank	Naproxen
CAS	22204-53-1
Keio ID	N018+

Top 10 Similar Molecules of Naproxen

Ranking	About scoring
KOX00879p Score:18.98 KOX00797p Score:18.98 KOX00807p Score:13.44 KOX00674p Score:13.44 KOX00900p Score:12.29 KOX00645p Score:12.29 KOX00856p Score:12.17 KOX00832p Score:11.25 KOX00808p Score:10.39 KOX00604p Score:10.39	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
C14H15O3 (231)	C13H13O (185)	b
C13H13O (185)	C12H10O (170)	IT
C13H13O (185)	C12H9 (153)	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。

KOX00471p	231 C14H15O3	214 C14H14O2	185 C13H13O	170 C12H10O	169 C12H9O	158 C10H6O2	153 C12H9	152 C12H8	142 C11H10	141 C11H9	129 C10H9	128 C10H8	127 C10H7	115 C9H7	91 C7H7	77 C6H5	57 C4H9	55 C4H7	51 C4H3
231 C14H15O3
214 C14H14O2	HO
185 C13H13O	CH2O2	CHO
170 C12H10O	C2H5O2	C2H4O	CH3
169 C12H9O	C2H6O2	C2H5O	CH4	H
158 C10H6O2	C4H9O	C4H8
153 C12H9	C2H6O3	C2H5O2	CH4O	HO	O
152 C12H8	C2H7O3	C2H6O2	CH5O	H2O	HO		H
142 C11H10	C3H5O3	C3H4O2	C2H3O	CO
141 C11H9	C3H6O3	C3H5O2	C2H4O	CHO	CO		C		H
129 C10H9	C4H6O3	C4H5O2	C3H4O	C2HO	C2O		C2		CH	C
128 C10H8	C4H7O3	C4H6O2	C3H5O	C2H2O	C2HO		C2H	C2	CH2	CH	H
127 C10H7	C4H8O3	C4H7O2	C3H6O	C2H3O	C2H2O		C2H2	C2H	CH3	CH2	H2	H
115 C9H7	C5H8O3	C5H7O2	C4H6O	C3H3O	C3H2O		C3H2	C3H	C2H3	C2H2	CH2	CH	C
91 C7H7	C7H8O3	C7H7O2	C6H6O	C5H3O	C5H2O		C5H2	C5H	C4H3	C4H2	C3H2	C3H	C3	C2
77 C6H5	C8H10O3	C8H9O2	C7H8O	C6H5O	C6H4O	C4HO2	C6H4	C6H3	C5H5	C5H4	C4H4	C4H3	C4H2	C3H2	CH2
57 C4H9	C10H6O3	C10H5O2	C9H4O	C8HO	C8O		C8		C7H	C7	C6
55 C4H7	C10H8O3	C10H7O2	C9H6O	C8H3O	C8H2O		C8H2	C8H	C7H3	C7H2	C6H2	C6H	C6	C5	C3		H2
51 C4H3	C10H12O3	C10H11O2	C9H10O	C8H7O	C8H6O	C6H3O2	C8H6	C8H5	C7H7	C7H6	C6H6	C6H5	C6H4	C5H4	C3H4	C2H2	H6	H4

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