MassBank:KOX00238p

General Index

All Molecules KOX PR PBX COX

Ion Frequency

Prec.-Product

Neutral Loss

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Etodolac

IDs and Links
MassBank	Etodolac
CAS
Keio ID	E034+

Top 10 Similar Molecules of Etodolac

Ranking	About scoring
KOX00879p Score:26.95 KOX00797p Score:26.95 KOX00377p Score:21.41 KOX00325p Score:21.41 KOX00798p Score:16.28 KOX00604p Score:16.28 KOX00582p Score:16.28 KOX00433p Score:16.28 KOX00424p Score:16.28 KOX00866p Score:12.99	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
C17H22NO3 (288)	C17H20NO2 (270)	e
C17H22NO3 (288)	C12H14N (172)	b+d
C17H22NO3 (288)	C11H10N (156)	b+h
C17H22NO3 (288)	C10H10N (144)	b+c
C17H22NO3 (288)	C10H9N (143)	b+c,rad.
C17H22NO3 (288)	C9H9 (117)	c+i
C12H14N (172)	C10H10N (144)	IT
C12H14N (172)	C10H9N (143)	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。

KOX00238p	288 C17H22NO3	270 C17H20NO2	224 C16H18N	210 C15H16N	180 C13H10N	172 C12H14N	156 C11H10N	144 C10H10N	143 C10H9N	130 C9H8N	127 C10H7	118 C8H8N	117 C9H9	91 C7H7
288 C17H22NO3
270 C17H20NO2	H2O
224 C16H18N	CH4O3	CH2O2
210 C15H16N	C2H6O3	C2H4O2	CH2
180 C13H10N	C4H12O3	C4H10O2	C3H8	C2H6
172 C12H14N	C5H8O3	C5H6O2	C4H4	C3H2
156 C11H10N	C6H12O3	C6H10O2	C5H8	C4H6	C2	CH4
144 C10H10N	C7H12O3	C7H10O2	C6H8	C5H6	C3	C2H4	C
143 C10H9N	C7H13O3	C7H11O2	C6H9	C5H7	C3H	C2H5	CH	H
130 C9H8N	C8H14O3	C8H12O2	C7H10	C6H8	C4H2	C3H6	C2H2	CH2	CH
127 C10H7	C7H15NO3	C7H13NO2	C6H11N	C5H9N	C3H3N	C2H7N	CH3N	H3N	H2N
118 C8H8N	C9H14O3	C9H12O2	C8H10	C7H8	C5H2	C4H6	C3H2	C2H2	C2H	C
117 C9H9	C8H13NO3	C8H11NO2	C7H9N	C6H7N	C4HN	C3H5N	C2HN	CHN	CN
91 C7H7	C10H15NO3	C10H13NO2	C9H11N	C8H9N	C6H3N	C5H7N	C4H3N	C3H3N	C3H2N	C2HN	C3	CHN	C2H2

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